data_6u6r_residue ############################ # Computer software used # ############################ 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 6u6r _Structure_validation_residue.Date_analyzed 2020-07-03 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 ' 40' ' ' LEU . . . . . 0.574 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 78.3 mt . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.852 0.358 . . . . 0.0 111.235 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.574 ' CD ' ' N ' ' A' ' 40' ' ' LEU . 93.2 Cg_exo -51.64 -38.66 66.12 Favored 'Trans proline' 0 N--CA 1.458 -0.573 0 C-N-CA 121.659 1.573 . . . . 0.0 111.158 177.542 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 70.3 p -77.67 -32.78 53.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.197 -176.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 92.2 mt -65.7 -35.97 82.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.223 172.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 70.0 mtp180 -66.36 -41.64 89.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.21 177.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -62.78 -39.91 95.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.174 174.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . . . -60.94 -38.72 86.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.209 176.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 80.4 mt -64.73 -36.21 83.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.186 178.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 95.4 mtp -61.4 -43.55 98.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.215 175.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -58.36 -48.26 81.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.166 175.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 54.1 t -59.41 -43.05 89.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.203 -178.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 51.8 mt -68.45 -41.96 79.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.172 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 42.8 t -56.52 -35.66 68.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.213 177.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -83.06 -31.45 27.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.218 -175.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 8.5 m-30 -74.51 -58.5 3.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.159 -175.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 31.5 m -108.22 13.58 8.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.251 -174.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 61.98 31.44 18.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.174 165.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 34.9 m -93.79 166.25 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.242 171.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 82.3 p -94.62 170.53 9.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.179 176.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 96.3 mt -62.04 -32.65 73.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.259 -179.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -69.01 -16.16 63.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.154 -178.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 62.7 m-80 -97.85 10.03 41.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.193 -177.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 75.3 mt -121.66 131.89 72.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.235 -179.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 90.5 mmt-85 -123.76 123.52 40.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.174 174.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 57.3 mt -128.95 128.16 67.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.182 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 47.6 t -157.34 149.61 22.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.139 -178.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -104.16 145.64 29.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.15 177.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -133.91 145.59 49.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.201 174.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -76.99 116.07 17.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 -178.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 69.4 tp60 -112.57 101.69 9.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.215 174.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 62.63 -128.0 0.62 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.177 -174.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -90.85 4.5 81.78 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.3 -0.72 . . . . 0.0 111.3 -179.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 76.7 mtm -125.02 171.76 9.98 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.855 0.359 . . . . 0.0 111.141 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -112.7 150.92 30.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.22 176.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 89.5 t -121.35 126.15 74.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.18 175.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.403 ' HB3' ' HB ' ' B' ' 79' ' ' ILE . 60.6 tp -89.61 126.69 35.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.218 174.02 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 48.7 tt0 -122.18 130.29 53.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.223 -174.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.466 ' HB2' ' HB2' ' B' ' 77' ' ' LEU . 5.5 mp -119.36 138.42 53.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.227 176.324 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -130.44 123.27 29.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.263 177.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.2 mp -122.0 123.97 70.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.23 -176.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 97.2 m -80.41 121.07 25.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.176 177.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 74.0 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.216 -178.784 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.841 0.353 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 44.2 p90 -95.89 -23.17 17.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.206 -178.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.583 ' N ' ' CD ' ' B' ' 41' ' ' PRO . 78.3 mt -69.67 -41.16 15.52 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.235 -173.342 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' PRO . . . . . 0.583 ' CD ' ' N ' ' B' ' 40' ' ' LEU . 93.2 Cg_exo -51.64 -38.66 66.12 Favored 'Trans proline' 0 N--CA 1.458 -0.573 0 C-N-CA 121.659 1.573 . . . . 0.0 111.158 177.542 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 70.3 p -77.67 -32.78 53.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.197 -176.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 92.2 mt -65.7 -35.97 82.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.223 172.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 70.0 mtp180 -66.36 -41.64 89.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.21 177.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -62.78 -39.91 95.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.174 174.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -60.94 -38.72 86.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.209 176.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 80.4 mt -64.73 -36.21 83.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.186 178.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 95.4 mtp -61.4 -43.55 98.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.215 175.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -58.36 -48.26 81.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.166 175.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 54.1 t -59.41 -43.05 89.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.203 -178.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 51.8 mt -68.45 -41.96 79.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.172 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 42.8 t -56.52 -35.66 68.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.213 177.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -83.06 -31.45 27.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.218 -175.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 8.5 m-30 -74.51 -58.5 3.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.159 -175.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 31.5 m -108.22 13.58 8.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.251 -174.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 61.98 31.44 18.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.174 165.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 34.9 m -93.79 166.25 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.242 171.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 82.3 p -94.62 170.53 9.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.179 176.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 96.3 mt -62.04 -32.65 73.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.259 -179.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -69.01 -16.16 63.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.154 -178.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 62.7 m-80 -97.85 10.03 41.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.193 -177.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 75.3 mt -121.66 131.89 72.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.235 -179.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 90.5 mmt-85 -123.76 123.52 40.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.174 174.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 57.3 mt -128.95 128.16 67.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.182 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 47.6 t -157.34 149.61 22.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.139 -178.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -104.16 145.64 29.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.15 177.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -133.91 145.59 49.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.201 174.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -76.99 116.07 17.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 -178.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 69.4 tp60 -112.57 101.69 9.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.215 174.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 62.63 -128.0 0.62 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.177 -174.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -90.85 4.5 81.78 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.3 -0.72 . . . . 0.0 111.3 -179.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 76.7 mtm -125.02 171.76 9.98 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.855 0.359 . . . . 0.0 111.141 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -112.7 150.92 30.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.22 176.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 89.5 t -121.35 126.15 74.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.18 175.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 60.6 tp -89.61 126.69 35.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.218 174.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 48.7 tt0 -122.18 130.29 53.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.223 -174.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . 0.466 ' HB2' ' HB2' ' A' ' 77' ' ' LEU . 5.5 mp -119.36 138.42 53.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.227 176.324 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -130.44 123.27 29.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.263 177.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . 0.403 ' HB ' ' HB3' ' A' ' 75' ' ' LEU . 5.2 mp -122.0 123.97 70.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.23 -176.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 97.2 m -80.41 121.07 25.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.176 177.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 74.0 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.216 -178.784 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.548 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 60.0 tp . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.828 0.346 . . . . 0.0 111.166 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.548 ' CD ' ' N ' ' A' ' 40' ' ' LEU . 80.1 Cg_exo -50.11 -42.69 45.48 Favored 'Trans proline' 0 N--CA 1.457 -0.63 0 C-N-CA 121.777 1.651 . . . . 0.0 111.146 178.164 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 93.2 m -66.46 -50.54 62.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.177 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 67.6 tp -52.03 -49.17 63.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.178 175.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 69.2 mtm180 -62.24 -44.92 95.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.215 -176.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -53.87 -51.66 62.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.246 177.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . . . -57.74 -42.75 84.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.232 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 91.0 mt -68.93 -35.45 76.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.188 -176.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 66.4 mtt -60.44 -44.01 96.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.21 173.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -61.98 -41.33 97.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.233 178.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 52.5 t -60.08 -44.42 94.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.209 177.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 82.2 mt -74.34 -34.37 63.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.224 -176.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 41.4 t -55.37 -45.77 76.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.175 172.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -79.42 -29.38 41.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.203 -172.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 4.7 m-30 -79.8 -52.79 7.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.238 -176.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.516 ' O ' HG12 ' A' ' 55' ' ' VAL . 87.4 t -90.28 -6.52 10.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.198 -173.594 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 55.9 t30 67.39 39.28 2.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.163 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.401 HG13 HG12 ' A' ' 55' ' ' VAL . 35.4 m -115.35 171.43 4.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.246 174.007 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 81.3 p -92.63 171.54 8.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.192 178.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 96.3 mt -62.18 -31.71 72.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.159 -178.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -72.06 -12.46 61.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.199 -176.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 57.3 m-80 -96.74 8.33 44.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.224 -179.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 34.9 mm -114.32 134.78 56.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.187 178.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 90.8 mmt-85 -125.09 123.22 39.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.2 173.041 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 60.2 mt -130.14 129.58 65.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.212 -179.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 44.4 t -148.28 140.79 24.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.224 -177.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -110.09 141.56 42.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.24 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -138.75 137.59 36.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.241 -177.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -95.19 126.25 40.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.161 178.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 70.3 tp60 -142.89 127.2 17.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.225 -176.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 61.46 23.1 13.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.187 -178.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 93.11 -2.28 71.47 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 173.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 61.9 mtt -116.89 154.28 31.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.751 0.31 . . . . 0.0 111.176 -178.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -101.51 133.2 46.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.225 -176.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 88.2 t -127.05 130.41 71.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.166 175.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 40.2 tp -100.1 137.02 39.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.218 179.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 61.4 tt0 -123.79 131.53 53.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.181 -175.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.487 ' HB2' ' HB2' ' B' ' 77' ' ' LEU . 5.4 mp -122.17 140.11 52.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.152 177.248 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -130.62 131.75 45.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.185 176.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.0 mp -120.35 118.88 58.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.225 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 99.8 m -92.25 118.55 30.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.205 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 62.6 tp . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.232 174.765 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.774 0.321 . . . . 0.0 111.248 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -95.83 123.68 39.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.151 -175.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.538 ' N ' ' CD ' ' B' ' 41' ' ' PRO . 60.0 tp -65.57 -42.84 59.02 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.166 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' PRO . . . . . 0.538 ' CD ' ' N ' ' B' ' 40' ' ' LEU . 80.1 Cg_exo -50.11 -42.69 45.48 Favored 'Trans proline' 0 N--CA 1.457 -0.63 0 C-N-CA 121.777 1.651 . . . . 0.0 111.146 178.164 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 93.2 m -66.46 -50.54 62.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.177 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 67.6 tp -52.03 -49.17 63.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.178 175.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 69.2 mtm180 -62.24 -44.92 95.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.215 -176.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -53.87 -51.66 62.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.246 177.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -57.74 -42.75 84.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.232 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 91.0 mt -68.93 -35.45 76.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.188 -176.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 66.4 mtt -60.44 -44.01 96.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.21 173.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -61.98 -41.33 97.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.233 178.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 52.5 t -60.08 -44.42 94.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.209 177.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 82.2 mt -74.34 -34.37 63.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.224 -176.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 41.4 t -55.37 -45.77 76.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.175 172.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -79.42 -29.38 41.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.203 -172.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 4.7 m-30 -79.8 -52.79 7.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.238 -176.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . 0.519 ' O ' HG12 ' B' ' 55' ' ' VAL . 87.4 t -90.28 -6.52 10.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.198 -173.594 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 55.9 t30 67.39 39.28 2.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.163 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 35.4 m -115.35 171.43 4.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.246 174.007 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 81.3 p -92.63 171.54 8.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.192 178.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 96.3 mt -62.18 -31.71 72.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.159 -178.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -72.06 -12.46 61.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.199 -176.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 57.3 m-80 -96.74 8.33 44.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.224 -179.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 34.9 mm -114.32 134.78 56.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.187 178.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 90.8 mmt-85 -125.09 123.22 39.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.2 173.041 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 60.2 mt -130.14 129.58 65.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.212 -179.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 44.4 t -148.28 140.79 24.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.224 -177.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -110.09 141.56 42.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.24 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -138.75 137.59 36.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.241 -177.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -95.19 126.25 40.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.161 178.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 70.3 tp60 -142.89 127.2 17.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.225 -176.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 61.46 23.1 13.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.187 -178.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . 93.11 -2.28 71.47 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 173.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 61.9 mtt -116.89 154.28 31.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.751 0.31 . . . . 0.0 111.176 -178.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -101.51 133.2 46.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.225 -176.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 88.2 t -127.05 130.41 71.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.166 175.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 40.2 tp -100.1 137.02 39.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.218 179.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 61.4 tt0 -123.79 131.53 53.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.181 -175.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . 0.487 ' HB2' ' HB2' ' A' ' 77' ' ' LEU . 5.4 mp -122.17 140.11 52.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.152 177.248 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -130.62 131.75 45.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.185 176.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 5.0 mp -120.35 118.88 58.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.225 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 99.8 m -92.25 118.55 30.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.205 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 62.6 tp . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.232 174.765 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.561 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 83.7 mt . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.746 0.308 . . . . 0.0 111.146 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.561 ' CD ' ' N ' ' A' ' 40' ' ' LEU . 71.9 Cg_exo -50.48 -46.53 28.95 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 121.691 1.594 . . . . 0.0 111.222 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 94.1 m -70.72 -41.98 71.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.18 178.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 95.9 mt -61.78 -32.65 72.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.209 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 71.8 mtp180 -65.51 -45.29 84.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.211 177.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -60.36 -46.33 90.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.203 174.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . . . -59.36 -41.27 88.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.214 179.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 44.1 tp -64.02 -42.25 97.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.179 -179.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 97.8 mtp -57.3 -45.64 83.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.233 175.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -61.12 -42.53 98.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.222 -179.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 52.7 t -59.2 -41.89 85.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.219 177.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 44.3 tp -68.75 -42.06 78.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.253 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 80.3 p -62.78 -26.67 68.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -78.77 -33.85 46.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.209 176.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 9.3 m-30 -62.72 -42.21 99.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.189 -178.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.413 HG23 HG22 ' A' ' 57' ' ' VAL . 27.5 m -113.44 6.4 7.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.187 -178.333 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 58.99 42.49 19.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.237 169.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.413 HG22 HG23 ' A' ' 55' ' ' VAL . 25.9 m -110.42 -168.4 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.193 174.389 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 28.9 t -105.17 161.46 14.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.257 178.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 95.7 mt -67.92 -14.93 63.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.211 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -67.83 -21.15 65.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.203 179.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -97.7 8.31 44.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.166 -178.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 79.1 mt -124.07 136.45 60.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.173 -176.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 90.8 mmt-85 -129.81 142.27 50.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.221 176.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.433 ' HA ' ' O ' ' A' ' 76' ' ' GLU . 19.2 tt -143.68 137.38 24.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.249 177.065 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 45.8 t -142.31 148.88 38.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.279 -173.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -112.1 132.61 54.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.202 175.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -140.69 139.54 34.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.243 -178.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -92.7 125.45 37.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.18 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 70.3 tp60 -142.36 123.65 14.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.206 -177.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 61.09 28.64 18.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.227 179.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 95.13 -15.89 62.44 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 175.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 90.2 mmm -102.33 152.02 21.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.814 0.34 . . . . 0.0 111.186 -174.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -100.54 119.13 38.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.133 178.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 86.6 t -115.72 129.5 71.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.207 -174.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 81.9 mt -93.79 140.27 29.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.227 173.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.433 ' O ' ' HA ' ' A' ' 64' ' ' ILE . 68.8 tt0 -127.0 118.19 23.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.224 178.496 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.458 ' HB3' ' HB3' ' B' ' 77' ' ' LEU . 53.0 tp -114.65 124.86 52.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.16 -178.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -125.72 143.47 51.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.239 -176.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 20.2 tt -142.26 136.42 28.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.147 174.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 97.4 m -97.32 116.85 30.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.206 178.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 78.1 mt . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.204 -178.394 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.791 0.329 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -114.09 125.2 53.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.146 -179.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.565 ' N ' ' CD ' ' B' ' 41' ' ' PRO . 83.7 mt -64.17 -41.91 64.62 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 -171.62 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' PRO . . . . . 0.565 ' CD ' ' N ' ' B' ' 40' ' ' LEU . 71.9 Cg_exo -50.48 -46.53 28.95 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 121.691 1.594 . . . . 0.0 111.222 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 94.1 m -70.72 -41.98 71.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.18 178.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 95.9 mt -61.78 -32.65 72.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.209 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 71.8 mtp180 -65.51 -45.29 84.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.211 177.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -60.36 -46.33 90.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.203 174.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -59.36 -41.27 88.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.214 179.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 44.1 tp -64.02 -42.25 97.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.179 -179.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 97.8 mtp -57.3 -45.64 83.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.233 175.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -61.12 -42.53 98.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.222 -179.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 52.7 t -59.2 -41.89 85.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.219 177.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 44.3 tp -68.75 -42.06 78.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.253 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 80.3 p -62.78 -26.67 68.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -78.77 -33.85 46.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.209 176.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 9.3 m-30 -62.72 -42.21 99.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.189 -178.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . 0.424 HG23 HG22 ' B' ' 57' ' ' VAL . 27.5 m -113.44 6.4 7.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.187 -178.333 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 58.99 42.49 19.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.237 169.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . 0.424 HG22 HG23 ' B' ' 55' ' ' VAL . 25.9 m -110.42 -168.4 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.193 174.389 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 28.9 t -105.17 161.46 14.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.257 178.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 95.7 mt -67.92 -14.93 63.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.211 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -67.83 -21.15 65.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.203 179.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -97.7 8.31 44.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.166 -178.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 79.1 mt -124.07 136.45 60.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.173 -176.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 90.8 mmt-85 -129.81 142.27 50.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.221 176.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . 0.435 ' HA ' ' O ' ' B' ' 76' ' ' GLU . 19.2 tt -143.68 137.38 24.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.249 177.065 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 45.8 t -142.31 148.88 38.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.279 -173.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -112.1 132.61 54.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.202 175.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -140.69 139.54 34.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.243 -178.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -92.7 125.45 37.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.18 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 70.3 tp60 -142.36 123.65 14.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.206 -177.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 61.09 28.64 18.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.227 179.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . 95.13 -15.89 62.44 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 175.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 90.2 mmm -102.33 152.02 21.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.814 0.34 . . . . 0.0 111.186 -174.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -100.54 119.13 38.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.133 178.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 86.6 t -115.72 129.5 71.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.207 -174.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 81.9 mt -93.79 140.27 29.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.227 173.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . 0.435 ' O ' ' HA ' ' B' ' 64' ' ' ILE . 68.8 tt0 -127.0 118.19 23.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.224 178.496 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . 0.458 ' HB3' ' HB3' ' A' ' 77' ' ' LEU . 53.0 tp -114.65 124.86 52.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.16 -178.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -125.72 143.47 51.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.239 -176.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 20.2 tt -142.26 136.42 28.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.147 174.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 97.4 m -97.32 116.85 30.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.206 178.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 78.1 mt . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.204 -178.394 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.571 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 54.2 tp . . . . . 0 CA--C 1.523 -0.081 0 CA-C-O 120.808 0.337 . . . . 0.0 111.221 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.571 ' CD ' ' N ' ' A' ' 40' ' ' LEU . 85.0 Cg_exo -52.78 -35.24 68.63 Favored 'Trans proline' 0 N--CA 1.459 -0.548 0 C-N-CA 121.691 1.594 . . . . 0.0 111.18 177.041 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 60.4 p -75.63 -33.91 60.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.225 -177.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 89.5 mt -64.61 -40.32 95.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.212 169.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 77.7 mtp180 -64.93 -40.19 94.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.2 178.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -65.69 -40.53 92.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.243 175.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . . . -61.72 -37.5 84.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.16 177.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 77.6 mt -64.75 -44.66 89.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.178 176.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 98.9 mtp -58.65 -39.85 81.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.196 176.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -56.28 -56.44 21.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.143 178.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 28.6 m -70.29 -25.76 27.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.179 -172.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.2 mp -69.86 -39.91 76.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.2 173.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 82.7 p -65.66 -29.96 70.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.175 178.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -79.12 -35.88 41.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.176 -173.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -80.26 -39.93 27.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.163 -175.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.531 ' O ' HG12 ' A' ' 55' ' ' VAL . 66.0 t -96.78 -4.85 9.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.199 -176.389 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 64.04 34.23 11.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.187 175.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.472 HG13 HG12 ' A' ' 55' ' ' VAL . 29.2 m -105.08 175.24 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.209 173.437 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 79.0 p -98.82 168.22 10.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.169 176.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 95.3 mt -64.13 -27.24 68.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.23 -179.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -69.97 -17.31 63.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.159 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 63.0 m-80 -99.79 9.23 43.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.172 -179.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 85.4 mt -119.84 136.05 58.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.24 -178.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 90.1 mmt-85 -123.1 148.32 45.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.169 174.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 19.4 tt -152.88 130.3 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.199 -178.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.2 t -159.87 145.11 15.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.264 -178.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -106.14 140.34 39.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.228 178.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -136.23 141.23 43.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.205 -176.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -97.63 121.11 39.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.226 179.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 69.5 tp60 -138.86 125.49 20.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.198 -178.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 61.23 27.53 17.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.184 -179.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 92.68 -15.76 61.78 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 176.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 95.3 mtp -101.72 148.28 25.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.773 0.32 . . . . 0.0 111.196 -173.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -100.43 127.8 46.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.228 -179.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 96.3 t -123.6 124.48 69.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.203 177.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 55.1 tp -92.34 128.48 38.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.224 174.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 58.7 tt0 -118.42 132.2 56.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.176 -174.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.427 ' HB2' ' HB2' ' B' ' 77' ' ' LEU . 4.4 mp -121.92 141.86 50.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.221 175.592 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -133.05 135.03 45.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.241 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 88.2 mt -118.0 117.22 54.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.181 172.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 97.4 m -92.8 118.44 31.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.251 -176.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 81.7 mt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.225 176.49 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.8 0.333 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -99.81 18.24 18.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.255 176.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.576 ' N ' ' CD ' ' B' ' 41' ' ' PRO . 54.2 tp -71.22 -42.03 11.27 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.221 175.528 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' PRO . . . . . 0.576 ' CD ' ' N ' ' B' ' 40' ' ' LEU . 85.0 Cg_exo -52.78 -35.24 68.63 Favored 'Trans proline' 0 N--CA 1.459 -0.548 0 C-N-CA 121.691 1.594 . . . . 0.0 111.18 177.041 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 60.4 p -75.63 -33.91 60.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.225 -177.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 89.5 mt -64.61 -40.32 95.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.212 169.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 77.7 mtp180 -64.93 -40.19 94.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.2 178.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -65.69 -40.53 92.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.243 175.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -61.72 -37.5 84.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.16 177.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 77.6 mt -64.75 -44.66 89.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.178 176.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 98.9 mtp -58.65 -39.85 81.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.196 176.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -56.28 -56.44 21.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.143 178.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 28.6 m -70.29 -25.76 27.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.179 -172.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 6.2 mp -69.86 -39.91 76.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.2 173.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 82.7 p -65.66 -29.96 70.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.175 178.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -79.12 -35.88 41.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.176 -173.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -80.26 -39.93 27.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.163 -175.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . 0.526 ' O ' HG12 ' B' ' 55' ' ' VAL . 66.0 t -96.78 -4.85 9.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.199 -176.389 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 64.04 34.23 11.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.187 175.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . 0.472 HG13 HG12 ' B' ' 55' ' ' VAL . 29.2 m -105.08 175.24 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.209 173.437 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 79.0 p -98.82 168.22 10.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.169 176.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 95.3 mt -64.13 -27.24 68.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.23 -179.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -69.97 -17.31 63.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.159 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 63.0 m-80 -99.79 9.23 43.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.172 -179.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 85.4 mt -119.84 136.05 58.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.24 -178.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 90.1 mmt-85 -123.1 148.32 45.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.169 174.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 19.4 tt -152.88 130.3 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.199 -178.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 48.2 t -159.87 145.11 15.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.264 -178.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -106.14 140.34 39.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.228 178.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -136.23 141.23 43.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.205 -176.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -97.63 121.11 39.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.226 179.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 69.5 tp60 -138.86 125.49 20.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.198 -178.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 61.23 27.53 17.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.184 -179.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . 92.68 -15.76 61.78 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 176.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 95.3 mtp -101.72 148.28 25.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.773 0.32 . . . . 0.0 111.196 -173.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -100.43 127.8 46.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.228 -179.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 96.3 t -123.6 124.48 69.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.203 177.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 55.1 tp -92.34 128.48 38.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.224 174.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 58.7 tt0 -118.42 132.2 56.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.176 -174.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . 0.427 ' HB2' ' HB2' ' A' ' 77' ' ' LEU . 4.4 mp -121.92 141.86 50.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.221 175.592 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -133.05 135.03 45.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.241 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 88.2 mt -118.0 117.22 54.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.181 172.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 97.4 m -92.8 118.44 31.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.251 -176.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 81.7 mt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.225 176.49 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.58 ' HB3' ' HD3' ' A' ' 41' ' ' PRO . 60.8 tp . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.836 0.35 . . . . 0.0 111.225 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.58 ' HD3' ' HB3' ' A' ' 40' ' ' LEU . 70.0 Cg_exo -48.3 -39.42 35.14 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 121.669 1.58 . . . . 0.0 111.205 177.146 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 97.3 m -70.62 -41.33 72.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.218 176.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 87.5 mt -59.25 -33.63 71.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.192 177.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -65.01 -47.63 76.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.195 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.02 -37.68 88.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.199 175.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . . . -59.5 -40.74 88.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.147 175.134 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 79.0 mt -67.53 -36.3 80.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.222 178.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 68.0 mtt -56.97 -48.63 77.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.169 173.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 61.9 tt0 -54.04 -47.97 71.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.192 174.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 52.8 t -59.81 -41.89 87.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.194 -176.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 85.7 mt -73.56 -36.96 65.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.21 -176.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 82.6 p -67.07 -22.16 65.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.219 178.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -92.29 -31.38 15.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.19 177.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 7.3 m-30 -77.58 -60.36 2.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.164 -178.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.61 ' O ' HG12 ' A' ' 55' ' ' VAL . 84.4 t -95.94 0.17 10.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.215 -173.604 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 47.1 t30 64.05 28.9 14.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.173 175.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 32.9 m -90.69 168.65 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.17 174.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 77.9 p -102.48 174.01 6.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.194 176.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 96.4 mt -60.86 -33.54 73.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.103 -179.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -67.88 -17.1 64.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.164 -179.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 64.1 m-80 -103.53 10.77 36.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.194 -177.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 84.0 mt -121.18 126.46 75.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.225 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 89.8 mmt-85 -123.2 126.19 46.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.158 175.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 71.3 mt -124.47 128.21 73.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.215 178.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 17.5 t -139.55 -167.05 2.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.207 -176.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -167.43 136.78 2.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.246 -176.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.2 pt-20 -142.36 156.7 45.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.195 178.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -93.32 115.27 27.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.23 -179.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -109.56 105.5 14.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.166 176.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 62.02 -131.82 0.61 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.235 -169.148 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -92.65 10.07 74.67 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -179.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 56.1 mtt -118.72 157.59 27.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.877 0.37 . . . . 0.0 111.154 178.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -109.22 142.19 40.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.198 174.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 90.6 t -123.96 122.54 64.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.176 -178.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.444 ' HB2' ' HB ' ' B' ' 79' ' ' ILE . 84.8 mt -77.66 147.61 35.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.229 170.071 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 58.8 tt0 -133.69 129.22 36.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.215 -179.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.432 ' HB2' ' HB2' ' B' ' 77' ' ' LEU . 5.2 mp -121.32 137.18 54.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.207 174.671 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -126.05 129.49 49.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.21 177.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.425 ' HB ' ' HB2' ' B' ' 75' ' ' LEU . 5.0 mp -121.26 115.56 47.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.171 -179.454 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 98.5 m -90.17 119.82 30.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.208 -175.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 59.4 tp . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.256 173.545 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.796 0.331 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -89.67 -43.37 10.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.228 -177.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.589 ' HB3' ' HD3' ' B' ' 41' ' ' PRO . 60.8 tp -57.41 -45.63 99.87 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.225 -176.056 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' PRO . . . . . 0.589 ' HD3' ' HB3' ' B' ' 40' ' ' LEU . 70.0 Cg_exo -48.3 -39.42 35.14 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 121.669 1.58 . . . . 0.0 111.205 177.146 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 97.3 m -70.62 -41.33 72.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.218 176.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 87.5 mt -59.25 -33.63 71.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.192 177.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -65.01 -47.63 76.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.195 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.02 -37.68 88.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.199 175.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -59.5 -40.74 88.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.147 175.134 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 79.0 mt -67.53 -36.3 80.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.222 178.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 68.0 mtt -56.97 -48.63 77.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.169 173.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 61.9 tt0 -54.04 -47.97 71.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.192 174.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 52.8 t -59.81 -41.89 87.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.194 -176.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 85.7 mt -73.56 -36.96 65.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.21 -176.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 82.6 p -67.07 -22.16 65.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.219 178.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -92.29 -31.38 15.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.19 177.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 7.3 m-30 -77.58 -60.36 2.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.164 -178.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . 0.597 ' O ' HG12 ' B' ' 55' ' ' VAL . 84.4 t -95.94 0.17 10.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.215 -173.604 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 47.1 t30 64.05 28.9 14.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.173 175.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 32.9 m -90.69 168.65 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.17 174.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 77.9 p -102.48 174.01 6.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.194 176.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 96.4 mt -60.86 -33.54 73.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.103 -179.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -67.88 -17.1 64.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.164 -179.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 64.1 m-80 -103.53 10.77 36.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.194 -177.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 84.0 mt -121.18 126.46 75.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.225 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 89.8 mmt-85 -123.2 126.19 46.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.158 175.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 71.3 mt -124.47 128.21 73.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.215 178.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 17.5 t -139.55 -167.05 2.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.207 -176.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -167.43 136.78 2.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.246 -176.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 27.2 pt-20 -142.36 156.7 45.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.195 178.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -93.32 115.27 27.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.23 -179.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -109.56 105.5 14.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.166 176.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 62.02 -131.82 0.61 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.235 -169.148 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -92.65 10.07 74.67 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -179.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 56.1 mtt -118.72 157.59 27.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.877 0.37 . . . . 0.0 111.154 178.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -109.22 142.19 40.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.198 174.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 90.6 t -123.96 122.54 64.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.176 -178.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . 0.425 ' HB2' ' HB ' ' A' ' 79' ' ' ILE . 84.8 mt -77.66 147.61 35.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.229 170.071 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 58.8 tt0 -133.69 129.22 36.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.215 -179.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . 0.432 ' HB2' ' HB2' ' A' ' 77' ' ' LEU . 5.2 mp -121.32 137.18 54.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.207 174.671 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -126.05 129.49 49.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.21 177.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . 0.444 ' HB ' ' HB2' ' A' ' 75' ' ' LEU . 5.0 mp -121.26 115.56 47.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.171 -179.454 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 98.5 m -90.17 119.82 30.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.208 -175.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 59.4 tp . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.256 173.545 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.545 ' HB3' ' HD3' ' A' ' 41' ' ' PRO . 56.7 tp . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.847 0.356 . . . . 0.0 111.235 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.545 ' HD3' ' HB3' ' A' ' 40' ' ' LEU . 79.1 Cg_exo -50.05 -40.43 50.21 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 121.775 1.65 . . . . 0.0 111.201 178.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 98.8 m -69.97 -43.11 72.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.208 177.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 94.2 mt -59.15 -37.74 78.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.215 177.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 77.1 mtp180 -64.96 -45.83 84.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.215 -179.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.89 -42.0 97.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.293 176.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . . . -57.94 -47.53 82.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.203 177.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 89.3 mt -64.29 -36.69 84.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.263 -179.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 58.1 ttm -59.69 -46.82 87.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.175 176.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -56.27 -48.37 76.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.204 173.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 50.7 t -57.45 -41.66 79.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.21 -178.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 81.4 mt -64.24 -46.37 84.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.161 179.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 87.3 p -63.76 -26.19 68.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.231 -174.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -98.42 -41.62 7.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.201 -174.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 7.2 m-30 -81.38 -58.33 3.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.222 -178.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.427 ' O ' ' HB2' ' A' ' 56' ' ' ASN . 74.2 t -67.39 -20.09 26.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.164 -174.724 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.427 ' HB2' ' O ' ' A' ' 55' ' ' VAL . 74.8 m-80 66.21 82.87 0.18 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.221 -172.687 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.2 p -163.37 152.96 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.252 -169.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.2 t -85.9 149.95 24.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.187 -178.19 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 96.1 mt -58.94 -33.86 71.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.267 179.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -62.54 -23.03 66.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.206 179.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -98.6 10.82 40.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.237 -176.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 90.9 mt -113.37 127.59 70.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.202 179.14 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 90.4 mmt-85 -123.76 120.73 33.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.192 173.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 77.9 mt -122.48 123.47 68.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.236 177.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 17.3 t -139.84 -166.93 2.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.206 -173.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -156.8 134.3 10.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.23 -175.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.8 pt-20 -129.85 160.24 34.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.199 177.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -91.09 126.04 36.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.152 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . 0.436 ' O ' ' HB2' ' A' ' 70' ' ' ASP . 65.6 tp60 -128.25 109.47 11.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.241 173.74 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.436 ' HB2' ' O ' ' A' ' 69' ' ' GLN . 43.9 m-20 69.19 -126.75 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.178 -176.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -100.98 18.97 53.96 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 178.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 21.6 ptp -141.94 173.17 11.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.822 0.344 . . . . 0.0 111.212 178.313 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -110.21 160.43 16.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.174 178.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 90.6 t -125.51 132.74 70.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.158 179.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 57.1 tp -88.6 128.34 35.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.149 178.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 71.2 tt0 -123.98 126.21 45.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.19 -172.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.433 ' HB2' ' HB2' ' B' ' 77' ' ' LEU . 5.3 mp -120.91 129.45 53.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.184 177.048 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 75.5 m-80 -124.44 119.38 29.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.178 179.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.2 mp -117.7 116.94 53.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.225 -177.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 94.3 m -78.55 121.09 24.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.156 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 71.4 mt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.159 -176.453 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.821 0.343 . . . . 0.0 111.234 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -82.17 -32.61 29.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.163 -178.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.559 ' HB3' ' HD3' ' B' ' 41' ' ' PRO . 56.7 tp -63.44 -44.27 81.48 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.235 -167.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' PRO . . . . . 0.559 ' HD3' ' HB3' ' B' ' 40' ' ' LEU . 79.1 Cg_exo -50.05 -40.43 50.21 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 121.775 1.65 . . . . 0.0 111.201 178.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 98.8 m -69.97 -43.11 72.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.208 177.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 94.2 mt -59.15 -37.74 78.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.215 177.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 77.1 mtp180 -64.96 -45.83 84.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.215 -179.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.89 -42.0 97.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.293 176.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -57.94 -47.53 82.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.203 177.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 89.3 mt -64.29 -36.69 84.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.263 -179.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 58.1 ttm -59.69 -46.82 87.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.175 176.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -56.27 -48.37 76.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.204 173.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 50.7 t -57.45 -41.66 79.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.21 -178.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 81.4 mt -64.24 -46.37 84.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.161 179.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 87.3 p -63.76 -26.19 68.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.231 -174.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -98.42 -41.62 7.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.201 -174.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 7.2 m-30 -81.38 -58.33 3.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.222 -178.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . 0.424 ' O ' ' HB2' ' B' ' 56' ' ' ASN . 74.2 t -67.39 -20.09 26.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.164 -174.724 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' ASN . . . . . 0.424 ' HB2' ' O ' ' B' ' 55' ' ' VAL . 74.8 m-80 66.21 82.87 0.18 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.221 -172.687 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 12.2 p -163.37 152.96 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.252 -169.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 29.2 t -85.9 149.95 24.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.187 -178.19 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 96.1 mt -58.94 -33.86 71.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.267 179.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -62.54 -23.03 66.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.206 179.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -98.6 10.82 40.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.237 -176.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 90.9 mt -113.37 127.59 70.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.202 179.14 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 90.4 mmt-85 -123.76 120.73 33.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.192 173.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 77.9 mt -122.48 123.47 68.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.236 177.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 17.3 t -139.84 -166.93 2.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.206 -173.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -156.8 134.3 10.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.23 -175.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 24.8 pt-20 -129.85 160.24 34.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.199 177.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -91.09 126.04 36.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.152 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' GLN . . . . . 0.441 ' O ' ' HB2' ' B' ' 70' ' ' ASP . 65.6 tp60 -128.25 109.47 11.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.241 173.74 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.441 ' HB2' ' O ' ' B' ' 69' ' ' GLN . 43.9 m-20 69.19 -126.75 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.178 -176.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -100.98 18.97 53.96 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 178.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 21.6 ptp -141.94 173.17 11.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.822 0.344 . . . . 0.0 111.212 178.313 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -110.21 160.43 16.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.174 178.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 90.6 t -125.51 132.74 70.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.158 179.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 57.1 tp -88.6 128.34 35.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.149 178.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 71.2 tt0 -123.98 126.21 45.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.19 -172.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . 0.433 ' HB2' ' HB2' ' A' ' 77' ' ' LEU . 5.3 mp -120.91 129.45 53.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.184 177.048 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 75.5 m-80 -124.44 119.38 29.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.178 179.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 5.2 mp -117.7 116.94 53.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.225 -177.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 94.3 m -78.55 121.09 24.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.156 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 71.4 mt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.159 -176.453 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.59 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 86.7 mt . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.784 0.326 . . . . 0.0 111.184 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.59 ' CD ' ' N ' ' A' ' 40' ' ' LEU . 75.5 Cg_exo -51.05 -33.5 43.28 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 121.73 1.62 . . . . 0.0 111.19 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 71.7 p -91.29 -30.07 16.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.232 -179.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 66.9 tp -54.52 -41.36 69.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.16 170.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 75.5 mtp180 -58.05 -49.97 75.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.224 -176.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.58 -40.12 95.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.178 179.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . . . -58.34 -47.58 83.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.217 177.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 94.1 mt -60.8 -35.99 77.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.237 179.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 98.8 mtp -61.97 -48.15 81.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.214 175.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -55.54 -45.9 77.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.188 175.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 55.9 t -53.6 -49.28 56.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.173 179.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 92.6 mt -63.2 -36.75 84.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.214 -176.186 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 60.1 p -65.52 -15.89 63.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.194 -176.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -94.35 -37.65 11.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.216 177.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -75.9 -59.85 2.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.221 -177.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.5 m -103.36 8.29 9.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.207 -171.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 54.75 23.21 4.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.194 172.031 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 74.7 t -85.56 148.77 4.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.161 170.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 28.8 t -94.27 153.11 18.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.186 -166.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 95.7 mt -57.6 -28.34 63.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.222 -179.258 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -73.87 -25.93 60.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.248 175.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -103.16 7.92 38.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.174 -176.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 96.7 mt -104.84 136.24 39.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.201 174.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 89.9 mmt-85 -121.42 143.82 49.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.208 173.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 19.6 tt -152.88 128.78 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.242 -178.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.0 t -141.52 129.27 21.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.226 -175.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -84.26 119.15 24.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.194 177.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -115.92 179.82 3.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.214 -178.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -127.9 133.83 49.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.219 178.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 69.8 tp60 -140.63 121.21 14.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.192 171.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 60.14 -134.0 0.79 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.218 -171.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -98.05 16.91 59.49 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.141 -0.783 . . . . 0.0 111.141 -178.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 72.9 mtm -128.51 161.93 28.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.758 0.314 . . . . 0.0 111.234 175.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -92.84 146.65 23.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.261 174.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 74.7 t -118.63 107.45 21.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.214 175.246 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 62.1 tp -87.26 121.26 29.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.267 179.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -106.75 129.01 54.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.188 -172.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.5 mp -119.81 131.77 55.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.184 177.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -117.43 120.81 39.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.212 -178.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 83.0 mt -107.58 127.36 63.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.154 -176.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 97.1 m -78.42 112.3 15.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.208 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 62.1 mt . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.206 -178.269 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.74 0.305 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -73.28 -50.15 23.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.213 -179.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.59 ' N ' ' CD ' ' B' ' 41' ' ' PRO . 86.7 mt -63.47 -40.08 55.14 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.184 -161.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' PRO . . . . . 0.59 ' CD ' ' N ' ' B' ' 40' ' ' LEU . 75.5 Cg_exo -51.05 -33.5 43.28 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 121.73 1.62 . . . . 0.0 111.19 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 71.7 p -91.29 -30.07 16.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.232 -179.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 66.9 tp -54.52 -41.36 69.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.16 170.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 75.5 mtp180 -58.05 -49.97 75.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.224 -176.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.58 -40.12 95.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.178 179.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -58.34 -47.58 83.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.217 177.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 94.1 mt -60.8 -35.99 77.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.237 179.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 98.8 mtp -61.97 -48.15 81.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.214 175.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -55.54 -45.9 77.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.188 175.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 55.9 t -53.6 -49.28 56.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.173 179.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 92.6 mt -63.2 -36.75 84.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.214 -176.186 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 60.1 p -65.52 -15.89 63.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.194 -176.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -94.35 -37.65 11.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.216 177.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -75.9 -59.85 2.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.221 -177.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 34.5 m -103.36 8.29 9.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.207 -171.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 54.75 23.21 4.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.194 172.031 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 74.7 t -85.56 148.77 4.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.161 170.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 28.8 t -94.27 153.11 18.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.186 -166.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 95.7 mt -57.6 -28.34 63.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.222 -179.258 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -73.87 -25.93 60.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.248 175.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -103.16 7.92 38.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.174 -176.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 96.7 mt -104.84 136.24 39.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.201 174.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 89.9 mmt-85 -121.42 143.82 49.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.208 173.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 19.6 tt -152.88 128.78 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.242 -178.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 48.0 t -141.52 129.27 21.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.226 -175.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -84.26 119.15 24.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.194 177.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -115.92 179.82 3.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.214 -178.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -127.9 133.83 49.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.219 178.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 69.8 tp60 -140.63 121.21 14.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.192 171.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 60.14 -134.0 0.79 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.218 -171.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -98.05 16.91 59.49 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.141 -0.783 . . . . 0.0 111.141 -178.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 72.9 mtm -128.51 161.93 28.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.758 0.314 . . . . 0.0 111.234 175.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -92.84 146.65 23.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.261 174.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 74.7 t -118.63 107.45 21.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.214 175.246 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 62.1 tp -87.26 121.26 29.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.267 179.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -106.75 129.01 54.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.188 -172.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 5.5 mp -119.81 131.77 55.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.184 177.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -117.43 120.81 39.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.212 -178.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 83.0 mt -107.58 127.36 63.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.154 -176.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 97.1 m -78.42 112.3 15.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.208 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 62.1 mt . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.206 -178.269 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.578 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 96.9 mt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.8 0.333 . . . . 0.0 111.192 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.578 ' CD ' ' N ' ' A' ' 40' ' ' LEU . 87.0 Cg_exo -50.56 -41.08 54.17 Favored 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 121.73 1.62 . . . . 0.0 111.174 177.588 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 99.1 m -69.19 -46.11 68.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.228 177.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.7 tp -50.52 -47.53 57.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.245 173.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -61.32 -45.84 92.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.259 -175.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -61.25 -42.51 98.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.177 178.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . . . -59.45 -42.29 91.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.166 177.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 92.9 mt -66.44 -39.25 88.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.192 -179.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 65.0 ttp -58.96 -48.96 79.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.208 175.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -51.91 -48.92 63.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.254 176.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.403 HG11 HG11 ' B' ' 50' ' ' VAL . 47.6 t -56.89 -44.67 82.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.257 -177.054 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 96.8 mt -73.14 -36.97 66.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.217 -174.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 40.5 t -61.06 -38.12 85.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.172 176.178 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -86.95 -30.77 21.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.173 -174.032 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 5.5 m-30 -76.39 -59.2 2.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.219 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.6 ' O ' HG12 ' A' ' 55' ' ' VAL . 59.0 t -88.56 0.69 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 -172.027 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 22.4 t30 66.85 21.62 10.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.231 176.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.409 HG13 HG12 ' A' ' 55' ' ' VAL . 35.3 m -94.77 174.36 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.204 175.251 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 51.5 p -108.47 -179.97 4.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.216 173.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.7 pp -63.99 -21.71 66.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.191 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -68.44 -23.96 64.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.225 -179.594 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -103.48 11.12 36.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.168 -177.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 88.0 mt -119.46 120.62 64.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.182 -177.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.441 ' HB3' ' HB2' ' A' ' 78' ' ' ASN . 46.4 ttp180 -111.45 135.33 52.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.219 175.325 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 79.7 mt -121.62 119.5 59.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.214 178.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 40.6 t -129.06 145.74 51.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.195 -175.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -134.61 126.98 30.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.204 176.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -132.5 137.44 47.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.212 -175.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -87.87 125.73 34.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.263 176.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -144.67 123.81 12.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.19 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 56.3 39.74 30.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.208 173.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 91.58 -9.02 78.08 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 168.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 91.5 mtp -122.97 163.1 21.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.742 0.305 . . . . 0.0 111.231 -177.191 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -103.4 141.31 36.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.171 177.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 95.0 t -118.67 119.63 61.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.174 175.018 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . 0.426 ' HB2' ' HB ' ' B' ' 79' ' ' ILE . 81.4 mt -86.08 142.2 28.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.215 172.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -130.61 126.54 36.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.196 179.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 51.4 mt -114.6 126.08 54.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.222 173.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.441 ' HB2' ' HB3' ' A' ' 63' ' ' ARG . 33.9 m120 -117.93 126.77 52.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.203 -177.242 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.442 ' HB ' ' HB2' ' B' ' 75' ' ' LEU . 5.1 mp -118.03 118.1 57.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.204 -177.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 97.7 m -92.22 117.13 29.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.19 -179.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.1 pt? . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.161 175.849 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.743 0.306 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -114.52 139.39 49.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.159 177.365 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.581 ' N ' ' CD ' ' B' ' 41' ' ' PRO . 96.9 mt -74.69 -40.67 4.17 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.192 -174.076 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' PRO . . . . . 0.581 ' CD ' ' N ' ' B' ' 40' ' ' LEU . 87.0 Cg_exo -50.56 -41.08 54.17 Favored 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 121.73 1.62 . . . . 0.0 111.174 177.588 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 99.1 m -69.19 -46.11 68.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.228 177.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 58.7 tp -50.52 -47.53 57.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.245 173.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -61.32 -45.84 92.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.259 -175.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -61.25 -42.51 98.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.177 178.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -59.45 -42.29 91.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.166 177.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 92.9 mt -66.44 -39.25 88.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.192 -179.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 65.0 ttp -58.96 -48.96 79.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.208 175.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -51.91 -48.92 63.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.254 176.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' VAL . . . . . 0.403 HG11 HG11 ' A' ' 50' ' ' VAL . 47.6 t -56.89 -44.67 82.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.257 -177.054 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 96.8 mt -73.14 -36.97 66.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.217 -174.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 40.5 t -61.06 -38.12 85.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.172 176.178 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -86.95 -30.77 21.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.173 -174.032 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 5.5 m-30 -76.39 -59.2 2.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.219 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . 0.579 ' O ' HG12 ' B' ' 55' ' ' VAL . 59.0 t -88.56 0.69 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 -172.027 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 22.4 t30 66.85 21.62 10.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.231 176.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . 0.429 HG13 HG12 ' B' ' 55' ' ' VAL . 35.3 m -94.77 174.36 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.204 175.251 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 51.5 p -108.47 -179.97 4.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.216 173.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 3.7 pp -63.99 -21.71 66.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.191 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -68.44 -23.96 64.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.225 -179.594 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -103.48 11.12 36.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.168 -177.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 88.0 mt -119.46 120.62 64.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.182 -177.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . 0.449 ' HB3' ' HB2' ' B' ' 78' ' ' ASN . 46.4 ttp180 -111.45 135.33 52.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.219 175.325 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 79.7 mt -121.62 119.5 59.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.214 178.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 40.6 t -129.06 145.74 51.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.195 -175.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -134.61 126.98 30.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.204 176.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -132.5 137.44 47.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.212 -175.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -87.87 125.73 34.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.263 176.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -144.67 123.81 12.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.19 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 56.3 39.74 30.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.208 173.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . 91.58 -9.02 78.08 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 168.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 91.5 mtp -122.97 163.1 21.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.742 0.305 . . . . 0.0 111.231 -177.191 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -103.4 141.31 36.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.171 177.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 95.0 t -118.67 119.63 61.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.174 175.018 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . 0.442 ' HB2' ' HB ' ' A' ' 79' ' ' ILE . 81.4 mt -86.08 142.2 28.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.215 172.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -130.61 126.54 36.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.196 179.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 51.4 mt -114.6 126.08 54.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.222 173.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 78' ' ' ASN . . . . . 0.449 ' HB2' ' HB3' ' B' ' 63' ' ' ARG . 33.9 m120 -117.93 126.77 52.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.203 -177.242 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . 0.426 ' HB ' ' HB2' ' A' ' 75' ' ' LEU . 5.1 mp -118.03 118.1 57.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.204 -177.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 97.7 m -92.22 117.13 29.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.19 -179.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 2.1 pt? . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.161 175.849 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.556 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 52.3 tp . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.812 0.339 . . . . 0.0 111.233 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.556 ' CD ' ' N ' ' A' ' 40' ' ' LEU . 86.9 Cg_exo -51.21 -41.95 55.9 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 121.699 1.599 . . . . 0.0 111.225 175.735 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 96.0 m -54.27 -49.51 69.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.189 174.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 92.0 mt -61.1 -39.75 91.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.227 178.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -58.88 -45.64 89.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.187 175.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -69.98 -31.68 69.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.216 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . . . -61.05 -42.87 99.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.215 174.5 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 89.8 mt -63.16 -37.88 88.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.189 175.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 87.5 mtp -61.47 -45.92 92.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.163 176.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -53.79 -44.98 70.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.157 173.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 52.8 t -59.09 -42.03 85.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.219 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 89.2 mt -65.79 -35.76 81.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.185 -177.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 65.4 p -66.96 -15.04 63.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.182 179.026 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 99.9 mttt -101.0 -34.97 9.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.204 177.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 10.9 m-30 -77.45 -64.99 1.02 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.203 179.114 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.4 m -107.43 3.94 9.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.275 -170.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 61.99 22.66 13.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.225 171.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 53.5 t -84.6 145.44 8.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.169 174.085 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 31.0 t -94.82 160.58 14.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.235 -167.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 94.6 mt -56.42 -40.3 74.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.22 -177.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -68.61 -18.14 64.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.199 -178.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -101.76 13.08 35.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.219 -175.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 77.5 mt -120.01 131.68 71.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.158 178.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 89.8 mmt-85 -119.79 129.4 54.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 175.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 78.5 mt -127.57 129.78 70.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.201 179.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 47.1 t -149.77 142.25 24.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.223 -179.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -105.38 135.37 46.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.226 -175.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -124.58 -175.42 3.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.216 177.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -128.91 132.41 47.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.186 179.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 67.9 tp60 -133.17 117.3 17.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.209 175.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 64.7 -128.94 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.207 -172.009 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -103.81 20.65 40.74 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 176.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 88.3 mtp -128.17 159.54 34.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.805 0.336 . . . . 0.0 111.202 178.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -98.44 144.69 27.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.188 178.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 72.4 t -124.48 112.04 30.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.232 176.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 59.6 tp -87.87 128.44 35.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.193 177.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -113.49 133.64 55.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.223 -173.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.7 mp -120.77 131.48 54.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.179 175.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -116.81 120.16 37.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.183 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 64.4 mt -109.61 107.78 23.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.183 -173.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 97.7 m -89.24 124.49 34.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.201 -175.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.0 pp . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.193 176.166 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.805 0.336 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -108.75 17.48 21.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.214 176.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.559 ' N ' ' CD ' ' B' ' 41' ' ' PRO . 52.3 tp -66.65 -42.34 44.84 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.233 174.542 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' PRO . . . . . 0.559 ' CD ' ' N ' ' B' ' 40' ' ' LEU . 86.9 Cg_exo -51.21 -41.95 55.9 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 121.699 1.599 . . . . 0.0 111.225 175.735 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 96.0 m -54.27 -49.51 69.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.189 174.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 92.0 mt -61.1 -39.75 91.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.227 178.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -58.88 -45.64 89.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.187 175.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -69.98 -31.68 69.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.216 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -61.05 -42.87 99.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.215 174.5 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 89.8 mt -63.16 -37.88 88.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.189 175.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 87.5 mtp -61.47 -45.92 92.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.163 176.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -53.79 -44.98 70.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.157 173.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 52.8 t -59.09 -42.03 85.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.219 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 89.2 mt -65.79 -35.76 81.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.185 -177.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 65.4 p -66.96 -15.04 63.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.182 179.026 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 99.9 mttt -101.0 -34.97 9.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.204 177.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 10.9 m-30 -77.45 -64.99 1.02 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.203 179.114 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 27.4 m -107.43 3.94 9.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.275 -170.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 61.99 22.66 13.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.225 171.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 53.5 t -84.6 145.44 8.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.169 174.085 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 31.0 t -94.82 160.58 14.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.235 -167.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 94.6 mt -56.42 -40.3 74.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.22 -177.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -68.61 -18.14 64.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.199 -178.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -101.76 13.08 35.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.219 -175.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 77.5 mt -120.01 131.68 71.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.158 178.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 89.8 mmt-85 -119.79 129.4 54.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 175.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 78.5 mt -127.57 129.78 70.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.201 179.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 47.1 t -149.77 142.25 24.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.223 -179.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -105.38 135.37 46.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.226 -175.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -124.58 -175.42 3.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.216 177.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -128.91 132.41 47.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.186 179.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 67.9 tp60 -133.17 117.3 17.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.209 175.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 64.7 -128.94 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.207 -172.009 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -103.81 20.65 40.74 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 176.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 88.3 mtp -128.17 159.54 34.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.805 0.336 . . . . 0.0 111.202 178.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -98.44 144.69 27.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.188 178.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 72.4 t -124.48 112.04 30.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.232 176.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 59.6 tp -87.87 128.44 35.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.193 177.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -113.49 133.64 55.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.223 -173.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 5.7 mp -120.77 131.48 54.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.179 175.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -116.81 120.16 37.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.183 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 64.4 mt -109.61 107.78 23.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.183 -173.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 97.7 m -89.24 124.49 34.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.201 -175.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 4.0 pp . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.193 176.166 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.547 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 72.3 mt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.836 0.35 . . . . 0.0 111.253 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . 0.547 ' CD ' ' N ' ' A' ' 40' ' ' LEU . 71.5 Cg_exo -50.4 -39.98 53.63 Favored 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 121.686 1.591 . . . . 0.0 111.172 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 67.5 p -80.52 -31.47 37.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.207 -176.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 94.3 mt -64.88 -34.98 79.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 171.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 77.5 mtp180 -65.13 -43.79 90.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.192 177.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -55.57 -48.59 74.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.169 171.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . . . -56.85 -41.04 77.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.218 178.23 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 77.1 mt -65.28 -37.13 86.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.218 -179.286 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 99.0 mtp -59.52 -46.28 89.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.224 173.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.26 -40.98 92.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.247 178.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 55.4 t -60.43 -43.66 94.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.178 177.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 78.7 mt -70.29 -36.03 74.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.203 -179.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 42.9 t -58.58 -38.23 77.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.224 176.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -80.32 -27.86 38.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.228 -177.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 10.3 m-30 -79.34 -58.75 3.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.215 -178.101 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.59 ' O ' HG12 ' A' ' 55' ' ' VAL . 77.9 t -88.24 -2.38 8.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.155 -171.124 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 22.9 m120 65.07 29.8 11.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.166 174.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.418 HG13 HG12 ' A' ' 55' ' ' VAL . 34.1 m -112.13 173.88 2.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.162 170.519 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 83.3 p -93.71 173.13 7.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.174 -176.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.12 -28.14 69.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.139 -179.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -70.28 -15.72 62.93 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.142 -178.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 58.1 m-80 -99.4 12.12 37.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.17 -178.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 74.3 mt -121.67 134.55 64.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.197 -177.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 90.5 mmt-85 -126.32 128.85 47.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.169 178.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 58.5 mt -129.0 131.52 68.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.183 174.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 45.3 t -115.03 129.54 56.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.196 -177.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -105.78 110.55 22.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.193 176.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 74.4 mt-10 -130.5 157.35 42.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.155 -172.043 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -100.88 114.77 28.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.162 179.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 69.3 tp60 -103.96 97.93 7.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.257 176.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 62.38 -126.29 0.69 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.191 -174.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -91.94 8.24 78.25 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -178.038 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 51.0 mtt -124.21 159.76 29.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.796 0.332 . . . . 0.0 111.191 177.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -106.15 138.88 41.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.185 174.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 91.0 t -125.44 131.23 72.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.197 -177.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 94.1 mt -97.11 135.05 39.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.202 174.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -120.1 130.06 54.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.217 174.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.529 ' HB2' ' HB2' ' B' ' 77' ' ' LEU . 5.5 mp -117.41 136.31 53.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.247 178.744 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 -130.07 132.84 46.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.205 176.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 19.0 tt -146.77 138.65 18.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.202 177.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 94.2 m -112.56 134.5 54.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.151 -171.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 65.4 tp . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.217 174.333 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.788 0.328 . . . . 0.0 111.245 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 15.3 m-30 -74.72 -41.48 60.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.214 178.155 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.538 ' N ' ' CD ' ' B' ' 41' ' ' PRO . 72.3 mt -60.65 -43.07 91.14 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.253 -165.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' PRO . . . . . 0.538 ' CD ' ' N ' ' B' ' 40' ' ' LEU . 71.5 Cg_exo -50.4 -39.98 53.63 Favored 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 121.686 1.591 . . . . 0.0 111.172 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 67.5 p -80.52 -31.47 37.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.207 -176.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 94.3 mt -64.88 -34.98 79.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 171.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 77.5 mtp180 -65.13 -43.79 90.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.192 177.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -55.57 -48.59 74.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.169 171.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -56.85 -41.04 77.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.218 178.23 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 77.1 mt -65.28 -37.13 86.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.218 -179.286 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 99.0 mtp -59.52 -46.28 89.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.224 173.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.26 -40.98 92.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.247 178.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 55.4 t -60.43 -43.66 94.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.178 177.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 78.7 mt -70.29 -36.03 74.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.203 -179.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 42.9 t -58.58 -38.23 77.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.224 176.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -80.32 -27.86 38.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.228 -177.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 10.3 m-30 -79.34 -58.75 3.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.215 -178.101 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' VAL . . . . . 0.594 ' O ' HG12 ' B' ' 55' ' ' VAL . 77.9 t -88.24 -2.38 8.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.155 -171.124 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 22.9 m120 65.07 29.8 11.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.166 174.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' VAL . . . . . 0.409 HG13 HG12 ' B' ' 55' ' ' VAL . 34.1 m -112.13 173.88 2.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.162 170.519 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 83.3 p -93.71 173.13 7.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.174 -176.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.12 -28.14 69.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.139 -179.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -70.28 -15.72 62.93 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.142 -178.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 58.1 m-80 -99.4 12.12 37.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.17 -178.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 74.3 mt -121.67 134.55 64.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.197 -177.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 90.5 mmt-85 -126.32 128.85 47.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.169 178.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 58.5 mt -129.0 131.52 68.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.183 174.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 45.3 t -115.03 129.54 56.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.196 -177.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -105.78 110.55 22.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.193 176.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 74.4 mt-10 -130.5 157.35 42.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.155 -172.043 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -100.88 114.77 28.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.162 179.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 69.3 tp60 -103.96 97.93 7.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.257 176.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 62.38 -126.29 0.69 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.191 -174.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -91.94 8.24 78.25 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -178.038 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 51.0 mtt -124.21 159.76 29.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.796 0.332 . . . . 0.0 111.191 177.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -106.15 138.88 41.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.185 174.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 91.0 t -125.44 131.23 72.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.197 -177.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 94.1 mt -97.11 135.05 39.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.202 174.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -120.1 130.06 54.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.217 174.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . 0.529 ' HB2' ' HB2' ' A' ' 77' ' ' LEU . 5.5 mp -117.41 136.31 53.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.247 178.744 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 -130.07 132.84 46.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.205 176.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 19.0 tt -146.77 138.65 18.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.202 177.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 94.2 m -112.56 134.5 54.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.151 -171.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 65.4 tp . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.217 174.333 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.841 0.353 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 44.2 p90 -95.89 -23.17 17.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.206 -178.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.574 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 78.3 mt -69.67 -41.16 15.52 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.235 -173.342 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.574 ' CD ' ' N ' ' A' ' 40' ' ' LEU . 93.2 Cg_exo -51.64 -38.66 66.12 Favored 'Trans proline' 0 N--CA 1.458 -0.573 0 C-N-CA 121.659 1.573 . . . . 0.0 111.158 177.542 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 70.3 p -77.67 -32.78 53.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.197 -176.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 92.2 mt -65.7 -35.97 82.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.223 172.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 70.0 mtp180 -66.36 -41.64 89.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.21 177.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -62.78 -39.91 95.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.174 174.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . . . -60.94 -38.72 86.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.209 176.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 80.4 mt -64.73 -36.21 83.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.186 178.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 95.4 mtp -61.4 -43.55 98.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.215 175.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -58.36 -48.26 81.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.166 175.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 54.1 t -59.41 -43.05 89.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.203 -178.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 51.8 mt -68.45 -41.96 79.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.172 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 42.8 t -56.52 -35.66 68.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.213 177.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -83.06 -31.45 27.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.218 -175.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 8.5 m-30 -74.51 -58.5 3.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.159 -175.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 31.5 m -108.22 13.58 8.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.251 -174.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 61.98 31.44 18.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.174 165.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 34.9 m -93.79 166.25 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.242 171.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 82.3 p -94.62 170.53 9.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.179 176.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 96.3 mt -62.04 -32.65 73.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.259 -179.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -69.01 -16.16 63.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.154 -178.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 62.7 m-80 -97.85 10.03 41.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.193 -177.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 75.3 mt -121.66 131.89 72.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.235 -179.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 90.5 mmt-85 -123.76 123.52 40.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.174 174.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 57.3 mt -128.95 128.16 67.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.182 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 47.6 t -157.34 149.61 22.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.139 -178.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -104.16 145.64 29.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.15 177.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -133.91 145.59 49.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.201 174.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -76.99 116.07 17.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 -178.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 69.4 tp60 -112.57 101.69 9.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.215 174.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 62.63 -128.0 0.62 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.177 -174.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -90.85 4.5 81.78 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.3 -0.72 . . . . 0.0 111.3 -179.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 76.7 mtm -125.02 171.76 9.98 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.855 0.359 . . . . 0.0 111.141 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -112.7 150.92 30.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.22 176.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 89.5 t -121.35 126.15 74.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.18 175.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.403 ' HB3' ' HB ' ' B' ' 79' ' ' ILE . 60.6 tp -89.61 126.69 35.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.218 174.02 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 48.7 tt0 -122.18 130.29 53.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.223 -174.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.466 ' HB2' ' HB2' ' B' ' 77' ' ' LEU . 5.5 mp -119.36 138.42 53.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.227 176.324 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -130.44 123.27 29.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.263 177.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.2 mp -122.0 123.97 70.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.23 -176.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 97.2 m -80.41 121.07 25.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.176 177.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 74.0 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.216 -178.784 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.841 0.353 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 44.2 p90 -95.89 -23.17 17.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.206 -178.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.583 ' N ' ' CD ' ' B' ' 41' ' ' PRO . 78.3 mt -69.67 -41.16 15.52 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.235 -173.342 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' PRO . . . . . 0.583 ' CD ' ' N ' ' B' ' 40' ' ' LEU . 93.2 Cg_exo -51.64 -38.66 66.12 Favored 'Trans proline' 0 N--CA 1.458 -0.573 0 C-N-CA 121.659 1.573 . . . . 0.0 111.158 177.542 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 70.3 p -77.67 -32.78 53.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.197 -176.199 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 92.2 mt -65.7 -35.97 82.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.223 172.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 70.0 mtp180 -66.36 -41.64 89.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.21 177.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -62.78 -39.91 95.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.174 174.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -60.94 -38.72 86.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.209 176.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 80.4 mt -64.73 -36.21 83.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.186 178.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 95.4 mtp -61.4 -43.55 98.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.215 175.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -58.36 -48.26 81.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.166 175.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 54.1 t -59.41 -43.05 89.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.203 -178.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 51.8 mt -68.45 -41.96 79.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.172 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 42.8 t -56.52 -35.66 68.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.213 177.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -83.06 -31.45 27.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.218 -175.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 8.5 m-30 -74.51 -58.5 3.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.159 -175.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 31.5 m -108.22 13.58 8.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.251 -174.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 61.98 31.44 18.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.174 165.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 34.9 m -93.79 166.25 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.242 171.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 82.3 p -94.62 170.53 9.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.179 176.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 96.3 mt -62.04 -32.65 73.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.259 -179.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -69.01 -16.16 63.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.154 -178.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 62.7 m-80 -97.85 10.03 41.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.193 -177.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 75.3 mt -121.66 131.89 72.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.235 -179.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 90.5 mmt-85 -123.76 123.52 40.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.174 174.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 57.3 mt -128.95 128.16 67.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.182 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 47.6 t -157.34 149.61 22.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.139 -178.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -104.16 145.64 29.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.15 177.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -133.91 145.59 49.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.201 174.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -76.99 116.07 17.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 -178.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 69.4 tp60 -112.57 101.69 9.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.215 174.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 62.63 -128.0 0.62 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.177 -174.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -90.85 4.5 81.78 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.3 -0.72 . . . . 0.0 111.3 -179.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 76.7 mtm -125.02 171.76 9.98 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.855 0.359 . . . . 0.0 111.141 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -112.7 150.92 30.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.22 176.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 89.5 t -121.35 126.15 74.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.18 175.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 60.6 tp -89.61 126.69 35.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.218 174.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 48.7 tt0 -122.18 130.29 53.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.223 -174.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . 0.466 ' HB2' ' HB2' ' A' ' 77' ' ' LEU . 5.5 mp -119.36 138.42 53.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.227 176.324 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -130.44 123.27 29.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.263 177.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . 0.403 ' HB ' ' HB3' ' A' ' 75' ' ' LEU . 5.2 mp -122.0 123.97 70.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.23 -176.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 97.2 m -80.41 121.07 25.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.176 177.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 74.0 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.216 -178.784 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.774 0.321 . . . . 0.0 111.248 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -95.83 123.68 39.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.151 -175.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.548 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 60.0 tp -65.57 -42.84 59.02 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.166 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.548 ' CD ' ' N ' ' A' ' 40' ' ' LEU . 80.1 Cg_exo -50.11 -42.69 45.48 Favored 'Trans proline' 0 N--CA 1.457 -0.63 0 C-N-CA 121.777 1.651 . . . . 0.0 111.146 178.164 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 93.2 m -66.46 -50.54 62.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.177 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 67.6 tp -52.03 -49.17 63.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.178 175.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 69.2 mtm180 -62.24 -44.92 95.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.215 -176.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -53.87 -51.66 62.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.246 177.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . . . -57.74 -42.75 84.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.232 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 91.0 mt -68.93 -35.45 76.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.188 -176.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 66.4 mtt -60.44 -44.01 96.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.21 173.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -61.98 -41.33 97.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.233 178.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 52.5 t -60.08 -44.42 94.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.209 177.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 82.2 mt -74.34 -34.37 63.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.224 -176.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 41.4 t -55.37 -45.77 76.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.175 172.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -79.42 -29.38 41.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.203 -172.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 4.7 m-30 -79.8 -52.79 7.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.238 -176.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.516 ' O ' HG12 ' A' ' 55' ' ' VAL . 87.4 t -90.28 -6.52 10.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.198 -173.594 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 55.9 t30 67.39 39.28 2.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.163 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.401 HG13 HG12 ' A' ' 55' ' ' VAL . 35.4 m -115.35 171.43 4.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.246 174.007 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 81.3 p -92.63 171.54 8.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.192 178.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 96.3 mt -62.18 -31.71 72.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.159 -178.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -72.06 -12.46 61.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.199 -176.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 57.3 m-80 -96.74 8.33 44.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.224 -179.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 34.9 mm -114.32 134.78 56.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.187 178.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 90.8 mmt-85 -125.09 123.22 39.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.2 173.041 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 60.2 mt -130.14 129.58 65.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.212 -179.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 44.4 t -148.28 140.79 24.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.224 -177.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -110.09 141.56 42.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.24 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -138.75 137.59 36.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.241 -177.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -95.19 126.25 40.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.161 178.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 70.3 tp60 -142.89 127.2 17.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.225 -176.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 61.46 23.1 13.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.187 -178.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 93.11 -2.28 71.47 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 173.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 61.9 mtt -116.89 154.28 31.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.751 0.31 . . . . 0.0 111.176 -178.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -101.51 133.2 46.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.225 -176.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 88.2 t -127.05 130.41 71.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.166 175.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 40.2 tp -100.1 137.02 39.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.218 179.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 61.4 tt0 -123.79 131.53 53.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.181 -175.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.487 ' HB2' ' HB2' ' B' ' 77' ' ' LEU . 5.4 mp -122.17 140.11 52.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.152 177.248 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -130.62 131.75 45.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.185 176.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.0 mp -120.35 118.88 58.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.225 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 99.8 m -92.25 118.55 30.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.205 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 62.6 tp . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.232 174.765 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.774 0.321 . . . . 0.0 111.248 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -95.83 123.68 39.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.151 -175.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.538 ' N ' ' CD ' ' B' ' 41' ' ' PRO . 60.0 tp -65.57 -42.84 59.02 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.166 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' PRO . . . . . 0.538 ' CD ' ' N ' ' B' ' 40' ' ' LEU . 80.1 Cg_exo -50.11 -42.69 45.48 Favored 'Trans proline' 0 N--CA 1.457 -0.63 0 C-N-CA 121.777 1.651 . . . . 0.0 111.146 178.164 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 93.2 m -66.46 -50.54 62.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.177 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 67.6 tp -52.03 -49.17 63.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.178 175.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 69.2 mtm180 -62.24 -44.92 95.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.215 -176.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -53.87 -51.66 62.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.246 177.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -57.74 -42.75 84.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.232 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 91.0 mt -68.93 -35.45 76.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.188 -176.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 66.4 mtt -60.44 -44.01 96.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.21 173.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -61.98 -41.33 97.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.233 178.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 52.5 t -60.08 -44.42 94.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.209 177.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 82.2 mt -74.34 -34.37 63.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.224 -176.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 41.4 t -55.37 -45.77 76.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.175 172.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -79.42 -29.38 41.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.203 -172.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 4.7 m-30 -79.8 -52.79 7.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.238 -176.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . 0.519 ' O ' HG12 ' B' ' 55' ' ' VAL . 87.4 t -90.28 -6.52 10.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.198 -173.594 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 55.9 t30 67.39 39.28 2.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.163 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 35.4 m -115.35 171.43 4.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.246 174.007 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 81.3 p -92.63 171.54 8.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.192 178.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 96.3 mt -62.18 -31.71 72.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.159 -178.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -72.06 -12.46 61.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.199 -176.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 57.3 m-80 -96.74 8.33 44.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.224 -179.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 34.9 mm -114.32 134.78 56.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.187 178.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 90.8 mmt-85 -125.09 123.22 39.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.2 173.041 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 60.2 mt -130.14 129.58 65.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.212 -179.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 44.4 t -148.28 140.79 24.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.224 -177.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -110.09 141.56 42.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.24 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -138.75 137.59 36.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.241 -177.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -95.19 126.25 40.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.161 178.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 70.3 tp60 -142.89 127.2 17.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.225 -176.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 61.46 23.1 13.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.187 -178.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . 93.11 -2.28 71.47 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 173.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 61.9 mtt -116.89 154.28 31.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.751 0.31 . . . . 0.0 111.176 -178.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -101.51 133.2 46.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.225 -176.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 88.2 t -127.05 130.41 71.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.166 175.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 40.2 tp -100.1 137.02 39.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.218 179.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 61.4 tt0 -123.79 131.53 53.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.181 -175.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . 0.487 ' HB2' ' HB2' ' A' ' 77' ' ' LEU . 5.4 mp -122.17 140.11 52.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.152 177.248 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -130.62 131.75 45.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.185 176.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 5.0 mp -120.35 118.88 58.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.225 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 99.8 m -92.25 118.55 30.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.205 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 62.6 tp . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.232 174.765 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.791 0.329 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -114.09 125.2 53.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.146 -179.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.561 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 83.7 mt -64.17 -41.91 64.62 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 -171.62 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.561 ' CD ' ' N ' ' A' ' 40' ' ' LEU . 71.9 Cg_exo -50.48 -46.53 28.95 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 121.691 1.594 . . . . 0.0 111.222 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 94.1 m -70.72 -41.98 71.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.18 178.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 95.9 mt -61.78 -32.65 72.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.209 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 71.8 mtp180 -65.51 -45.29 84.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.211 177.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -60.36 -46.33 90.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.203 174.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . . . -59.36 -41.27 88.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.214 179.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 44.1 tp -64.02 -42.25 97.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.179 -179.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 97.8 mtp -57.3 -45.64 83.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.233 175.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -61.12 -42.53 98.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.222 -179.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 52.7 t -59.2 -41.89 85.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.219 177.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 44.3 tp -68.75 -42.06 78.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.253 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 80.3 p -62.78 -26.67 68.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -78.77 -33.85 46.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.209 176.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 9.3 m-30 -62.72 -42.21 99.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.189 -178.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.413 HG23 HG22 ' A' ' 57' ' ' VAL . 27.5 m -113.44 6.4 7.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.187 -178.333 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 58.99 42.49 19.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.237 169.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.413 HG22 HG23 ' A' ' 55' ' ' VAL . 25.9 m -110.42 -168.4 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.193 174.389 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 28.9 t -105.17 161.46 14.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.257 178.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 95.7 mt -67.92 -14.93 63.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.211 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -67.83 -21.15 65.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.203 179.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -97.7 8.31 44.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.166 -178.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 79.1 mt -124.07 136.45 60.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.173 -176.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 90.8 mmt-85 -129.81 142.27 50.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.221 176.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.433 ' HA ' ' O ' ' A' ' 76' ' ' GLU . 19.2 tt -143.68 137.38 24.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.249 177.065 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 45.8 t -142.31 148.88 38.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.279 -173.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -112.1 132.61 54.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.202 175.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -140.69 139.54 34.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.243 -178.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -92.7 125.45 37.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.18 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 70.3 tp60 -142.36 123.65 14.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.206 -177.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 61.09 28.64 18.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.227 179.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 95.13 -15.89 62.44 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 175.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 90.2 mmm -102.33 152.02 21.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.814 0.34 . . . . 0.0 111.186 -174.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -100.54 119.13 38.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.133 178.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 86.6 t -115.72 129.5 71.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.207 -174.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 81.9 mt -93.79 140.27 29.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.227 173.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.433 ' O ' ' HA ' ' A' ' 64' ' ' ILE . 68.8 tt0 -127.0 118.19 23.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.224 178.496 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.458 ' HB3' ' HB3' ' B' ' 77' ' ' LEU . 53.0 tp -114.65 124.86 52.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.16 -178.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -125.72 143.47 51.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.239 -176.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 20.2 tt -142.26 136.42 28.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.147 174.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 97.4 m -97.32 116.85 30.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.206 178.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 78.1 mt . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.204 -178.394 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.791 0.329 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -114.09 125.2 53.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.146 -179.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.565 ' N ' ' CD ' ' B' ' 41' ' ' PRO . 83.7 mt -64.17 -41.91 64.62 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 -171.62 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' PRO . . . . . 0.565 ' CD ' ' N ' ' B' ' 40' ' ' LEU . 71.9 Cg_exo -50.48 -46.53 28.95 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 121.691 1.594 . . . . 0.0 111.222 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 94.1 m -70.72 -41.98 71.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.18 178.198 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 95.9 mt -61.78 -32.65 72.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.209 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 71.8 mtp180 -65.51 -45.29 84.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.211 177.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -60.36 -46.33 90.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.203 174.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -59.36 -41.27 88.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.214 179.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 44.1 tp -64.02 -42.25 97.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.179 -179.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 97.8 mtp -57.3 -45.64 83.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.233 175.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -61.12 -42.53 98.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.222 -179.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 52.7 t -59.2 -41.89 85.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.219 177.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 44.3 tp -68.75 -42.06 78.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.253 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 80.3 p -62.78 -26.67 68.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -78.77 -33.85 46.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.209 176.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 9.3 m-30 -62.72 -42.21 99.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.189 -178.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . 0.424 HG23 HG22 ' B' ' 57' ' ' VAL . 27.5 m -113.44 6.4 7.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.187 -178.333 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 58.99 42.49 19.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.237 169.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . 0.424 HG22 HG23 ' B' ' 55' ' ' VAL . 25.9 m -110.42 -168.4 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.193 174.389 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 28.9 t -105.17 161.46 14.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.257 178.326 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 95.7 mt -67.92 -14.93 63.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.211 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -67.83 -21.15 65.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.203 179.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -97.7 8.31 44.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.166 -178.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 79.1 mt -124.07 136.45 60.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.173 -176.109 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 90.8 mmt-85 -129.81 142.27 50.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.221 176.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . 0.435 ' HA ' ' O ' ' B' ' 76' ' ' GLU . 19.2 tt -143.68 137.38 24.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.249 177.065 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 45.8 t -142.31 148.88 38.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.279 -173.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -112.1 132.61 54.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.202 175.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -140.69 139.54 34.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.243 -178.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -92.7 125.45 37.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.18 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 70.3 tp60 -142.36 123.65 14.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.206 -177.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 61.09 28.64 18.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.227 179.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . 95.13 -15.89 62.44 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 175.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 90.2 mmm -102.33 152.02 21.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.814 0.34 . . . . 0.0 111.186 -174.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -100.54 119.13 38.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.133 178.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 86.6 t -115.72 129.5 71.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.207 -174.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 81.9 mt -93.79 140.27 29.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.227 173.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . 0.435 ' O ' ' HA ' ' B' ' 64' ' ' ILE . 68.8 tt0 -127.0 118.19 23.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.224 178.496 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . 0.458 ' HB3' ' HB3' ' A' ' 77' ' ' LEU . 53.0 tp -114.65 124.86 52.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.16 -178.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -125.72 143.47 51.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.239 -176.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 20.2 tt -142.26 136.42 28.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.147 174.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 97.4 m -97.32 116.85 30.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.206 178.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 78.1 mt . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.204 -178.394 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.8 0.333 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -99.81 18.24 18.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.255 176.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.571 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 54.2 tp -71.22 -42.03 11.27 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.221 175.528 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.571 ' CD ' ' N ' ' A' ' 40' ' ' LEU . 85.0 Cg_exo -52.78 -35.24 68.63 Favored 'Trans proline' 0 N--CA 1.459 -0.548 0 C-N-CA 121.691 1.594 . . . . 0.0 111.18 177.041 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 60.4 p -75.63 -33.91 60.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.225 -177.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 89.5 mt -64.61 -40.32 95.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.212 169.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 77.7 mtp180 -64.93 -40.19 94.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.2 178.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -65.69 -40.53 92.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.243 175.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . . . -61.72 -37.5 84.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.16 177.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 77.6 mt -64.75 -44.66 89.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.178 176.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 98.9 mtp -58.65 -39.85 81.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.196 176.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -56.28 -56.44 21.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.143 178.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 28.6 m -70.29 -25.76 27.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.179 -172.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.2 mp -69.86 -39.91 76.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.2 173.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 82.7 p -65.66 -29.96 70.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.175 178.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -79.12 -35.88 41.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.176 -173.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -80.26 -39.93 27.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.163 -175.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.531 ' O ' HG12 ' A' ' 55' ' ' VAL . 66.0 t -96.78 -4.85 9.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.199 -176.389 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 64.04 34.23 11.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.187 175.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.472 HG13 HG12 ' A' ' 55' ' ' VAL . 29.2 m -105.08 175.24 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.209 173.437 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 79.0 p -98.82 168.22 10.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.169 176.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 95.3 mt -64.13 -27.24 68.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.23 -179.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -69.97 -17.31 63.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.159 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 63.0 m-80 -99.79 9.23 43.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.172 -179.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 85.4 mt -119.84 136.05 58.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.24 -178.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 90.1 mmt-85 -123.1 148.32 45.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.169 174.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 19.4 tt -152.88 130.3 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.199 -178.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.2 t -159.87 145.11 15.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.264 -178.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -106.14 140.34 39.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.228 178.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -136.23 141.23 43.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.205 -176.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -97.63 121.11 39.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.226 179.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 69.5 tp60 -138.86 125.49 20.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.198 -178.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 61.23 27.53 17.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.184 -179.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 92.68 -15.76 61.78 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 176.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 95.3 mtp -101.72 148.28 25.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.773 0.32 . . . . 0.0 111.196 -173.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -100.43 127.8 46.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.228 -179.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 96.3 t -123.6 124.48 69.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.203 177.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 55.1 tp -92.34 128.48 38.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.224 174.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 58.7 tt0 -118.42 132.2 56.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.176 -174.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.427 ' HB2' ' HB2' ' B' ' 77' ' ' LEU . 4.4 mp -121.92 141.86 50.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.221 175.592 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -133.05 135.03 45.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.241 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 88.2 mt -118.0 117.22 54.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.181 172.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 97.4 m -92.8 118.44 31.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.251 -176.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 81.7 mt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.225 176.49 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.8 0.333 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -99.81 18.24 18.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.255 176.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.576 ' N ' ' CD ' ' B' ' 41' ' ' PRO . 54.2 tp -71.22 -42.03 11.27 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.221 175.528 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' PRO . . . . . 0.576 ' CD ' ' N ' ' B' ' 40' ' ' LEU . 85.0 Cg_exo -52.78 -35.24 68.63 Favored 'Trans proline' 0 N--CA 1.459 -0.548 0 C-N-CA 121.691 1.594 . . . . 0.0 111.18 177.041 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 60.4 p -75.63 -33.91 60.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.225 -177.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 89.5 mt -64.61 -40.32 95.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.212 169.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 77.7 mtp180 -64.93 -40.19 94.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.2 178.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -65.69 -40.53 92.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.243 175.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -61.72 -37.5 84.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.16 177.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 77.6 mt -64.75 -44.66 89.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.178 176.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 98.9 mtp -58.65 -39.85 81.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.196 176.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -56.28 -56.44 21.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.143 178.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 28.6 m -70.29 -25.76 27.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.179 -172.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 6.2 mp -69.86 -39.91 76.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.2 173.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 82.7 p -65.66 -29.96 70.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.175 178.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -79.12 -35.88 41.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.176 -173.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -80.26 -39.93 27.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.163 -175.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . 0.526 ' O ' HG12 ' B' ' 55' ' ' VAL . 66.0 t -96.78 -4.85 9.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.199 -176.389 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 64.04 34.23 11.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.187 175.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . 0.472 HG13 HG12 ' B' ' 55' ' ' VAL . 29.2 m -105.08 175.24 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.209 173.437 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 79.0 p -98.82 168.22 10.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.169 176.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 95.3 mt -64.13 -27.24 68.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.23 -179.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -69.97 -17.31 63.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.159 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 63.0 m-80 -99.79 9.23 43.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.172 -179.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 85.4 mt -119.84 136.05 58.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.24 -178.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 90.1 mmt-85 -123.1 148.32 45.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.169 174.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 19.4 tt -152.88 130.3 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.199 -178.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 48.2 t -159.87 145.11 15.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.264 -178.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -106.14 140.34 39.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.228 178.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -136.23 141.23 43.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.205 -176.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -97.63 121.11 39.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.226 179.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 69.5 tp60 -138.86 125.49 20.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.198 -178.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 61.23 27.53 17.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.184 -179.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . 92.68 -15.76 61.78 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 176.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 95.3 mtp -101.72 148.28 25.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.773 0.32 . . . . 0.0 111.196 -173.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -100.43 127.8 46.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.228 -179.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 96.3 t -123.6 124.48 69.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.203 177.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 55.1 tp -92.34 128.48 38.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.224 174.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 58.7 tt0 -118.42 132.2 56.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.176 -174.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . 0.427 ' HB2' ' HB2' ' A' ' 77' ' ' LEU . 4.4 mp -121.92 141.86 50.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.221 175.592 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -133.05 135.03 45.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.241 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 88.2 mt -118.0 117.22 54.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.181 172.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 97.4 m -92.8 118.44 31.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.251 -176.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 81.7 mt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.225 176.49 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.796 0.331 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -89.67 -43.37 10.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.228 -177.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.58 ' HB3' ' HD3' ' A' ' 41' ' ' PRO . 60.8 tp -57.41 -45.63 99.87 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.225 -176.056 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.58 ' HD3' ' HB3' ' A' ' 40' ' ' LEU . 70.0 Cg_exo -48.3 -39.42 35.14 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 121.669 1.58 . . . . 0.0 111.205 177.146 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 97.3 m -70.62 -41.33 72.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.218 176.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 87.5 mt -59.25 -33.63 71.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.192 177.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -65.01 -47.63 76.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.195 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.02 -37.68 88.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.199 175.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . . . -59.5 -40.74 88.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.147 175.134 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 79.0 mt -67.53 -36.3 80.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.222 178.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 68.0 mtt -56.97 -48.63 77.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.169 173.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 61.9 tt0 -54.04 -47.97 71.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.192 174.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 52.8 t -59.81 -41.89 87.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.194 -176.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 85.7 mt -73.56 -36.96 65.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.21 -176.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 82.6 p -67.07 -22.16 65.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.219 178.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -92.29 -31.38 15.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.19 177.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 7.3 m-30 -77.58 -60.36 2.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.164 -178.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.61 ' O ' HG12 ' A' ' 55' ' ' VAL . 84.4 t -95.94 0.17 10.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.215 -173.604 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 47.1 t30 64.05 28.9 14.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.173 175.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 32.9 m -90.69 168.65 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.17 174.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 77.9 p -102.48 174.01 6.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.194 176.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 96.4 mt -60.86 -33.54 73.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.103 -179.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -67.88 -17.1 64.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.164 -179.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 64.1 m-80 -103.53 10.77 36.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.194 -177.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 84.0 mt -121.18 126.46 75.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.225 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 89.8 mmt-85 -123.2 126.19 46.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.158 175.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 71.3 mt -124.47 128.21 73.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.215 178.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 17.5 t -139.55 -167.05 2.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.207 -176.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -167.43 136.78 2.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.246 -176.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.2 pt-20 -142.36 156.7 45.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.195 178.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -93.32 115.27 27.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.23 -179.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -109.56 105.5 14.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.166 176.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 62.02 -131.82 0.61 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.235 -169.148 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -92.65 10.07 74.67 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -179.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 56.1 mtt -118.72 157.59 27.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.877 0.37 . . . . 0.0 111.154 178.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -109.22 142.19 40.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.198 174.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 90.6 t -123.96 122.54 64.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.176 -178.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.444 ' HB2' ' HB ' ' B' ' 79' ' ' ILE . 84.8 mt -77.66 147.61 35.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.229 170.071 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 58.8 tt0 -133.69 129.22 36.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.215 -179.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.432 ' HB2' ' HB2' ' B' ' 77' ' ' LEU . 5.2 mp -121.32 137.18 54.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.207 174.671 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -126.05 129.49 49.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.21 177.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.425 ' HB ' ' HB2' ' B' ' 75' ' ' LEU . 5.0 mp -121.26 115.56 47.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.171 -179.454 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 98.5 m -90.17 119.82 30.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.208 -175.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 59.4 tp . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.256 173.545 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.796 0.331 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -89.67 -43.37 10.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.228 -177.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.589 ' HB3' ' HD3' ' B' ' 41' ' ' PRO . 60.8 tp -57.41 -45.63 99.87 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.225 -176.056 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' PRO . . . . . 0.589 ' HD3' ' HB3' ' B' ' 40' ' ' LEU . 70.0 Cg_exo -48.3 -39.42 35.14 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 121.669 1.58 . . . . 0.0 111.205 177.146 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 97.3 m -70.62 -41.33 72.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.218 176.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 87.5 mt -59.25 -33.63 71.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.192 177.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -65.01 -47.63 76.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.195 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.02 -37.68 88.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.199 175.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -59.5 -40.74 88.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.147 175.134 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 79.0 mt -67.53 -36.3 80.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.222 178.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 68.0 mtt -56.97 -48.63 77.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.169 173.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 61.9 tt0 -54.04 -47.97 71.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.192 174.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 52.8 t -59.81 -41.89 87.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.194 -176.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 85.7 mt -73.56 -36.96 65.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.21 -176.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 82.6 p -67.07 -22.16 65.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.219 178.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -92.29 -31.38 15.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.19 177.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 7.3 m-30 -77.58 -60.36 2.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.164 -178.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . 0.597 ' O ' HG12 ' B' ' 55' ' ' VAL . 84.4 t -95.94 0.17 10.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.215 -173.604 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 47.1 t30 64.05 28.9 14.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.173 175.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 32.9 m -90.69 168.65 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.17 174.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 77.9 p -102.48 174.01 6.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.194 176.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 96.4 mt -60.86 -33.54 73.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.103 -179.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -67.88 -17.1 64.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.164 -179.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 64.1 m-80 -103.53 10.77 36.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.194 -177.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 84.0 mt -121.18 126.46 75.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.225 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 89.8 mmt-85 -123.2 126.19 46.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.158 175.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 71.3 mt -124.47 128.21 73.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.215 178.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 17.5 t -139.55 -167.05 2.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.207 -176.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -167.43 136.78 2.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.246 -176.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 27.2 pt-20 -142.36 156.7 45.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.195 178.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -93.32 115.27 27.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.23 -179.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -109.56 105.5 14.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.166 176.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 62.02 -131.82 0.61 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.235 -169.148 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -92.65 10.07 74.67 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -179.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 56.1 mtt -118.72 157.59 27.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.877 0.37 . . . . 0.0 111.154 178.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -109.22 142.19 40.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.198 174.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 90.6 t -123.96 122.54 64.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.176 -178.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . 0.425 ' HB2' ' HB ' ' A' ' 79' ' ' ILE . 84.8 mt -77.66 147.61 35.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.229 170.071 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 58.8 tt0 -133.69 129.22 36.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.215 -179.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . 0.432 ' HB2' ' HB2' ' A' ' 77' ' ' LEU . 5.2 mp -121.32 137.18 54.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.207 174.671 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -126.05 129.49 49.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.21 177.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . 0.444 ' HB ' ' HB2' ' A' ' 75' ' ' LEU . 5.0 mp -121.26 115.56 47.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.171 -179.454 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 98.5 m -90.17 119.82 30.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.208 -175.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 59.4 tp . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.256 173.545 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.821 0.343 . . . . 0.0 111.234 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -82.17 -32.61 29.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.163 -178.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.545 ' HB3' ' HD3' ' A' ' 41' ' ' PRO . 56.7 tp -63.44 -44.27 81.48 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.235 -167.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.545 ' HD3' ' HB3' ' A' ' 40' ' ' LEU . 79.1 Cg_exo -50.05 -40.43 50.21 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 121.775 1.65 . . . . 0.0 111.201 178.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 98.8 m -69.97 -43.11 72.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.208 177.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 94.2 mt -59.15 -37.74 78.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.215 177.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 77.1 mtp180 -64.96 -45.83 84.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.215 -179.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.89 -42.0 97.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.293 176.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . . . -57.94 -47.53 82.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.203 177.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 89.3 mt -64.29 -36.69 84.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.263 -179.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 58.1 ttm -59.69 -46.82 87.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.175 176.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -56.27 -48.37 76.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.204 173.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 50.7 t -57.45 -41.66 79.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.21 -178.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 81.4 mt -64.24 -46.37 84.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.161 179.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 87.3 p -63.76 -26.19 68.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.231 -174.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -98.42 -41.62 7.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.201 -174.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 7.2 m-30 -81.38 -58.33 3.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.222 -178.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.427 ' O ' ' HB2' ' A' ' 56' ' ' ASN . 74.2 t -67.39 -20.09 26.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.164 -174.724 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.427 ' HB2' ' O ' ' A' ' 55' ' ' VAL . 74.8 m-80 66.21 82.87 0.18 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.221 -172.687 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.2 p -163.37 152.96 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.252 -169.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.2 t -85.9 149.95 24.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.187 -178.19 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 96.1 mt -58.94 -33.86 71.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.267 179.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -62.54 -23.03 66.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.206 179.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -98.6 10.82 40.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.237 -176.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 90.9 mt -113.37 127.59 70.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.202 179.14 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 90.4 mmt-85 -123.76 120.73 33.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.192 173.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 77.9 mt -122.48 123.47 68.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.236 177.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 17.3 t -139.84 -166.93 2.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.206 -173.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -156.8 134.3 10.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.23 -175.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.8 pt-20 -129.85 160.24 34.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.199 177.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -91.09 126.04 36.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.152 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . 0.436 ' O ' ' HB2' ' A' ' 70' ' ' ASP . 65.6 tp60 -128.25 109.47 11.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.241 173.74 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.436 ' HB2' ' O ' ' A' ' 69' ' ' GLN . 43.9 m-20 69.19 -126.75 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.178 -176.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -100.98 18.97 53.96 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 178.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 21.6 ptp -141.94 173.17 11.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.822 0.344 . . . . 0.0 111.212 178.313 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -110.21 160.43 16.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.174 178.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 90.6 t -125.51 132.74 70.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.158 179.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 57.1 tp -88.6 128.34 35.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.149 178.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 71.2 tt0 -123.98 126.21 45.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.19 -172.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.433 ' HB2' ' HB2' ' B' ' 77' ' ' LEU . 5.3 mp -120.91 129.45 53.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.184 177.048 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 75.5 m-80 -124.44 119.38 29.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.178 179.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.2 mp -117.7 116.94 53.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.225 -177.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 94.3 m -78.55 121.09 24.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.156 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 71.4 mt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.159 -176.453 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.821 0.343 . . . . 0.0 111.234 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -82.17 -32.61 29.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.163 -178.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.559 ' HB3' ' HD3' ' B' ' 41' ' ' PRO . 56.7 tp -63.44 -44.27 81.48 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.235 -167.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' PRO . . . . . 0.559 ' HD3' ' HB3' ' B' ' 40' ' ' LEU . 79.1 Cg_exo -50.05 -40.43 50.21 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 121.775 1.65 . . . . 0.0 111.201 178.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 98.8 m -69.97 -43.11 72.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.208 177.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 94.2 mt -59.15 -37.74 78.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.215 177.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 77.1 mtp180 -64.96 -45.83 84.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.215 -179.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.89 -42.0 97.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.293 176.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -57.94 -47.53 82.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.203 177.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 89.3 mt -64.29 -36.69 84.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.263 -179.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 58.1 ttm -59.69 -46.82 87.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.175 176.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -56.27 -48.37 76.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.204 173.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 50.7 t -57.45 -41.66 79.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.21 -178.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 81.4 mt -64.24 -46.37 84.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.161 179.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 87.3 p -63.76 -26.19 68.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.231 -174.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -98.42 -41.62 7.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.201 -174.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 7.2 m-30 -81.38 -58.33 3.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.222 -178.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . 0.424 ' O ' ' HB2' ' B' ' 56' ' ' ASN . 74.2 t -67.39 -20.09 26.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.164 -174.724 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' ASN . . . . . 0.424 ' HB2' ' O ' ' B' ' 55' ' ' VAL . 74.8 m-80 66.21 82.87 0.18 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.221 -172.687 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 12.2 p -163.37 152.96 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.252 -169.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 29.2 t -85.9 149.95 24.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.187 -178.19 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 96.1 mt -58.94 -33.86 71.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.267 179.516 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -62.54 -23.03 66.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.206 179.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -98.6 10.82 40.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.237 -176.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 90.9 mt -113.37 127.59 70.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.202 179.14 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 90.4 mmt-85 -123.76 120.73 33.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.192 173.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 77.9 mt -122.48 123.47 68.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.236 177.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 17.3 t -139.84 -166.93 2.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.206 -173.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -156.8 134.3 10.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.23 -175.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 24.8 pt-20 -129.85 160.24 34.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.199 177.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -91.09 126.04 36.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.152 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' GLN . . . . . 0.441 ' O ' ' HB2' ' B' ' 70' ' ' ASP . 65.6 tp60 -128.25 109.47 11.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.241 173.74 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.441 ' HB2' ' O ' ' B' ' 69' ' ' GLN . 43.9 m-20 69.19 -126.75 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.178 -176.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -100.98 18.97 53.96 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 178.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 21.6 ptp -141.94 173.17 11.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.822 0.344 . . . . 0.0 111.212 178.313 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -110.21 160.43 16.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.174 178.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 90.6 t -125.51 132.74 70.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.158 179.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 57.1 tp -88.6 128.34 35.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.149 178.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 71.2 tt0 -123.98 126.21 45.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.19 -172.09 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . 0.433 ' HB2' ' HB2' ' A' ' 77' ' ' LEU . 5.3 mp -120.91 129.45 53.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.184 177.048 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 75.5 m-80 -124.44 119.38 29.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.178 179.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 5.2 mp -117.7 116.94 53.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.225 -177.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 94.3 m -78.55 121.09 24.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.156 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 71.4 mt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.159 -176.453 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.74 0.305 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -73.28 -50.15 23.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.213 -179.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.59 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 86.7 mt -63.47 -40.08 55.14 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.184 -161.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.59 ' CD ' ' N ' ' A' ' 40' ' ' LEU . 75.5 Cg_exo -51.05 -33.5 43.28 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 121.73 1.62 . . . . 0.0 111.19 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 71.7 p -91.29 -30.07 16.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.232 -179.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 66.9 tp -54.52 -41.36 69.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.16 170.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 75.5 mtp180 -58.05 -49.97 75.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.224 -176.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.58 -40.12 95.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.178 179.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . . . -58.34 -47.58 83.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.217 177.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 94.1 mt -60.8 -35.99 77.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.237 179.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 98.8 mtp -61.97 -48.15 81.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.214 175.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -55.54 -45.9 77.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.188 175.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 55.9 t -53.6 -49.28 56.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.173 179.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 92.6 mt -63.2 -36.75 84.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.214 -176.186 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 60.1 p -65.52 -15.89 63.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.194 -176.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -94.35 -37.65 11.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.216 177.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -75.9 -59.85 2.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.221 -177.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.5 m -103.36 8.29 9.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.207 -171.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 54.75 23.21 4.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.194 172.031 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 74.7 t -85.56 148.77 4.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.161 170.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 28.8 t -94.27 153.11 18.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.186 -166.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 95.7 mt -57.6 -28.34 63.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.222 -179.258 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -73.87 -25.93 60.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.248 175.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -103.16 7.92 38.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.174 -176.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 96.7 mt -104.84 136.24 39.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.201 174.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 89.9 mmt-85 -121.42 143.82 49.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.208 173.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 19.6 tt -152.88 128.78 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.242 -178.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.0 t -141.52 129.27 21.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.226 -175.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -84.26 119.15 24.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.194 177.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -115.92 179.82 3.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.214 -178.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -127.9 133.83 49.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.219 178.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 69.8 tp60 -140.63 121.21 14.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.192 171.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 60.14 -134.0 0.79 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.218 -171.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -98.05 16.91 59.49 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.141 -0.783 . . . . 0.0 111.141 -178.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 72.9 mtm -128.51 161.93 28.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.758 0.314 . . . . 0.0 111.234 175.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -92.84 146.65 23.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.261 174.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 74.7 t -118.63 107.45 21.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.214 175.246 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 62.1 tp -87.26 121.26 29.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.267 179.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -106.75 129.01 54.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.188 -172.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.5 mp -119.81 131.77 55.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.184 177.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -117.43 120.81 39.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.212 -178.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 83.0 mt -107.58 127.36 63.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.154 -176.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 97.1 m -78.42 112.3 15.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.208 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 62.1 mt . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.206 -178.269 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.74 0.305 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -73.28 -50.15 23.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.213 -179.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.59 ' N ' ' CD ' ' B' ' 41' ' ' PRO . 86.7 mt -63.47 -40.08 55.14 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.184 -161.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' PRO . . . . . 0.59 ' CD ' ' N ' ' B' ' 40' ' ' LEU . 75.5 Cg_exo -51.05 -33.5 43.28 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 121.73 1.62 . . . . 0.0 111.19 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 71.7 p -91.29 -30.07 16.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.232 -179.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 66.9 tp -54.52 -41.36 69.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.16 170.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 75.5 mtp180 -58.05 -49.97 75.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.224 -176.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.58 -40.12 95.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.178 179.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -58.34 -47.58 83.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.217 177.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 94.1 mt -60.8 -35.99 77.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.237 179.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 98.8 mtp -61.97 -48.15 81.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.214 175.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -55.54 -45.9 77.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.188 175.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 55.9 t -53.6 -49.28 56.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.173 179.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 92.6 mt -63.2 -36.75 84.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.214 -176.186 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 60.1 p -65.52 -15.89 63.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.194 -176.501 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -94.35 -37.65 11.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.216 177.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -75.9 -59.85 2.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.221 -177.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 34.5 m -103.36 8.29 9.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.207 -171.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 54.75 23.21 4.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.194 172.031 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 74.7 t -85.56 148.77 4.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.161 170.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 28.8 t -94.27 153.11 18.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.186 -166.383 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 95.7 mt -57.6 -28.34 63.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.222 -179.258 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -73.87 -25.93 60.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.248 175.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -103.16 7.92 38.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.174 -176.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 96.7 mt -104.84 136.24 39.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.201 174.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 89.9 mmt-85 -121.42 143.82 49.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.208 173.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 19.6 tt -152.88 128.78 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.242 -178.291 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 48.0 t -141.52 129.27 21.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.226 -175.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -84.26 119.15 24.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.194 177.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -115.92 179.82 3.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.214 -178.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -127.9 133.83 49.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.219 178.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 69.8 tp60 -140.63 121.21 14.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.192 171.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 60.14 -134.0 0.79 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.218 -171.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -98.05 16.91 59.49 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.141 -0.783 . . . . 0.0 111.141 -178.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 72.9 mtm -128.51 161.93 28.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.758 0.314 . . . . 0.0 111.234 175.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -92.84 146.65 23.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.261 174.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 74.7 t -118.63 107.45 21.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.214 175.246 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 62.1 tp -87.26 121.26 29.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.267 179.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -106.75 129.01 54.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.188 -172.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 5.5 mp -119.81 131.77 55.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.184 177.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -117.43 120.81 39.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.212 -178.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 83.0 mt -107.58 127.36 63.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.154 -176.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 97.1 m -78.42 112.3 15.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.208 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 62.1 mt . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.206 -178.269 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.743 0.306 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -114.52 139.39 49.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.159 177.365 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.578 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 96.9 mt -74.69 -40.67 4.17 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.192 -174.076 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.578 ' CD ' ' N ' ' A' ' 40' ' ' LEU . 87.0 Cg_exo -50.56 -41.08 54.17 Favored 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 121.73 1.62 . . . . 0.0 111.174 177.588 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 99.1 m -69.19 -46.11 68.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.228 177.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.7 tp -50.52 -47.53 57.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.245 173.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -61.32 -45.84 92.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.259 -175.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -61.25 -42.51 98.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.177 178.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . . . -59.45 -42.29 91.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.166 177.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 92.9 mt -66.44 -39.25 88.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.192 -179.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 65.0 ttp -58.96 -48.96 79.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.208 175.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -51.91 -48.92 63.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.254 176.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.403 HG11 HG11 ' B' ' 50' ' ' VAL . 47.6 t -56.89 -44.67 82.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.257 -177.054 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 96.8 mt -73.14 -36.97 66.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.217 -174.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 40.5 t -61.06 -38.12 85.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.172 176.178 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -86.95 -30.77 21.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.173 -174.032 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 5.5 m-30 -76.39 -59.2 2.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.219 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.6 ' O ' HG12 ' A' ' 55' ' ' VAL . 59.0 t -88.56 0.69 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 -172.027 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 22.4 t30 66.85 21.62 10.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.231 176.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.409 HG13 HG12 ' A' ' 55' ' ' VAL . 35.3 m -94.77 174.36 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.204 175.251 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 51.5 p -108.47 -179.97 4.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.216 173.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.7 pp -63.99 -21.71 66.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.191 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -68.44 -23.96 64.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.225 -179.594 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -103.48 11.12 36.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.168 -177.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 88.0 mt -119.46 120.62 64.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.182 -177.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.441 ' HB3' ' HB2' ' A' ' 78' ' ' ASN . 46.4 ttp180 -111.45 135.33 52.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.219 175.325 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 79.7 mt -121.62 119.5 59.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.214 178.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 40.6 t -129.06 145.74 51.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.195 -175.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -134.61 126.98 30.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.204 176.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -132.5 137.44 47.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.212 -175.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -87.87 125.73 34.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.263 176.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -144.67 123.81 12.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.19 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 56.3 39.74 30.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.208 173.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 91.58 -9.02 78.08 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 168.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 91.5 mtp -122.97 163.1 21.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.742 0.305 . . . . 0.0 111.231 -177.191 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -103.4 141.31 36.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.171 177.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 95.0 t -118.67 119.63 61.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.174 175.018 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.426 ' HB2' ' HB ' ' B' ' 79' ' ' ILE . 81.4 mt -86.08 142.2 28.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.215 172.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -130.61 126.54 36.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.196 179.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 51.4 mt -114.6 126.08 54.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.222 173.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.441 ' HB2' ' HB3' ' A' ' 63' ' ' ARG . 33.9 m120 -117.93 126.77 52.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.203 -177.242 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.442 ' HB ' ' HB2' ' B' ' 75' ' ' LEU . 5.1 mp -118.03 118.1 57.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.204 -177.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 97.7 m -92.22 117.13 29.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.19 -179.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.1 pt? . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.161 175.849 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.743 0.306 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -114.52 139.39 49.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.159 177.365 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.581 ' N ' ' CD ' ' B' ' 41' ' ' PRO . 96.9 mt -74.69 -40.67 4.17 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.192 -174.076 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' PRO . . . . . 0.581 ' CD ' ' N ' ' B' ' 40' ' ' LEU . 87.0 Cg_exo -50.56 -41.08 54.17 Favored 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 121.73 1.62 . . . . 0.0 111.174 177.588 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 99.1 m -69.19 -46.11 68.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.228 177.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 58.7 tp -50.52 -47.53 57.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.245 173.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -61.32 -45.84 92.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.259 -175.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -61.25 -42.51 98.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.177 178.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -59.45 -42.29 91.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.166 177.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 92.9 mt -66.44 -39.25 88.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.192 -179.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 65.0 ttp -58.96 -48.96 79.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.208 175.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -51.91 -48.92 63.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.254 176.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' VAL . . . . . 0.403 HG11 HG11 ' A' ' 50' ' ' VAL . 47.6 t -56.89 -44.67 82.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.257 -177.054 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 96.8 mt -73.14 -36.97 66.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.217 -174.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 40.5 t -61.06 -38.12 85.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.172 176.178 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -86.95 -30.77 21.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.173 -174.032 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 5.5 m-30 -76.39 -59.2 2.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.219 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . 0.579 ' O ' HG12 ' B' ' 55' ' ' VAL . 59.0 t -88.56 0.69 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 -172.027 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 22.4 t30 66.85 21.62 10.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.231 176.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . 0.429 HG13 HG12 ' B' ' 55' ' ' VAL . 35.3 m -94.77 174.36 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.204 175.251 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 51.5 p -108.47 -179.97 4.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.216 173.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 3.7 pp -63.99 -21.71 66.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.191 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -68.44 -23.96 64.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.225 -179.594 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -103.48 11.12 36.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.168 -177.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 88.0 mt -119.46 120.62 64.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.182 -177.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . 0.449 ' HB3' ' HB2' ' B' ' 78' ' ' ASN . 46.4 ttp180 -111.45 135.33 52.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.219 175.325 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 79.7 mt -121.62 119.5 59.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.214 178.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 40.6 t -129.06 145.74 51.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.195 -175.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -134.61 126.98 30.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.204 176.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -132.5 137.44 47.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.212 -175.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -87.87 125.73 34.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.263 176.146 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -144.67 123.81 12.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.19 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 56.3 39.74 30.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.208 173.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . 91.58 -9.02 78.08 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 168.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 91.5 mtp -122.97 163.1 21.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.742 0.305 . . . . 0.0 111.231 -177.191 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -103.4 141.31 36.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.171 177.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 95.0 t -118.67 119.63 61.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.174 175.018 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . 0.442 ' HB2' ' HB ' ' A' ' 79' ' ' ILE . 81.4 mt -86.08 142.2 28.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.215 172.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -130.61 126.54 36.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.196 179.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 51.4 mt -114.6 126.08 54.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.222 173.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 78' ' ' ASN . . . . . 0.449 ' HB2' ' HB3' ' B' ' 63' ' ' ARG . 33.9 m120 -117.93 126.77 52.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.203 -177.242 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . 0.426 ' HB ' ' HB2' ' A' ' 75' ' ' LEU . 5.1 mp -118.03 118.1 57.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.204 -177.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 97.7 m -92.22 117.13 29.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.19 -179.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 2.1 pt? . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.161 175.849 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.805 0.336 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -108.75 17.48 21.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.214 176.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.556 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 52.3 tp -66.65 -42.34 44.84 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.233 174.542 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.556 ' CD ' ' N ' ' A' ' 40' ' ' LEU . 86.9 Cg_exo -51.21 -41.95 55.9 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 121.699 1.599 . . . . 0.0 111.225 175.735 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 96.0 m -54.27 -49.51 69.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.189 174.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 92.0 mt -61.1 -39.75 91.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.227 178.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -58.88 -45.64 89.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.187 175.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -69.98 -31.68 69.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.216 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . . . -61.05 -42.87 99.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.215 174.5 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 89.8 mt -63.16 -37.88 88.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.189 175.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 87.5 mtp -61.47 -45.92 92.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.163 176.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -53.79 -44.98 70.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.157 173.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 52.8 t -59.09 -42.03 85.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.219 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 89.2 mt -65.79 -35.76 81.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.185 -177.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 65.4 p -66.96 -15.04 63.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.182 179.026 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 99.9 mttt -101.0 -34.97 9.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.204 177.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 10.9 m-30 -77.45 -64.99 1.02 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.203 179.114 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.4 m -107.43 3.94 9.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.275 -170.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 61.99 22.66 13.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.225 171.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 53.5 t -84.6 145.44 8.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.169 174.085 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 31.0 t -94.82 160.58 14.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.235 -167.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 94.6 mt -56.42 -40.3 74.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.22 -177.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -68.61 -18.14 64.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.199 -178.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -101.76 13.08 35.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.219 -175.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 77.5 mt -120.01 131.68 71.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.158 178.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 89.8 mmt-85 -119.79 129.4 54.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 175.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 78.5 mt -127.57 129.78 70.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.201 179.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 47.1 t -149.77 142.25 24.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.223 -179.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -105.38 135.37 46.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.226 -175.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -124.58 -175.42 3.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.216 177.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -128.91 132.41 47.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.186 179.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 67.9 tp60 -133.17 117.3 17.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.209 175.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 64.7 -128.94 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.207 -172.009 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -103.81 20.65 40.74 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 176.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 88.3 mtp -128.17 159.54 34.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.805 0.336 . . . . 0.0 111.202 178.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -98.44 144.69 27.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.188 178.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 72.4 t -124.48 112.04 30.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.232 176.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 59.6 tp -87.87 128.44 35.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.193 177.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -113.49 133.64 55.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.223 -173.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.7 mp -120.77 131.48 54.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.179 175.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -116.81 120.16 37.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.183 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 64.4 mt -109.61 107.78 23.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.183 -173.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 97.7 m -89.24 124.49 34.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.201 -175.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.0 pp . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.193 176.166 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.805 0.336 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -108.75 17.48 21.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.214 176.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.559 ' N ' ' CD ' ' B' ' 41' ' ' PRO . 52.3 tp -66.65 -42.34 44.84 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.233 174.542 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' PRO . . . . . 0.559 ' CD ' ' N ' ' B' ' 40' ' ' LEU . 86.9 Cg_exo -51.21 -41.95 55.9 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 121.699 1.599 . . . . 0.0 111.225 175.735 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 96.0 m -54.27 -49.51 69.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.189 174.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 92.0 mt -61.1 -39.75 91.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.227 178.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -58.88 -45.64 89.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.187 175.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -69.98 -31.68 69.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.216 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -61.05 -42.87 99.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.215 174.5 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 89.8 mt -63.16 -37.88 88.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.189 175.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 87.5 mtp -61.47 -45.92 92.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.163 176.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -53.79 -44.98 70.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.157 173.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 52.8 t -59.09 -42.03 85.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.219 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 89.2 mt -65.79 -35.76 81.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.185 -177.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 65.4 p -66.96 -15.04 63.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.182 179.026 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 99.9 mttt -101.0 -34.97 9.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.204 177.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 10.9 m-30 -77.45 -64.99 1.02 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.203 179.114 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 27.4 m -107.43 3.94 9.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.275 -170.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 61.99 22.66 13.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.225 171.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 53.5 t -84.6 145.44 8.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.169 174.085 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 31.0 t -94.82 160.58 14.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.235 -167.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 94.6 mt -56.42 -40.3 74.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.22 -177.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -68.61 -18.14 64.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.199 -178.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -101.76 13.08 35.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.219 -175.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 77.5 mt -120.01 131.68 71.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.158 178.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 89.8 mmt-85 -119.79 129.4 54.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 175.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 78.5 mt -127.57 129.78 70.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.201 179.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 47.1 t -149.77 142.25 24.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.223 -179.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -105.38 135.37 46.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.226 -175.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -124.58 -175.42 3.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.216 177.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -128.91 132.41 47.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.186 179.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 67.9 tp60 -133.17 117.3 17.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.209 175.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 64.7 -128.94 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.207 -172.009 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -103.81 20.65 40.74 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 176.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 88.3 mtp -128.17 159.54 34.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.805 0.336 . . . . 0.0 111.202 178.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -98.44 144.69 27.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.188 178.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 72.4 t -124.48 112.04 30.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.232 176.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 59.6 tp -87.87 128.44 35.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.193 177.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -113.49 133.64 55.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.223 -173.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 5.7 mp -120.77 131.48 54.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.179 175.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -116.81 120.16 37.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.183 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 64.4 mt -109.61 107.78 23.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.183 -173.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 97.7 m -89.24 124.49 34.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.201 -175.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 4.0 pp . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.193 176.166 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.788 0.328 . . . . 0.0 111.245 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 15.3 m-30 -74.72 -41.48 60.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.214 178.155 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.547 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 72.3 mt -60.65 -43.07 91.14 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.253 -165.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . 0.547 ' CD ' ' N ' ' A' ' 40' ' ' LEU . 71.5 Cg_exo -50.4 -39.98 53.63 Favored 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 121.686 1.591 . . . . 0.0 111.172 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 67.5 p -80.52 -31.47 37.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.207 -176.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 94.3 mt -64.88 -34.98 79.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 171.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 77.5 mtp180 -65.13 -43.79 90.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.192 177.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -55.57 -48.59 74.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.169 171.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . . . -56.85 -41.04 77.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.218 178.23 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 77.1 mt -65.28 -37.13 86.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.218 -179.286 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 99.0 mtp -59.52 -46.28 89.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.224 173.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.26 -40.98 92.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.247 178.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 55.4 t -60.43 -43.66 94.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.178 177.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 78.7 mt -70.29 -36.03 74.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.203 -179.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 42.9 t -58.58 -38.23 77.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.224 176.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -80.32 -27.86 38.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.228 -177.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 10.3 m-30 -79.34 -58.75 3.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.215 -178.101 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.59 ' O ' HG12 ' A' ' 55' ' ' VAL . 77.9 t -88.24 -2.38 8.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.155 -171.124 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 22.9 m120 65.07 29.8 11.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.166 174.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.418 HG13 HG12 ' A' ' 55' ' ' VAL . 34.1 m -112.13 173.88 2.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.162 170.519 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 83.3 p -93.71 173.13 7.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.174 -176.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.12 -28.14 69.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.139 -179.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -70.28 -15.72 62.93 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.142 -178.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 58.1 m-80 -99.4 12.12 37.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.17 -178.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 74.3 mt -121.67 134.55 64.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.197 -177.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 90.5 mmt-85 -126.32 128.85 47.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.169 178.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 58.5 mt -129.0 131.52 68.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.183 174.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 45.3 t -115.03 129.54 56.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.196 -177.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -105.78 110.55 22.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.193 176.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 74.4 mt-10 -130.5 157.35 42.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.155 -172.043 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -100.88 114.77 28.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.162 179.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 69.3 tp60 -103.96 97.93 7.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.257 176.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 62.38 -126.29 0.69 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.191 -174.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -91.94 8.24 78.25 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -178.038 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 51.0 mtt -124.21 159.76 29.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.796 0.332 . . . . 0.0 111.191 177.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -106.15 138.88 41.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.185 174.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 91.0 t -125.44 131.23 72.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.197 -177.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 94.1 mt -97.11 135.05 39.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.202 174.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -120.1 130.06 54.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.217 174.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.529 ' HB2' ' HB2' ' B' ' 77' ' ' LEU . 5.5 mp -117.41 136.31 53.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.247 178.744 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 -130.07 132.84 46.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.205 176.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 19.0 tt -146.77 138.65 18.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.202 177.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 94.2 m -112.56 134.5 54.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.151 -171.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 65.4 tp . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.217 174.333 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.788 0.328 . . . . 0.0 111.245 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 15.3 m-30 -74.72 -41.48 60.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.214 178.155 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.538 ' N ' ' CD ' ' B' ' 41' ' ' PRO . 72.3 mt -60.65 -43.07 91.14 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.253 -165.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' PRO . . . . . 0.538 ' CD ' ' N ' ' B' ' 40' ' ' LEU . 71.5 Cg_exo -50.4 -39.98 53.63 Favored 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 121.686 1.591 . . . . 0.0 111.172 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 67.5 p -80.52 -31.47 37.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.207 -176.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 94.3 mt -64.88 -34.98 79.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 171.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 77.5 mtp180 -65.13 -43.79 90.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.192 177.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -55.57 -48.59 74.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.169 171.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -56.85 -41.04 77.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.218 178.23 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 77.1 mt -65.28 -37.13 86.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.218 -179.286 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 99.0 mtp -59.52 -46.28 89.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.224 173.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.26 -40.98 92.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.247 178.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 55.4 t -60.43 -43.66 94.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.178 177.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 78.7 mt -70.29 -36.03 74.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.203 -179.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 42.9 t -58.58 -38.23 77.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.224 176.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -80.32 -27.86 38.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.228 -177.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 10.3 m-30 -79.34 -58.75 3.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.215 -178.101 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . 0.594 ' O ' HG12 ' B' ' 55' ' ' VAL . 77.9 t -88.24 -2.38 8.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.155 -171.124 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 22.9 m120 65.07 29.8 11.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.166 174.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' VAL . . . . . 0.409 HG13 HG12 ' B' ' 55' ' ' VAL . 34.1 m -112.13 173.88 2.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.162 170.519 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 83.3 p -93.71 173.13 7.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.174 -176.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.12 -28.14 69.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.139 -179.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -70.28 -15.72 62.93 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.142 -178.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 58.1 m-80 -99.4 12.12 37.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.17 -178.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 74.3 mt -121.67 134.55 64.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.197 -177.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 90.5 mmt-85 -126.32 128.85 47.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.169 178.075 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 58.5 mt -129.0 131.52 68.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.183 174.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 45.3 t -115.03 129.54 56.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.196 -177.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -105.78 110.55 22.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.193 176.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 74.4 mt-10 -130.5 157.35 42.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.155 -172.043 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -100.88 114.77 28.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.162 179.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 69.3 tp60 -103.96 97.93 7.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.257 176.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 62.38 -126.29 0.69 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.191 -174.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -91.94 8.24 78.25 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -178.038 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 51.0 mtt -124.21 159.76 29.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.796 0.332 . . . . 0.0 111.191 177.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -106.15 138.88 41.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.185 174.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 91.0 t -125.44 131.23 72.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.197 -177.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 94.1 mt -97.11 135.05 39.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.202 174.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -120.1 130.06 54.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.217 174.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . 0.529 ' HB2' ' HB2' ' A' ' 77' ' ' LEU . 5.5 mp -117.41 136.31 53.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.247 178.744 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 -130.07 132.84 46.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.205 176.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 19.0 tt -146.77 138.65 18.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.202 177.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 94.2 m -112.56 134.5 54.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.151 -171.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 65.4 tp . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.217 174.333 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.574 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 78.3 mt . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.852 0.358 . . . . 0.0 111.235 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.574 ' CD ' ' N ' ' A' ' 40' ' ' LEU . 93.2 Cg_exo -51.64 -38.66 66.12 Favored 'Trans proline' 0 N--CA 1.458 -0.573 0 C-N-CA 121.659 1.573 . . . . 0.0 111.158 177.542 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 70.3 p -77.67 -32.78 53.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.197 -176.199 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 92.2 mt -65.7 -35.97 82.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.223 172.699 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 70.0 mtp180 -66.36 -41.64 89.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.21 177.097 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -62.78 -39.91 95.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.174 174.197 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . . . -60.94 -38.72 86.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.209 176.46 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 80.4 mt -64.73 -36.21 83.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.186 178.378 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 95.4 mtp -61.4 -43.55 98.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.215 175.337 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -58.36 -48.26 81.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.166 175.081 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 54.1 t -59.41 -43.05 89.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.203 -178.617 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 51.8 mt -68.45 -41.96 79.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.172 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 42.8 t -56.52 -35.66 68.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.213 177.576 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -83.06 -31.45 27.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.218 -175.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 8.5 m-30 -74.51 -58.5 3.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.159 -175.646 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 31.5 m -108.22 13.58 8.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.251 -174.572 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 61.98 31.44 18.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.174 165.174 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 34.9 m -93.79 166.25 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.242 171.488 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 82.3 p -94.62 170.53 9.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.179 176.179 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 96.3 mt -62.04 -32.65 73.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.259 -179.135 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -69.01 -16.16 63.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.154 -178.527 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 62.7 m-80 -97.85 10.03 41.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.193 -177.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 75.3 mt -121.66 131.89 72.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.235 -179.287 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 90.5 mmt-85 -123.76 123.52 40.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.174 174.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 57.3 mt -128.95 128.16 67.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.182 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 47.6 t -157.34 149.61 22.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.139 -178.292 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -104.16 145.64 29.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.15 177.575 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -133.91 145.59 49.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.201 174.326 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -76.99 116.07 17.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 -178.591 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 69.4 tp60 -112.57 101.69 9.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.215 174.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 62.63 -128.0 0.62 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.177 -174.145 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -90.85 4.5 81.78 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.3 -0.72 . . . . 0.0 111.3 -179.164 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 76.7 mtm -125.02 171.76 9.98 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.855 0.359 . . . . 0.0 111.141 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -112.7 150.92 30.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.22 176.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 89.5 t -121.35 126.15 74.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.18 175.721 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.401 ' HB3' ' HB ' ' B' ' 79' ' ' ILE . 60.6 tp -89.61 126.69 35.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.218 174.02 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 48.7 tt0 -122.18 130.29 53.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.223 -174.792 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.458 ' HB2' ' HB2' ' B' ' 77' ' ' LEU . 5.5 mp -119.36 138.42 53.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.227 176.324 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -130.44 123.27 29.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.263 177.44 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.2 mp -122.0 123.97 70.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.23 -176.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 97.2 m -80.41 121.07 25.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.176 177.093 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 74.0 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.216 -178.784 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.841 0.353 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 44.2 p90 -95.89 -23.17 17.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.206 -178.317 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.583 ' N ' ' CD ' ' B' ' 41' ' ' PRO . 78.3 mt -69.67 -41.16 15.52 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.235 -173.342 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 41' ' ' PRO . . . . . 0.583 ' CD ' ' N ' ' B' ' 40' ' ' LEU . 93.2 Cg_exo -51.64 -38.66 66.12 Favored 'Trans proline' 0 N--CA 1.458 -0.573 0 C-N-CA 121.659 1.573 . . . . 0.0 111.158 177.542 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 70.3 p -77.67 -32.78 53.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.197 -176.199 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 92.2 mt -65.7 -35.97 82.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.223 172.699 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 70.0 mtp180 -66.36 -41.64 89.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.21 177.097 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -62.78 -39.91 95.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.174 174.197 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -60.94 -38.72 86.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.209 176.46 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 80.4 mt -64.73 -36.21 83.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.186 178.378 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 95.4 mtp -61.4 -43.55 98.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.215 175.337 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -58.36 -48.26 81.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.166 175.081 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 54.1 t -59.41 -43.05 89.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.203 -178.617 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 51.8 mt -68.45 -41.96 79.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.172 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 42.8 t -56.52 -35.66 68.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.213 177.576 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -83.06 -31.45 27.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.218 -175.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 8.5 m-30 -74.51 -58.5 3.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.159 -175.646 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 31.5 m -108.22 13.58 8.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.251 -174.572 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 61.98 31.44 18.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.174 165.174 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 34.9 m -93.79 166.25 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.242 171.488 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 82.3 p -94.62 170.53 9.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.179 176.179 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 96.3 mt -62.04 -32.65 73.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.259 -179.135 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -69.01 -16.16 63.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.154 -178.527 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 62.7 m-80 -97.85 10.03 41.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.193 -177.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 75.3 mt -121.66 131.89 72.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.235 -179.287 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 90.5 mmt-85 -123.76 123.52 40.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.174 174.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 57.3 mt -128.95 128.16 67.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.182 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 47.6 t -157.34 149.61 22.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.139 -178.292 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -104.16 145.64 29.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.15 177.575 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -133.91 145.59 49.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.201 174.326 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -76.99 116.07 17.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 -178.591 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 69.4 tp60 -112.57 101.69 9.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.215 174.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 62.63 -128.0 0.62 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.177 -174.145 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -90.85 4.5 81.78 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.3 -0.72 . . . . 0.0 111.3 -179.164 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 76.7 mtm -125.02 171.76 9.98 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.855 0.359 . . . . 0.0 111.141 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -112.7 150.92 30.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.22 176.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 89.5 t -121.35 126.15 74.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.18 175.721 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 60.6 tp -89.61 126.69 35.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.218 174.02 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 48.7 tt0 -122.18 130.29 53.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.223 -174.792 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.458 ' HB2' ' HB2' ' A' ' 77' ' ' LEU . 5.5 mp -119.36 138.42 53.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.227 176.324 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -130.44 123.27 29.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.263 177.44 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 79' ' ' ILE . . . . . 0.401 ' HB ' ' HB3' ' A' ' 75' ' ' LEU . 5.2 mp -122.0 123.97 70.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.23 -176.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 97.2 m -80.41 121.07 25.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.176 177.093 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 74.0 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.216 -178.784 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.548 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 60.0 tp . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.828 0.346 . . . . 0.0 111.166 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.548 ' CD ' ' N ' ' A' ' 40' ' ' LEU . 80.1 Cg_exo -50.11 -42.69 45.48 Favored 'Trans proline' 0 N--CA 1.457 -0.63 0 C-N-CA 121.777 1.651 . . . . 0.0 111.146 178.164 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 93.2 m -66.46 -50.54 62.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.177 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 67.6 tp -52.03 -49.17 63.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.178 175.311 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 69.2 mtm180 -62.24 -44.92 95.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.215 -176.657 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -53.87 -51.66 62.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.246 177.656 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . . . -57.74 -42.75 84.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.232 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 91.0 mt -68.93 -35.45 76.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.188 -176.735 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 66.4 mtt -60.44 -44.01 96.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.21 173.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -61.98 -41.33 97.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.233 178.782 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 52.5 t -60.08 -44.42 94.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.209 177.329 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 82.2 mt -74.34 -34.37 63.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.224 -176.199 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 41.4 t -55.37 -45.77 76.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.175 172.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -79.42 -29.38 41.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.203 -172.58 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 4.7 m-30 -79.8 -52.79 7.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.238 -176.674 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.516 ' O ' HG12 ' A' ' 55' ' ' VAL . 87.4 t -90.28 -6.52 10.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.198 -173.594 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 55.9 t30 67.39 39.28 2.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.163 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.403 HG13 HG12 ' A' ' 55' ' ' VAL . 35.4 m -115.35 171.43 4.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.246 174.007 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 81.3 p -92.63 171.54 8.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.192 178.793 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 96.3 mt -62.18 -31.71 72.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.159 -178.781 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -72.06 -12.46 61.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.199 -176.692 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -96.74 8.33 44.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.224 -179.283 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 34.9 mm -114.32 134.78 56.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.187 178.233 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 90.8 mmt-85 -125.09 123.22 39.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.2 173.041 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 60.2 mt -130.14 129.58 65.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.212 -179.182 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 44.4 t -148.28 140.79 24.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.224 -177.771 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -110.09 141.56 42.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.24 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -138.75 137.59 36.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.241 -177.378 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -95.19 126.25 40.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.161 178.742 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 70.3 tp60 -142.89 127.2 17.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.225 -176.802 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 61.46 23.1 13.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.187 -178.652 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 93.11 -2.28 71.47 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 173.127 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 61.9 mtt -116.89 154.28 31.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.751 0.31 . . . . 0.0 111.176 -178.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -101.51 133.2 46.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.225 -176.096 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 88.2 t -127.05 130.41 71.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.166 175.676 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 40.2 tp -100.1 137.02 39.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.218 179.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 61.4 tt0 -123.79 131.53 53.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.181 -175.77 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.48 ' HB2' ' HB2' ' B' ' 77' ' ' LEU . 5.4 mp -122.17 140.11 52.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.152 177.248 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -130.62 131.75 45.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.185 176.168 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.0 mp -120.35 118.88 58.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.225 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 99.8 m -92.25 118.55 30.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.205 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 62.6 tp . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.232 174.765 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.774 0.321 . . . . 0.0 111.248 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -95.83 123.68 39.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.151 -175.682 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.538 ' N ' ' CD ' ' B' ' 41' ' ' PRO . 60.0 tp -65.57 -42.84 59.02 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.166 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 41' ' ' PRO . . . . . 0.538 ' CD ' ' N ' ' B' ' 40' ' ' LEU . 80.1 Cg_exo -50.11 -42.69 45.48 Favored 'Trans proline' 0 N--CA 1.457 -0.63 0 C-N-CA 121.777 1.651 . . . . 0.0 111.146 178.164 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 93.2 m -66.46 -50.54 62.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.177 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 67.6 tp -52.03 -49.17 63.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.178 175.311 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 69.2 mtm180 -62.24 -44.92 95.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.215 -176.657 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -53.87 -51.66 62.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.246 177.656 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -57.74 -42.75 84.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.232 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 91.0 mt -68.93 -35.45 76.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.188 -176.735 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 48' ' ' MET . . . . . 0.4 ' HG3' HD12 ' B' ' 64' ' ' ILE . 66.4 mtt -60.44 -44.01 96.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.21 173.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -61.98 -41.33 97.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.233 178.782 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 52.5 t -60.08 -44.42 94.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.209 177.329 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 82.2 mt -74.34 -34.37 63.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.224 -176.199 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 41.4 t -55.37 -45.77 76.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.175 172.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -79.42 -29.38 41.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.203 -172.58 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 4.7 m-30 -79.8 -52.79 7.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.238 -176.674 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 55' ' ' VAL . . . . . 0.519 ' O ' HG12 ' B' ' 55' ' ' VAL . 87.4 t -90.28 -6.52 10.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.198 -173.594 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 55.9 t30 67.39 39.28 2.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.163 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 35.4 m -115.35 171.43 4.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.246 174.007 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 81.3 p -92.63 171.54 8.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.192 178.793 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 96.3 mt -62.18 -31.71 72.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.159 -178.781 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -72.06 -12.46 61.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.199 -176.692 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -96.74 8.33 44.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.224 -179.283 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 34.9 mm -114.32 134.78 56.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.187 178.233 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 90.8 mmt-85 -125.09 123.22 39.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.2 173.041 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 64' ' ' ILE . . . . . 0.4 HD12 ' HG3' ' B' ' 48' ' ' MET . 60.2 mt -130.14 129.58 65.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.212 -179.182 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 44.4 t -148.28 140.79 24.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.224 -177.771 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -110.09 141.56 42.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.24 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -138.75 137.59 36.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.241 -177.378 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -95.19 126.25 40.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.161 178.742 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 70.3 tp60 -142.89 127.2 17.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.225 -176.802 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 61.46 23.1 13.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.187 -178.652 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . 93.11 -2.28 71.47 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 173.127 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 61.9 mtt -116.89 154.28 31.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.751 0.31 . . . . 0.0 111.176 -178.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -101.51 133.2 46.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.225 -176.096 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 88.2 t -127.05 130.41 71.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.166 175.676 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 40.2 tp -100.1 137.02 39.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.218 179.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 61.4 tt0 -123.79 131.53 53.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.181 -175.77 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.48 ' HB2' ' HB2' ' A' ' 77' ' ' LEU . 5.4 mp -122.17 140.11 52.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.152 177.248 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -130.62 131.75 45.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.185 176.168 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 5.0 mp -120.35 118.88 58.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.225 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 99.8 m -92.25 118.55 30.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.205 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 62.6 tp . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.232 174.765 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.561 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 83.7 mt . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.746 0.308 . . . . 0.0 111.146 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.561 ' CD ' ' N ' ' A' ' 40' ' ' LEU . 71.9 Cg_exo -50.48 -46.53 28.95 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 121.691 1.594 . . . . 0.0 111.222 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 94.1 m -70.72 -41.98 71.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.18 178.198 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 95.9 mt -61.78 -32.65 72.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.209 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 71.8 mtp180 -65.51 -45.29 84.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.211 177.634 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -60.36 -46.33 90.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.203 174.398 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . . . -59.36 -41.27 88.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.214 179.255 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 44.1 tp -64.02 -42.25 97.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.179 -179.58 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 97.8 mtp -57.3 -45.64 83.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.233 175.629 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -61.12 -42.53 98.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.222 -179.367 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 52.7 t -59.2 -41.89 85.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.219 177.401 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 44.3 tp -68.75 -42.06 78.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.253 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 80.3 p -62.78 -26.67 68.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -78.77 -33.85 46.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.209 176.557 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 9.3 m-30 -62.72 -42.21 99.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.189 -178.723 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.413 HG23 HG22 ' A' ' 57' ' ' VAL . 27.5 m -113.44 6.4 7.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.187 -178.333 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 58.99 42.49 19.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.237 169.36 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.413 HG22 HG23 ' A' ' 55' ' ' VAL . 25.9 m -110.42 -168.4 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.193 174.389 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 28.9 t -105.17 161.46 14.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.257 178.326 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 95.7 mt -67.92 -14.93 63.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.211 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -67.83 -21.15 65.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.203 179.261 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -97.7 8.31 44.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.166 -178.541 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 79.1 mt -124.07 136.45 60.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.173 -176.109 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 90.8 mmt-85 -129.81 142.27 50.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.221 176.715 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.423 ' HA ' ' O ' ' A' ' 76' ' ' GLU . 19.2 tt -143.68 137.38 24.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.249 177.065 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 45.8 t -142.31 148.88 38.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.279 -173.62 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -112.1 132.61 54.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.202 175.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -140.69 139.54 34.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.243 -178.078 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -92.7 125.45 37.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.18 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 70.3 tp60 -142.36 123.65 14.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.206 -177.642 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 61.09 28.64 18.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.227 179.048 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 95.13 -15.89 62.44 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 175.026 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 90.2 mmm -102.33 152.02 21.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.814 0.34 . . . . 0.0 111.186 -174.22 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -100.54 119.13 38.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.133 178.244 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 86.6 t -115.72 129.5 71.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.207 -174.227 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 81.9 mt -93.79 140.27 29.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.227 173.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.423 ' O ' ' HA ' ' A' ' 64' ' ' ILE . 68.8 tt0 -127.0 118.19 23.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.224 178.496 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.454 ' HB3' ' HB3' ' B' ' 77' ' ' LEU . 53.0 tp -114.65 124.86 52.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.16 -178.831 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -125.72 143.47 51.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.239 -176.657 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 20.2 tt -142.26 136.42 28.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.147 174.576 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 97.4 m -97.32 116.85 30.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.206 178.523 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 78.1 mt . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.204 -178.394 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.791 0.329 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -114.09 125.2 53.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.146 -179.479 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.565 ' N ' ' CD ' ' B' ' 41' ' ' PRO . 83.7 mt -64.17 -41.91 64.62 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 -171.62 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 41' ' ' PRO . . . . . 0.565 ' CD ' ' N ' ' B' ' 40' ' ' LEU . 71.9 Cg_exo -50.48 -46.53 28.95 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 121.691 1.594 . . . . 0.0 111.222 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 94.1 m -70.72 -41.98 71.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.18 178.198 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 95.9 mt -61.78 -32.65 72.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.209 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 71.8 mtp180 -65.51 -45.29 84.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.211 177.634 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -60.36 -46.33 90.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.203 174.398 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -59.36 -41.27 88.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.214 179.255 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 44.1 tp -64.02 -42.25 97.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.179 -179.58 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 97.8 mtp -57.3 -45.64 83.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.233 175.629 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -61.12 -42.53 98.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.222 -179.367 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 52.7 t -59.2 -41.89 85.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.219 177.401 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 44.3 tp -68.75 -42.06 78.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.253 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 80.3 p -62.78 -26.67 68.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -78.77 -33.85 46.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.209 176.557 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 9.3 m-30 -62.72 -42.21 99.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.189 -178.723 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 55' ' ' VAL . . . . . 0.424 HG23 HG22 ' B' ' 57' ' ' VAL . 27.5 m -113.44 6.4 7.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.187 -178.333 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 58.99 42.49 19.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.237 169.36 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.424 HG22 HG23 ' B' ' 55' ' ' VAL . 25.9 m -110.42 -168.4 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.193 174.389 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 28.9 t -105.17 161.46 14.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.257 178.326 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 95.7 mt -67.92 -14.93 63.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.211 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -67.83 -21.15 65.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.203 179.261 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -97.7 8.31 44.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.166 -178.541 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 79.1 mt -124.07 136.45 60.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.173 -176.109 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 90.8 mmt-85 -129.81 142.27 50.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.221 176.715 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 64' ' ' ILE . . . . . 0.426 ' HA ' ' O ' ' B' ' 76' ' ' GLU . 19.2 tt -143.68 137.38 24.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.249 177.065 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 45.8 t -142.31 148.88 38.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.279 -173.62 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -112.1 132.61 54.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.202 175.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -140.69 139.54 34.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.243 -178.078 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -92.7 125.45 37.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.18 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 70.3 tp60 -142.36 123.65 14.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.206 -177.642 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 61.09 28.64 18.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.227 179.048 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . 95.13 -15.89 62.44 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 175.026 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 90.2 mmm -102.33 152.02 21.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.814 0.34 . . . . 0.0 111.186 -174.22 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -100.54 119.13 38.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.133 178.244 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 86.6 t -115.72 129.5 71.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.207 -174.227 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 81.9 mt -93.79 140.27 29.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.227 173.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 76' ' ' GLU . . . . . 0.426 ' O ' ' HA ' ' B' ' 64' ' ' ILE . 68.8 tt0 -127.0 118.19 23.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.224 178.496 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.454 ' HB3' ' HB3' ' A' ' 77' ' ' LEU . 53.0 tp -114.65 124.86 52.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.16 -178.831 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -125.72 143.47 51.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.239 -176.657 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 20.2 tt -142.26 136.42 28.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.147 174.576 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 97.4 m -97.32 116.85 30.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.206 178.523 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 78.1 mt . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.204 -178.394 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.571 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 54.2 tp . . . . . 0 CA--C 1.523 -0.081 0 CA-C-O 120.808 0.337 . . . . 0.0 111.221 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.571 ' CD ' ' N ' ' A' ' 40' ' ' LEU . 85.0 Cg_exo -52.78 -35.24 68.63 Favored 'Trans proline' 0 N--CA 1.459 -0.548 0 C-N-CA 121.691 1.594 . . . . 0.0 111.18 177.041 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 60.4 p -75.63 -33.91 60.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.225 -177.193 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 89.5 mt -64.61 -40.32 95.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.212 169.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 77.7 mtp180 -64.93 -40.19 94.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.2 178.441 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -65.69 -40.53 92.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.243 175.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . . . -61.72 -37.5 84.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.16 177.215 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 77.6 mt -64.75 -44.66 89.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.178 176.221 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 98.9 mtp -58.65 -39.85 81.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.196 176.811 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -56.28 -56.44 21.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.143 178.563 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 28.6 m -70.29 -25.76 27.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.179 -172.016 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.2 mp -69.86 -39.91 76.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.2 173.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 82.7 p -65.66 -29.96 70.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.175 178.773 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -79.12 -35.88 41.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.176 -173.121 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -80.26 -39.93 27.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.163 -175.534 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.531 ' O ' HG12 ' A' ' 55' ' ' VAL . 66.0 t -96.78 -4.85 9.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.199 -176.389 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 64.04 34.23 11.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.187 175.283 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.47 HG13 HG12 ' A' ' 55' ' ' VAL . 29.2 m -105.08 175.24 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.209 173.437 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 79.0 p -98.82 168.22 10.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.169 176.291 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 95.3 mt -64.13 -27.24 68.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.23 -179.304 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -69.97 -17.31 63.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.159 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 63.0 m-80 -99.79 9.23 43.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.172 -179.533 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 85.4 mt -119.84 136.05 58.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.24 -178.318 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 90.1 mmt-85 -123.1 148.32 45.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.169 174.793 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 19.4 tt -152.88 130.3 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.199 -178.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.2 t -159.87 145.11 15.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.264 -178.41 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -106.14 140.34 39.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.228 178.666 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -136.23 141.23 43.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.205 -176.101 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -97.63 121.11 39.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.226 179.468 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 69.5 tp60 -138.86 125.49 20.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.198 -178.443 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 61.23 27.53 17.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.184 -179.423 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 92.68 -15.76 61.78 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 176.62 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 95.3 mtp -101.72 148.28 25.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.773 0.32 . . . . 0.0 111.196 -173.698 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -100.43 127.8 46.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.228 -179.516 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 96.3 t -123.6 124.48 69.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.203 177.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 55.1 tp -92.34 128.48 38.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.224 174.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 58.7 tt0 -118.42 132.2 56.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.176 -174.442 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.42 ' HB2' ' HB2' ' B' ' 77' ' ' LEU . 4.4 mp -121.92 141.86 50.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.221 175.592 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -133.05 135.03 45.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.241 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 88.2 mt -118.0 117.22 54.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.181 172.013 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 97.4 m -92.8 118.44 31.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.251 -176.071 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 81.7 mt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.225 176.49 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.8 0.333 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -99.81 18.24 18.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.255 176.272 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.576 ' N ' ' CD ' ' B' ' 41' ' ' PRO . 54.2 tp -71.22 -42.03 11.27 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.221 175.528 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 41' ' ' PRO . . . . . 0.576 ' CD ' ' N ' ' B' ' 40' ' ' LEU . 85.0 Cg_exo -52.78 -35.24 68.63 Favored 'Trans proline' 0 N--CA 1.459 -0.548 0 C-N-CA 121.691 1.594 . . . . 0.0 111.18 177.041 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 60.4 p -75.63 -33.91 60.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.225 -177.193 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 89.5 mt -64.61 -40.32 95.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.212 169.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 77.7 mtp180 -64.93 -40.19 94.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.2 178.441 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -65.69 -40.53 92.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.243 175.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -61.72 -37.5 84.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.16 177.215 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 77.6 mt -64.75 -44.66 89.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.178 176.221 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 98.9 mtp -58.65 -39.85 81.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.196 176.811 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -56.28 -56.44 21.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.143 178.563 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 28.6 m -70.29 -25.76 27.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.179 -172.016 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 6.2 mp -69.86 -39.91 76.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.2 173.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 82.7 p -65.66 -29.96 70.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.175 178.773 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -79.12 -35.88 41.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.176 -173.121 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -80.26 -39.93 27.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.163 -175.534 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 55' ' ' VAL . . . . . 0.526 ' O ' HG12 ' B' ' 55' ' ' VAL . 66.0 t -96.78 -4.85 9.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.199 -176.389 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 64.04 34.23 11.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.187 175.283 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.471 HG13 HG12 ' B' ' 55' ' ' VAL . 29.2 m -105.08 175.24 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.209 173.437 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 79.0 p -98.82 168.22 10.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.169 176.291 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 95.3 mt -64.13 -27.24 68.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.23 -179.304 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -69.97 -17.31 63.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.159 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 63.0 m-80 -99.79 9.23 43.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.172 -179.533 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 85.4 mt -119.84 136.05 58.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.24 -178.318 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 90.1 mmt-85 -123.1 148.32 45.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.169 174.793 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 19.4 tt -152.88 130.3 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.199 -178.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 48.2 t -159.87 145.11 15.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.264 -178.41 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -106.14 140.34 39.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.228 178.666 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -136.23 141.23 43.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.205 -176.101 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -97.63 121.11 39.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.226 179.468 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 69.5 tp60 -138.86 125.49 20.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.198 -178.443 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 61.23 27.53 17.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.184 -179.423 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . 92.68 -15.76 61.78 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 176.62 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 95.3 mtp -101.72 148.28 25.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.773 0.32 . . . . 0.0 111.196 -173.698 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -100.43 127.8 46.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.228 -179.516 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 96.3 t -123.6 124.48 69.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.203 177.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 55.1 tp -92.34 128.48 38.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.224 174.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 58.7 tt0 -118.42 132.2 56.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.176 -174.442 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.42 ' HB2' ' HB2' ' A' ' 77' ' ' LEU . 4.4 mp -121.92 141.86 50.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.221 175.592 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -133.05 135.03 45.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.241 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 88.2 mt -118.0 117.22 54.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.181 172.013 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 97.4 m -92.8 118.44 31.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.251 -176.071 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 81.7 mt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.225 176.49 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.606 ' HB3' ' HD3' ' A' ' 41' ' ' PRO . 60.8 tp . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.836 0.35 . . . . 0.0 111.225 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.606 ' HD3' ' HB3' ' A' ' 40' ' ' LEU . 70.0 Cg_exo -48.3 -39.42 35.14 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 121.669 1.58 . . . . 0.0 111.205 177.146 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 97.3 m -70.62 -41.33 72.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.218 176.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 87.5 mt -59.25 -33.63 71.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.192 177.399 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -65.01 -47.63 76.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.195 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.02 -37.68 88.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.199 175.416 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . . . -59.5 -40.74 88.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.147 175.134 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 79.0 mt -67.53 -36.3 80.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.222 178.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 68.0 mtt -56.97 -48.63 77.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.169 173.732 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 61.9 tt0 -54.04 -47.97 71.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.192 174.779 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 52.8 t -59.81 -41.89 87.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.194 -176.739 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 85.7 mt -73.56 -36.96 65.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.21 -176.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 82.6 p -67.07 -22.16 65.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.219 178.004 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -92.29 -31.38 15.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.19 177.499 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 7.3 m-30 -77.58 -60.36 2.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.164 -178.34 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.61 ' O ' HG12 ' A' ' 55' ' ' VAL . 84.4 t -95.94 0.17 10.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.215 -173.604 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 47.1 t30 64.05 28.9 14.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.173 175.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 32.9 m -90.69 168.65 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.17 174.16 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 77.9 p -102.48 174.01 6.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.194 176.445 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 96.4 mt -60.86 -33.54 73.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.103 -179.335 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -67.88 -17.1 64.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.164 -179.391 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 64.1 m-80 -103.53 10.77 36.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.194 -177.603 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 84.0 mt -121.18 126.46 75.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.225 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 89.8 mmt-85 -123.2 126.19 46.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.158 175.735 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 71.3 mt -124.47 128.21 73.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.215 178.605 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 17.5 t -139.55 -167.05 2.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.207 -176.275 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -167.43 136.78 2.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.246 -176.54 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.2 pt-20 -142.36 156.7 45.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.195 178.276 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -93.32 115.27 27.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.23 -179.46 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -109.56 105.5 14.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.166 176.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 62.02 -131.82 0.61 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.235 -169.148 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -92.65 10.07 74.67 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -179.582 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 56.1 mtt -118.72 157.59 27.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.877 0.37 . . . . 0.0 111.154 178.198 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -109.22 142.19 40.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.198 174.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 90.6 t -123.96 122.54 64.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.176 -178.021 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.43 ' HB2' ' HB ' ' B' ' 79' ' ' ILE . 84.8 mt -77.66 147.61 35.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.229 170.071 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 58.8 tt0 -133.69 129.22 36.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.215 -179.534 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.425 ' HB2' ' HB2' ' B' ' 77' ' ' LEU . 5.2 mp -121.32 137.18 54.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.207 174.671 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -126.05 129.49 49.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.21 177.19 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.41 ' HB ' ' HB2' ' B' ' 75' ' ' LEU . 5.0 mp -121.26 115.56 47.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.171 -179.454 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 98.5 m -90.17 119.82 30.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.208 -175.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 59.4 tp . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.256 173.545 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.796 0.331 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -89.67 -43.37 10.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.228 -177.458 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.611 ' HB3' ' HD3' ' B' ' 41' ' ' PRO . 60.8 tp -57.41 -45.63 99.87 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.225 -176.056 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 41' ' ' PRO . . . . . 0.611 ' HD3' ' HB3' ' B' ' 40' ' ' LEU . 70.0 Cg_exo -48.3 -39.42 35.14 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 121.669 1.58 . . . . 0.0 111.205 177.146 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 97.3 m -70.62 -41.33 72.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.218 176.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 87.5 mt -59.25 -33.63 71.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.192 177.399 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -65.01 -47.63 76.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.195 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.02 -37.68 88.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.199 175.416 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -59.5 -40.74 88.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.147 175.134 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 79.0 mt -67.53 -36.3 80.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.222 178.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 68.0 mtt -56.97 -48.63 77.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.169 173.732 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 61.9 tt0 -54.04 -47.97 71.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.192 174.779 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 52.8 t -59.81 -41.89 87.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.194 -176.739 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 85.7 mt -73.56 -36.96 65.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.21 -176.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 82.6 p -67.07 -22.16 65.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.219 178.004 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -92.29 -31.38 15.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.19 177.499 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 7.3 m-30 -77.58 -60.36 2.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.164 -178.34 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 55' ' ' VAL . . . . . 0.598 ' O ' HG12 ' B' ' 55' ' ' VAL . 84.4 t -95.94 0.17 10.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.215 -173.604 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 47.1 t30 64.05 28.9 14.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.173 175.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 32.9 m -90.69 168.65 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.17 174.16 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 77.9 p -102.48 174.01 6.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.194 176.445 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 96.4 mt -60.86 -33.54 73.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.103 -179.335 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -67.88 -17.1 64.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.164 -179.391 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 64.1 m-80 -103.53 10.77 36.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.194 -177.603 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 84.0 mt -121.18 126.46 75.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.225 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 89.8 mmt-85 -123.2 126.19 46.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.158 175.735 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 71.3 mt -124.47 128.21 73.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.215 178.605 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 17.5 t -139.55 -167.05 2.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.207 -176.275 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -167.43 136.78 2.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.246 -176.54 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 27.2 pt-20 -142.36 156.7 45.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.195 178.276 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -93.32 115.27 27.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.23 -179.46 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -109.56 105.5 14.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.166 176.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 62.02 -131.82 0.61 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.235 -169.148 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -92.65 10.07 74.67 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -179.582 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 56.1 mtt -118.72 157.59 27.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.877 0.37 . . . . 0.0 111.154 178.198 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -109.22 142.19 40.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.198 174.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 90.6 t -123.96 122.54 64.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.176 -178.021 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.41 ' HB2' ' HB ' ' A' ' 79' ' ' ILE . 84.8 mt -77.66 147.61 35.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.229 170.071 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 58.8 tt0 -133.69 129.22 36.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.215 -179.534 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.425 ' HB2' ' HB2' ' A' ' 77' ' ' LEU . 5.2 mp -121.32 137.18 54.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.207 174.671 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -126.05 129.49 49.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.21 177.19 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 79' ' ' ILE . . . . . 0.43 ' HB ' ' HB2' ' A' ' 75' ' ' LEU . 5.0 mp -121.26 115.56 47.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.171 -179.454 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 98.5 m -90.17 119.82 30.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.208 -175.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 59.4 tp . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.256 173.545 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.56 ' HB3' ' HD3' ' A' ' 41' ' ' PRO . 56.7 tp . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.847 0.356 . . . . 0.0 111.235 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.56 ' HD3' ' HB3' ' A' ' 40' ' ' LEU . 79.1 Cg_exo -50.05 -40.43 50.21 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 121.775 1.65 . . . . 0.0 111.201 178.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 98.8 m -69.97 -43.11 72.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.208 177.331 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 94.2 mt -59.15 -37.74 78.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.215 177.329 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 77.1 mtp180 -64.96 -45.83 84.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.215 -179.652 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.89 -42.0 97.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.293 176.405 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . . . -57.94 -47.53 82.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.203 177.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 89.3 mt -64.29 -36.69 84.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.263 -179.285 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 58.1 ttm -59.69 -46.82 87.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.175 176.165 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -56.27 -48.37 76.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.204 173.734 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 50.7 t -57.45 -41.66 79.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.21 -178.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 81.4 mt -64.24 -46.37 84.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.161 179.6 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 87.3 p -63.76 -26.19 68.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.231 -174.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -98.42 -41.62 7.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.201 -174.543 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 7.2 m-30 -81.38 -58.33 3.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.222 -178.432 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.428 ' O ' ' HB2' ' A' ' 56' ' ' ASN . 74.2 t -67.39 -20.09 26.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.164 -174.724 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.428 ' HB2' ' O ' ' A' ' 55' ' ' VAL . 74.8 m-80 66.21 82.87 0.18 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.221 -172.687 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.2 p -163.37 152.96 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.252 -169.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.2 t -85.9 149.95 24.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.187 -178.19 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 96.1 mt -58.94 -33.86 71.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.267 179.516 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -62.54 -23.03 66.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.206 179.038 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -98.6 10.82 40.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.237 -176.298 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 90.9 mt -113.37 127.59 70.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.202 179.14 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 90.4 mmt-85 -123.76 120.73 33.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.192 173.065 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 77.9 mt -122.48 123.47 68.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.236 177.057 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 17.3 t -139.84 -166.93 2.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.206 -173.454 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -156.8 134.3 10.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.23 -175.761 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.8 pt-20 -129.85 160.24 34.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.199 177.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -91.09 126.04 36.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.152 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.436 ' O ' ' HB2' ' A' ' 70' ' ' ASP . 65.6 tp60 -128.25 109.47 11.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.241 173.74 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.436 ' HB2' ' O ' ' A' ' 69' ' ' GLN . 43.9 m-20 69.19 -126.75 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.178 -176.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -100.98 18.97 53.96 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 178.462 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 21.6 ptp -141.94 173.17 11.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.822 0.344 . . . . 0.0 111.212 178.313 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -110.21 160.43 16.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.174 178.183 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 90.6 t -125.51 132.74 70.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.158 179.634 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 57.1 tp -88.6 128.34 35.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.149 178.619 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 71.2 tt0 -123.98 126.21 45.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.19 -172.09 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.425 ' HB2' ' HB2' ' B' ' 77' ' ' LEU . 5.3 mp -120.91 129.45 53.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.184 177.048 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 75.5 m-80 -124.44 119.38 29.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.178 179.21 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.2 mp -117.7 116.94 53.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.225 -177.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 94.3 m -78.55 121.09 24.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.156 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 71.4 mt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.159 -176.453 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.821 0.343 . . . . 0.0 111.234 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -82.17 -32.61 29.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.163 -178.173 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.584 ' HB3' ' HD3' ' B' ' 41' ' ' PRO . 56.7 tp -63.44 -44.27 81.48 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.235 -167.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 41' ' ' PRO . . . . . 0.584 ' HD3' ' HB3' ' B' ' 40' ' ' LEU . 79.1 Cg_exo -50.05 -40.43 50.21 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 121.775 1.65 . . . . 0.0 111.201 178.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 98.8 m -69.97 -43.11 72.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.208 177.331 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 94.2 mt -59.15 -37.74 78.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.215 177.329 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 77.1 mtp180 -64.96 -45.83 84.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.215 -179.652 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.89 -42.0 97.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.293 176.405 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -57.94 -47.53 82.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.203 177.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 89.3 mt -64.29 -36.69 84.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.263 -179.285 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 58.1 ttm -59.69 -46.82 87.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.175 176.165 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -56.27 -48.37 76.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.204 173.734 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 50.7 t -57.45 -41.66 79.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.21 -178.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 81.4 mt -64.24 -46.37 84.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.161 179.6 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 87.3 p -63.76 -26.19 68.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.231 -174.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -98.42 -41.62 7.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.201 -174.543 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 7.2 m-30 -81.38 -58.33 3.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.222 -178.432 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 55' ' ' VAL . . . . . 0.425 ' O ' ' HB2' ' B' ' 56' ' ' ASN . 74.2 t -67.39 -20.09 26.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.164 -174.724 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 56' ' ' ASN . . . . . 0.425 ' HB2' ' O ' ' B' ' 55' ' ' VAL . 74.8 m-80 66.21 82.87 0.18 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.221 -172.687 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 12.2 p -163.37 152.96 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.252 -169.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 29.2 t -85.9 149.95 24.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.187 -178.19 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 96.1 mt -58.94 -33.86 71.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.267 179.516 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -62.54 -23.03 66.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.206 179.038 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -98.6 10.82 40.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.237 -176.298 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 90.9 mt -113.37 127.59 70.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.202 179.14 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 90.4 mmt-85 -123.76 120.73 33.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.192 173.065 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 77.9 mt -122.48 123.47 68.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.236 177.057 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 17.3 t -139.84 -166.93 2.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.206 -173.454 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -156.8 134.3 10.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.23 -175.761 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 24.8 pt-20 -129.85 160.24 34.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.199 177.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -91.09 126.04 36.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.152 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 69' ' ' GLN . . . . . 0.44 ' O ' ' HB2' ' B' ' 70' ' ' ASP . 65.6 tp60 -128.25 109.47 11.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.241 173.74 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.44 ' HB2' ' O ' ' B' ' 69' ' ' GLN . 43.9 m-20 69.19 -126.75 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.178 -176.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -100.98 18.97 53.96 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 178.462 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 21.6 ptp -141.94 173.17 11.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.822 0.344 . . . . 0.0 111.212 178.313 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -110.21 160.43 16.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.174 178.183 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 90.6 t -125.51 132.74 70.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.158 179.634 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 57.1 tp -88.6 128.34 35.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.149 178.619 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 71.2 tt0 -123.98 126.21 45.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.19 -172.09 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.425 ' HB2' ' HB2' ' A' ' 77' ' ' LEU . 5.3 mp -120.91 129.45 53.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.184 177.048 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 75.5 m-80 -124.44 119.38 29.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.178 179.21 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 5.2 mp -117.7 116.94 53.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.225 -177.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 94.3 m -78.55 121.09 24.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.156 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 71.4 mt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.159 -176.453 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.59 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 86.7 mt . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.784 0.326 . . . . 0.0 111.184 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.59 ' CD ' ' N ' ' A' ' 40' ' ' LEU . 75.5 Cg_exo -51.05 -33.5 43.28 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 121.73 1.62 . . . . 0.0 111.19 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 71.7 p -91.29 -30.07 16.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.232 -179.286 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 66.9 tp -54.52 -41.36 69.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.16 170.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 75.5 mtp180 -58.05 -49.97 75.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.224 -176.786 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.58 -40.12 95.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.178 179.116 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . . . -58.34 -47.58 83.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.217 177.168 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 94.1 mt -60.8 -35.99 77.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.237 179.489 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 98.8 mtp -61.97 -48.15 81.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.214 175.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -55.54 -45.9 77.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.188 175.413 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 55.9 t -53.6 -49.28 56.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.173 179.108 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 92.6 mt -63.2 -36.75 84.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.214 -176.186 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 60.1 p -65.52 -15.89 63.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.194 -176.501 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -94.35 -37.65 11.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.216 177.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -75.9 -59.85 2.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.221 -177.419 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.5 m -103.36 8.29 9.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.207 -171.2 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 54.75 23.21 4.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.194 172.031 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 74.7 t -85.56 148.77 4.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.161 170.384 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 28.8 t -94.27 153.11 18.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.186 -166.383 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 95.7 mt -57.6 -28.34 63.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.222 -179.258 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -73.87 -25.93 60.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.248 175.656 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -103.16 7.92 38.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.174 -176.169 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 96.7 mt -104.84 136.24 39.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.201 174.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 89.9 mmt-85 -121.42 143.82 49.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.208 173.529 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 19.6 tt -152.88 128.78 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.242 -178.291 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.0 t -141.52 129.27 21.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.226 -175.577 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -84.26 119.15 24.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.194 177.448 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -115.92 179.82 3.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.214 -178.421 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -127.9 133.83 49.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.219 178.542 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 69.8 tp60 -140.63 121.21 14.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.192 171.156 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 60.14 -134.0 0.79 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.218 -171.749 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -98.05 16.91 59.49 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.141 -0.783 . . . . 0.0 111.141 -178.625 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 72.9 mtm -128.51 161.93 28.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.758 0.314 . . . . 0.0 111.234 175.175 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -92.84 146.65 23.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.261 174.676 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 74.7 t -118.63 107.45 21.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.214 175.246 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 62.1 tp -87.26 121.26 29.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.267 179.508 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -106.75 129.01 54.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.188 -172.603 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.5 mp -119.81 131.77 55.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.184 177.745 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -117.43 120.81 39.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.212 -178.152 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 83.0 mt -107.58 127.36 63.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.154 -176.676 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 97.1 m -78.42 112.3 15.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.208 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 62.1 mt . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.206 -178.269 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.74 0.305 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -73.28 -50.15 23.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.213 -179.351 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.59 ' N ' ' CD ' ' B' ' 41' ' ' PRO . 86.7 mt -63.47 -40.08 55.14 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.184 -161.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 41' ' ' PRO . . . . . 0.59 ' CD ' ' N ' ' B' ' 40' ' ' LEU . 75.5 Cg_exo -51.05 -33.5 43.28 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 121.73 1.62 . . . . 0.0 111.19 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 71.7 p -91.29 -30.07 16.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.232 -179.286 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 66.9 tp -54.52 -41.36 69.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.16 170.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 75.5 mtp180 -58.05 -49.97 75.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.224 -176.786 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.58 -40.12 95.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.178 179.116 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -58.34 -47.58 83.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.217 177.168 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 94.1 mt -60.8 -35.99 77.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.237 179.489 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 98.8 mtp -61.97 -48.15 81.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.214 175.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -55.54 -45.9 77.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.188 175.413 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 55.9 t -53.6 -49.28 56.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.173 179.108 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 92.6 mt -63.2 -36.75 84.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.214 -176.186 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 60.1 p -65.52 -15.89 63.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.194 -176.501 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -94.35 -37.65 11.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.216 177.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -75.9 -59.85 2.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.221 -177.419 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 34.5 m -103.36 8.29 9.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.207 -171.2 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 54.75 23.21 4.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.194 172.031 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 74.7 t -85.56 148.77 4.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.161 170.384 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 28.8 t -94.27 153.11 18.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.186 -166.383 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 95.7 mt -57.6 -28.34 63.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.222 -179.258 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -73.87 -25.93 60.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.248 175.656 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -103.16 7.92 38.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.174 -176.169 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 96.7 mt -104.84 136.24 39.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.201 174.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 89.9 mmt-85 -121.42 143.82 49.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.208 173.529 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 19.6 tt -152.88 128.78 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.242 -178.291 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 48.0 t -141.52 129.27 21.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.226 -175.577 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -84.26 119.15 24.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.194 177.448 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -115.92 179.82 3.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.214 -178.421 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -127.9 133.83 49.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.219 178.542 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 69.8 tp60 -140.63 121.21 14.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.192 171.156 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 60.14 -134.0 0.79 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.218 -171.749 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -98.05 16.91 59.49 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.141 -0.783 . . . . 0.0 111.141 -178.625 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 72.9 mtm -128.51 161.93 28.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.758 0.314 . . . . 0.0 111.234 175.175 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -92.84 146.65 23.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.261 174.676 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 74.7 t -118.63 107.45 21.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.214 175.246 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 62.1 tp -87.26 121.26 29.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.267 179.508 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -106.75 129.01 54.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.188 -172.603 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 5.5 mp -119.81 131.77 55.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.184 177.745 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -117.43 120.81 39.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.212 -178.152 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 83.0 mt -107.58 127.36 63.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.154 -176.676 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 97.1 m -78.42 112.3 15.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.208 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 62.1 mt . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.206 -178.269 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.578 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 96.9 mt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.8 0.333 . . . . 0.0 111.192 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.578 ' CD ' ' N ' ' A' ' 40' ' ' LEU . 87.0 Cg_exo -50.56 -41.08 54.17 Favored 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 121.73 1.62 . . . . 0.0 111.174 177.588 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 99.1 m -69.19 -46.11 68.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.228 177.388 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.7 tp -50.52 -47.53 57.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.245 173.746 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -61.32 -45.84 92.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.259 -175.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -61.25 -42.51 98.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.177 178.279 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . . . -59.45 -42.29 91.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.166 177.676 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 92.9 mt -66.44 -39.25 88.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.192 -179.413 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 65.0 ttp -58.96 -48.96 79.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.208 175.302 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -51.91 -48.92 63.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.254 176.789 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.401 HG11 HG11 ' B' ' 50' ' ' VAL . 47.6 t -56.89 -44.67 82.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.257 -177.054 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 96.8 mt -73.14 -36.97 66.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.217 -174.304 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 40.5 t -61.06 -38.12 85.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.172 176.178 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -86.95 -30.77 21.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.173 -174.032 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 5.5 m-30 -76.39 -59.2 2.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.219 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.6 ' O ' HG12 ' A' ' 55' ' ' VAL . 59.0 t -88.56 0.69 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 -172.027 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 22.4 t30 66.85 21.62 10.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.231 176.356 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.408 HG13 HG12 ' A' ' 55' ' ' VAL . 35.3 m -94.77 174.36 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.204 175.251 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 51.5 p -108.47 -179.97 4.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.216 173.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.7 pp -63.99 -21.71 66.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.191 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -68.44 -23.96 64.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.225 -179.594 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -103.48 11.12 36.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.168 -177.177 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 88.0 mt -119.46 120.62 64.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.182 -177.496 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.443 ' HB3' ' HB2' ' A' ' 78' ' ' ASN . 46.4 ttp180 -111.45 135.33 52.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.219 175.325 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 79.7 mt -121.62 119.5 59.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.214 178.765 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 40.6 t -129.06 145.74 51.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.195 -175.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -134.61 126.98 30.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.204 176.229 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -132.5 137.44 47.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.212 -175.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -87.87 125.73 34.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.263 176.146 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -144.67 123.81 12.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.19 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 56.3 39.74 30.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.208 173.604 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 91.58 -9.02 78.08 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 168.426 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 91.5 mtp -122.97 163.1 21.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.742 0.305 . . . . 0.0 111.231 -177.191 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -103.4 141.31 36.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.171 177.242 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 95.0 t -118.67 119.63 61.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.174 175.018 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LEU . . . . . 0.414 ' HB2' ' HB ' ' B' ' 79' ' ' ILE . 81.4 mt -86.08 142.2 28.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.215 172.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -130.61 126.54 36.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.196 179.045 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 51.4 mt -114.6 126.08 54.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.222 173.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.443 ' HB2' ' HB3' ' A' ' 63' ' ' ARG . 33.9 m120 -117.93 126.77 52.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.203 -177.242 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.427 ' HB ' ' HB2' ' B' ' 75' ' ' LEU . 5.1 mp -118.03 118.1 57.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.204 -177.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 97.7 m -92.22 117.13 29.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.19 -179.605 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.1 pt? . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.161 175.849 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.743 0.306 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -114.52 139.39 49.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.159 177.365 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.581 ' N ' ' CD ' ' B' ' 41' ' ' PRO . 96.9 mt -74.69 -40.67 4.17 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.192 -174.076 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 41' ' ' PRO . . . . . 0.581 ' CD ' ' N ' ' B' ' 40' ' ' LEU . 87.0 Cg_exo -50.56 -41.08 54.17 Favored 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 121.73 1.62 . . . . 0.0 111.174 177.588 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 99.1 m -69.19 -46.11 68.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.228 177.388 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 58.7 tp -50.52 -47.53 57.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.245 173.746 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -61.32 -45.84 92.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.259 -175.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -61.25 -42.51 98.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.177 178.279 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -59.45 -42.29 91.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.166 177.676 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 92.9 mt -66.44 -39.25 88.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.192 -179.413 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 65.0 ttp -58.96 -48.96 79.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.208 175.302 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -51.91 -48.92 63.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.254 176.789 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 50' ' ' VAL . . . . . 0.401 HG11 HG11 ' A' ' 50' ' ' VAL . 47.6 t -56.89 -44.67 82.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.257 -177.054 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 96.8 mt -73.14 -36.97 66.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.217 -174.304 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 40.5 t -61.06 -38.12 85.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.172 176.178 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -86.95 -30.77 21.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.173 -174.032 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 5.5 m-30 -76.39 -59.2 2.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.219 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 55' ' ' VAL . . . . . 0.579 ' O ' HG12 ' B' ' 55' ' ' VAL . 59.0 t -88.56 0.69 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 -172.027 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 22.4 t30 66.85 21.62 10.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.231 176.356 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.428 HG13 HG12 ' B' ' 55' ' ' VAL . 35.3 m -94.77 174.36 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.204 175.251 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 51.5 p -108.47 -179.97 4.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.216 173.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 3.7 pp -63.99 -21.71 66.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.191 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -68.44 -23.96 64.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.225 -179.594 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -103.48 11.12 36.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.168 -177.177 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 88.0 mt -119.46 120.62 64.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.182 -177.496 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 63' ' ' ARG . . . . . 0.449 ' HB3' ' HB2' ' B' ' 78' ' ' ASN . 46.4 ttp180 -111.45 135.33 52.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.219 175.325 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 79.7 mt -121.62 119.5 59.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.214 178.765 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 40.6 t -129.06 145.74 51.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.195 -175.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -134.61 126.98 30.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.204 176.229 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -132.5 137.44 47.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.212 -175.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -87.87 125.73 34.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.263 176.146 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -144.67 123.81 12.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.19 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 56.3 39.74 30.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.208 173.604 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . 91.58 -9.02 78.08 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 168.426 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 91.5 mtp -122.97 163.1 21.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.742 0.305 . . . . 0.0 111.231 -177.191 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -103.4 141.31 36.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.171 177.242 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 95.0 t -118.67 119.63 61.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.174 175.018 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 75' ' ' LEU . . . . . 0.427 ' HB2' ' HB ' ' A' ' 79' ' ' ILE . 81.4 mt -86.08 142.2 28.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.215 172.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -130.61 126.54 36.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.196 179.045 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 51.4 mt -114.6 126.08 54.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.222 173.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 78' ' ' ASN . . . . . 0.449 ' HB2' ' HB3' ' B' ' 63' ' ' ARG . 33.9 m120 -117.93 126.77 52.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.203 -177.242 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 79' ' ' ILE . . . . . 0.414 ' HB ' ' HB2' ' A' ' 75' ' ' LEU . 5.1 mp -118.03 118.1 57.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.204 -177.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 97.7 m -92.22 117.13 29.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.19 -179.605 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 2.1 pt? . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.161 175.849 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.556 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 52.3 tp . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.812 0.339 . . . . 0.0 111.233 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.556 ' CD ' ' N ' ' A' ' 40' ' ' LEU . 86.9 Cg_exo -51.21 -41.95 55.9 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 121.699 1.599 . . . . 0.0 111.225 175.735 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 96.0 m -54.27 -49.51 69.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.189 174.725 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 92.0 mt -61.1 -39.75 91.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.227 178.361 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -58.88 -45.64 89.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.187 175.308 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -69.98 -31.68 69.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.216 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . . . -61.05 -42.87 99.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.215 174.5 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 89.8 mt -63.16 -37.88 88.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.189 175.485 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 87.5 mtp -61.47 -45.92 92.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.163 176.444 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -53.79 -44.98 70.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.157 173.392 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 52.8 t -59.09 -42.03 85.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.219 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 89.2 mt -65.79 -35.76 81.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.185 -177.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 65.4 p -66.96 -15.04 63.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.182 179.026 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 99.9 mttt -101.0 -34.97 9.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.204 177.53 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 10.9 m-30 -77.45 -64.99 1.02 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.203 179.114 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.4 m -107.43 3.94 9.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.275 -170.732 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 61.99 22.66 13.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.225 171.622 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 53.5 t -84.6 145.44 8.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.169 174.085 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 31.0 t -94.82 160.58 14.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.235 -167.768 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 94.6 mt -56.42 -40.3 74.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.22 -177.154 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -68.61 -18.14 64.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.199 -178.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -101.76 13.08 35.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.219 -175.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 77.5 mt -120.01 131.68 71.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.158 178.392 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 89.8 mmt-85 -119.79 129.4 54.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 175.42 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 78.5 mt -127.57 129.78 70.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.201 179.726 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 47.1 t -149.77 142.25 24.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.223 -179.267 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -105.38 135.37 46.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.226 -175.27 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -124.58 -175.42 3.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.216 177.558 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -128.91 132.41 47.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.186 179.21 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 67.9 tp60 -133.17 117.3 17.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.209 175.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 64.7 -128.94 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.207 -172.009 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -103.81 20.65 40.74 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 176.791 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 88.3 mtp -128.17 159.54 34.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.805 0.336 . . . . 0.0 111.202 178.25 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -98.44 144.69 27.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.188 178.563 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 72.4 t -124.48 112.04 30.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.232 176.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 59.6 tp -87.87 128.44 35.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.193 177.247 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -113.49 133.64 55.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.223 -173.454 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.7 mp -120.77 131.48 54.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.179 175.797 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -116.81 120.16 37.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.183 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 64.4 mt -109.61 107.78 23.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.183 -173.441 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 97.7 m -89.24 124.49 34.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.201 -175.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.0 pp . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.193 176.166 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.805 0.336 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -108.75 17.48 21.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.214 176.437 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.559 ' N ' ' CD ' ' B' ' 41' ' ' PRO . 52.3 tp -66.65 -42.34 44.84 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.233 174.542 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 41' ' ' PRO . . . . . 0.559 ' CD ' ' N ' ' B' ' 40' ' ' LEU . 86.9 Cg_exo -51.21 -41.95 55.9 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 121.699 1.599 . . . . 0.0 111.225 175.735 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 96.0 m -54.27 -49.51 69.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.189 174.725 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 92.0 mt -61.1 -39.75 91.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.227 178.361 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -58.88 -45.64 89.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.187 175.308 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -69.98 -31.68 69.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.216 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -61.05 -42.87 99.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.215 174.5 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 89.8 mt -63.16 -37.88 88.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.189 175.485 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 87.5 mtp -61.47 -45.92 92.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.163 176.444 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -53.79 -44.98 70.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.157 173.392 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 52.8 t -59.09 -42.03 85.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.219 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 89.2 mt -65.79 -35.76 81.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.185 -177.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 65.4 p -66.96 -15.04 63.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.182 179.026 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 99.9 mttt -101.0 -34.97 9.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.204 177.53 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 10.9 m-30 -77.45 -64.99 1.02 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.203 179.114 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 27.4 m -107.43 3.94 9.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.275 -170.732 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 61.99 22.66 13.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.225 171.622 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 53.5 t -84.6 145.44 8.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.169 174.085 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 31.0 t -94.82 160.58 14.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.235 -167.768 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 94.6 mt -56.42 -40.3 74.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.22 -177.154 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -68.61 -18.14 64.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.199 -178.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -101.76 13.08 35.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.219 -175.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 77.5 mt -120.01 131.68 71.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.158 178.392 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 89.8 mmt-85 -119.79 129.4 54.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 175.42 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 78.5 mt -127.57 129.78 70.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.201 179.726 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 47.1 t -149.77 142.25 24.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.223 -179.267 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -105.38 135.37 46.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.226 -175.27 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -124.58 -175.42 3.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.216 177.558 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -128.91 132.41 47.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.186 179.21 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 67.9 tp60 -133.17 117.3 17.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.209 175.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 64.7 -128.94 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.207 -172.009 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -103.81 20.65 40.74 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 176.791 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 88.3 mtp -128.17 159.54 34.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.805 0.336 . . . . 0.0 111.202 178.25 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -98.44 144.69 27.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.188 178.563 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 72.4 t -124.48 112.04 30.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.232 176.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 59.6 tp -87.87 128.44 35.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.193 177.247 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -113.49 133.64 55.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.223 -173.454 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 5.7 mp -120.77 131.48 54.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.179 175.797 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -116.81 120.16 37.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.183 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 64.4 mt -109.61 107.78 23.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.183 -173.441 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 97.7 m -89.24 124.49 34.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.201 -175.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 4.0 pp . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.193 176.166 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.547 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 72.3 mt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.836 0.35 . . . . 0.0 111.253 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PRO . . . . . 0.547 ' CD ' ' N ' ' A' ' 40' ' ' LEU . 71.5 Cg_exo -50.4 -39.98 53.63 Favored 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 121.686 1.591 . . . . 0.0 111.172 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 67.5 p -80.52 -31.47 37.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.207 -176.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 94.3 mt -64.88 -34.98 79.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 171.275 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 77.5 mtp180 -65.13 -43.79 90.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.192 177.401 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -55.57 -48.59 74.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.169 171.414 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . . . -56.85 -41.04 77.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.218 178.23 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 77.1 mt -65.28 -37.13 86.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.218 -179.286 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 99.0 mtp -59.52 -46.28 89.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.224 173.766 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.26 -40.98 92.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.247 178.643 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 55.4 t -60.43 -43.66 94.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.178 177.142 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 78.7 mt -70.29 -36.03 74.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.203 -179.654 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 42.9 t -58.58 -38.23 77.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.224 176.593 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -80.32 -27.86 38.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.228 -177.376 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 10.3 m-30 -79.34 -58.75 3.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.215 -178.101 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.59 ' O ' HG12 ' A' ' 55' ' ' VAL . 77.9 t -88.24 -2.38 8.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.155 -171.124 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 22.9 m120 65.07 29.8 11.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.166 174.715 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.417 HG13 HG12 ' A' ' 55' ' ' VAL . 34.1 m -112.13 173.88 2.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.162 170.519 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 83.3 p -93.71 173.13 7.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.174 -176.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.12 -28.14 69.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.139 -179.369 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -70.28 -15.72 62.93 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.142 -178.26 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 58.1 m-80 -99.4 12.12 37.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.17 -178.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 74.3 mt -121.67 134.55 64.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.197 -177.727 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 90.5 mmt-85 -126.32 128.85 47.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.169 178.075 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 58.5 mt -129.0 131.52 68.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.183 174.457 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 45.3 t -115.03 129.54 56.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.196 -177.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -105.78 110.55 22.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.193 176.528 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 74.4 mt-10 -130.5 157.35 42.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.155 -172.043 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -100.88 114.77 28.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.162 179.659 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 69.3 tp60 -103.96 97.93 7.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.257 176.118 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 62.38 -126.29 0.69 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.191 -174.416 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -91.94 8.24 78.25 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -178.038 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 51.0 mtt -124.21 159.76 29.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.796 0.332 . . . . 0.0 111.191 177.554 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -106.15 138.88 41.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.185 174.823 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 91.0 t -125.44 131.23 72.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.197 -177.478 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 94.1 mt -97.11 135.05 39.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.202 174.489 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -120.1 130.06 54.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.217 174.714 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.521 ' HB2' ' HB2' ' B' ' 77' ' ' LEU . 5.5 mp -117.41 136.31 53.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.247 178.744 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 -130.07 132.84 46.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.205 176.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 19.0 tt -146.77 138.65 18.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.202 177.787 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 94.2 m -112.56 134.5 54.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.151 -171.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 65.4 tp . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.217 174.333 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.788 0.328 . . . . 0.0 111.245 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 15.3 m-30 -74.72 -41.48 60.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.214 178.155 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.538 ' N ' ' CD ' ' B' ' 41' ' ' PRO . 72.3 mt -60.65 -43.07 91.14 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.253 -165.827 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 41' ' ' PRO . . . . . 0.538 ' CD ' ' N ' ' B' ' 40' ' ' LEU . 71.5 Cg_exo -50.4 -39.98 53.63 Favored 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 121.686 1.591 . . . . 0.0 111.172 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 67.5 p -80.52 -31.47 37.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.207 -176.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 94.3 mt -64.88 -34.98 79.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 171.275 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 77.5 mtp180 -65.13 -43.79 90.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.192 177.401 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -55.57 -48.59 74.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.169 171.414 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -56.85 -41.04 77.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.218 178.23 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 77.1 mt -65.28 -37.13 86.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.218 -179.286 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 99.0 mtp -59.52 -46.28 89.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.224 173.766 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.26 -40.98 92.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.247 178.643 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 55.4 t -60.43 -43.66 94.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.178 177.142 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 78.7 mt -70.29 -36.03 74.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.203 -179.654 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 42.9 t -58.58 -38.23 77.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.224 176.593 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -80.32 -27.86 38.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.228 -177.376 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 10.3 m-30 -79.34 -58.75 3.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.215 -178.101 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 55' ' ' VAL . . . . . 0.594 ' O ' HG12 ' B' ' 55' ' ' VAL . 77.9 t -88.24 -2.38 8.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.155 -171.124 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 22.9 m120 65.07 29.8 11.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.166 174.715 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 57' ' ' VAL . . . . . 0.408 HG13 HG12 ' B' ' 55' ' ' VAL . 34.1 m -112.13 173.88 2.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.162 170.519 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 83.3 p -93.71 173.13 7.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.174 -176.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.12 -28.14 69.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.139 -179.369 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -70.28 -15.72 62.93 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.142 -178.26 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 58.1 m-80 -99.4 12.12 37.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.17 -178.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 74.3 mt -121.67 134.55 64.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.197 -177.727 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 90.5 mmt-85 -126.32 128.85 47.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.169 178.075 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 58.5 mt -129.0 131.52 68.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.183 174.457 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 45.3 t -115.03 129.54 56.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.196 -177.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -105.78 110.55 22.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.193 176.528 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 74.4 mt-10 -130.5 157.35 42.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.155 -172.043 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -100.88 114.77 28.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.162 179.659 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 69.3 tp60 -103.96 97.93 7.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.257 176.118 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 62.38 -126.29 0.69 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.191 -174.416 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -91.94 8.24 78.25 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -178.038 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 51.0 mtt -124.21 159.76 29.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.796 0.332 . . . . 0.0 111.191 177.554 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -106.15 138.88 41.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.185 174.823 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 91.0 t -125.44 131.23 72.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.197 -177.478 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 94.1 mt -97.11 135.05 39.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.202 174.489 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -120.1 130.06 54.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.217 174.714 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.521 ' HB2' ' HB2' ' A' ' 77' ' ' LEU . 5.5 mp -117.41 136.31 53.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.247 178.744 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 -130.07 132.84 46.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.205 176.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 19.0 tt -146.77 138.65 18.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.202 177.787 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 94.2 m -112.56 134.5 54.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.151 -171.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 65.4 tp . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.217 174.333 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.841 0.353 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 44.2 p90 -95.89 -23.17 17.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.206 -178.317 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.574 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 78.3 mt -69.67 -41.16 15.52 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.235 -173.342 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.574 ' CD ' ' N ' ' A' ' 40' ' ' LEU . 93.2 Cg_exo -51.64 -38.66 66.12 Favored 'Trans proline' 0 N--CA 1.458 -0.573 0 C-N-CA 121.659 1.573 . . . . 0.0 111.158 177.542 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 70.3 p -77.67 -32.78 53.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.197 -176.199 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 92.2 mt -65.7 -35.97 82.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.223 172.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 70.0 mtp180 -66.36 -41.64 89.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.21 177.097 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -62.78 -39.91 95.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.174 174.197 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . . . -60.94 -38.72 86.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.209 176.46 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 80.4 mt -64.73 -36.21 83.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.186 178.378 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 95.4 mtp -61.4 -43.55 98.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.215 175.337 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -58.36 -48.26 81.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.166 175.081 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 54.1 t -59.41 -43.05 89.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.203 -178.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 51.8 mt -68.45 -41.96 79.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.172 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 42.8 t -56.52 -35.66 68.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.213 177.576 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -83.06 -31.45 27.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.218 -175.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 8.5 m-30 -74.51 -58.5 3.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.159 -175.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 31.5 m -108.22 13.58 8.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.251 -174.572 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 61.98 31.44 18.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.174 165.174 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 34.9 m -93.79 166.25 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.242 171.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 82.3 p -94.62 170.53 9.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.179 176.179 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 96.3 mt -62.04 -32.65 73.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.259 -179.135 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -69.01 -16.16 63.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.154 -178.527 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 62.7 m-80 -97.85 10.03 41.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.193 -177.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 75.3 mt -121.66 131.89 72.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.235 -179.287 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 90.5 mmt-85 -123.76 123.52 40.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.174 174.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 57.3 mt -128.95 128.16 67.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.182 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 47.6 t -157.34 149.61 22.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.139 -178.292 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -104.16 145.64 29.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.15 177.575 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -133.91 145.59 49.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.201 174.326 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -76.99 116.07 17.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 -178.591 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 69.4 tp60 -112.57 101.69 9.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.215 174.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 62.63 -128.0 0.62 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.177 -174.145 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -90.85 4.5 81.78 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.3 -0.72 . . . . 0.0 111.3 -179.164 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 76.7 mtm -125.02 171.76 9.98 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.855 0.359 . . . . 0.0 111.141 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -112.7 150.92 30.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.22 176.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 89.5 t -121.35 126.15 74.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.18 175.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.401 ' HB3' ' HB ' ' B' ' 79' ' ' ILE . 60.6 tp -89.61 126.69 35.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.218 174.02 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 48.7 tt0 -122.18 130.29 53.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.223 -174.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.458 ' HB2' ' HB2' ' B' ' 77' ' ' LEU . 5.5 mp -119.36 138.42 53.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.227 176.324 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -130.44 123.27 29.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.263 177.44 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.2 mp -122.0 123.97 70.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.23 -176.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 97.2 m -80.41 121.07 25.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.176 177.093 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 74.0 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.216 -178.784 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.841 0.353 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 44.2 p90 -95.89 -23.17 17.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.206 -178.317 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.583 ' N ' ' CD ' ' B' ' 41' ' ' PRO . 78.3 mt -69.67 -41.16 15.52 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.235 -173.342 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 41' ' ' PRO . . . . . 0.583 ' CD ' ' N ' ' B' ' 40' ' ' LEU . 93.2 Cg_exo -51.64 -38.66 66.12 Favored 'Trans proline' 0 N--CA 1.458 -0.573 0 C-N-CA 121.659 1.573 . . . . 0.0 111.158 177.542 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 70.3 p -77.67 -32.78 53.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.197 -176.199 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 92.2 mt -65.7 -35.97 82.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.223 172.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 70.0 mtp180 -66.36 -41.64 89.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.21 177.097 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -62.78 -39.91 95.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.174 174.197 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -60.94 -38.72 86.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.209 176.46 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 80.4 mt -64.73 -36.21 83.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.186 178.378 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 95.4 mtp -61.4 -43.55 98.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.215 175.337 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -58.36 -48.26 81.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.166 175.081 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 54.1 t -59.41 -43.05 89.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.203 -178.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 51.8 mt -68.45 -41.96 79.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.172 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 42.8 t -56.52 -35.66 68.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.213 177.576 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -83.06 -31.45 27.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.218 -175.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 8.5 m-30 -74.51 -58.5 3.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.159 -175.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 31.5 m -108.22 13.58 8.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.251 -174.572 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 61.98 31.44 18.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.174 165.174 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 34.9 m -93.79 166.25 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.242 171.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 82.3 p -94.62 170.53 9.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.179 176.179 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 96.3 mt -62.04 -32.65 73.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.259 -179.135 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -69.01 -16.16 63.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.154 -178.527 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 62.7 m-80 -97.85 10.03 41.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.193 -177.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 75.3 mt -121.66 131.89 72.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.235 -179.287 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 90.5 mmt-85 -123.76 123.52 40.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.174 174.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 57.3 mt -128.95 128.16 67.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.182 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 47.6 t -157.34 149.61 22.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.139 -178.292 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -104.16 145.64 29.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.15 177.575 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -133.91 145.59 49.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.201 174.326 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -76.99 116.07 17.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 -178.591 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 69.4 tp60 -112.57 101.69 9.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.215 174.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 62.63 -128.0 0.62 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.177 -174.145 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -90.85 4.5 81.78 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.3 -0.72 . . . . 0.0 111.3 -179.164 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 76.7 mtm -125.02 171.76 9.98 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.855 0.359 . . . . 0.0 111.141 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -112.7 150.92 30.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.22 176.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 89.5 t -121.35 126.15 74.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.18 175.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 60.6 tp -89.61 126.69 35.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.218 174.02 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 48.7 tt0 -122.18 130.29 53.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.223 -174.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.458 ' HB2' ' HB2' ' A' ' 77' ' ' LEU . 5.5 mp -119.36 138.42 53.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.227 176.324 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -130.44 123.27 29.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.263 177.44 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 79' ' ' ILE . . . . . 0.401 ' HB ' ' HB3' ' A' ' 75' ' ' LEU . 5.2 mp -122.0 123.97 70.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.23 -176.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 97.2 m -80.41 121.07 25.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.176 177.093 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 74.0 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.216 -178.784 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.774 0.321 . . . . 0.0 111.248 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -95.83 123.68 39.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.151 -175.682 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.548 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 60.0 tp -65.57 -42.84 59.02 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.166 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.548 ' CD ' ' N ' ' A' ' 40' ' ' LEU . 80.1 Cg_exo -50.11 -42.69 45.48 Favored 'Trans proline' 0 N--CA 1.457 -0.63 0 C-N-CA 121.777 1.651 . . . . 0.0 111.146 178.164 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 93.2 m -66.46 -50.54 62.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.177 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 67.6 tp -52.03 -49.17 63.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.178 175.311 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 69.2 mtm180 -62.24 -44.92 95.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.215 -176.657 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -53.87 -51.66 62.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.246 177.656 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . . . -57.74 -42.75 84.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.232 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 91.0 mt -68.93 -35.45 76.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.188 -176.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 66.4 mtt -60.44 -44.01 96.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.21 173.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -61.98 -41.33 97.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.233 178.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 52.5 t -60.08 -44.42 94.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.209 177.329 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 82.2 mt -74.34 -34.37 63.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.224 -176.199 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 41.4 t -55.37 -45.77 76.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.175 172.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -79.42 -29.38 41.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.203 -172.58 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 4.7 m-30 -79.8 -52.79 7.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.238 -176.674 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.516 ' O ' HG12 ' A' ' 55' ' ' VAL . 87.4 t -90.28 -6.52 10.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.198 -173.594 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 55.9 t30 67.39 39.28 2.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.163 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.403 HG13 HG12 ' A' ' 55' ' ' VAL . 35.4 m -115.35 171.43 4.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.246 174.007 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 81.3 p -92.63 171.54 8.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.192 178.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 96.3 mt -62.18 -31.71 72.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.159 -178.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -72.06 -12.46 61.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.199 -176.692 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -96.74 8.33 44.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.224 -179.283 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 34.9 mm -114.32 134.78 56.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.187 178.233 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 90.8 mmt-85 -125.09 123.22 39.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.2 173.041 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 60.2 mt -130.14 129.58 65.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.212 -179.182 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 44.4 t -148.28 140.79 24.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.224 -177.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -110.09 141.56 42.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.24 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -138.75 137.59 36.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.241 -177.378 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -95.19 126.25 40.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.161 178.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 70.3 tp60 -142.89 127.2 17.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.225 -176.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 61.46 23.1 13.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.187 -178.652 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 93.11 -2.28 71.47 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 173.127 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 61.9 mtt -116.89 154.28 31.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.751 0.31 . . . . 0.0 111.176 -178.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -101.51 133.2 46.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.225 -176.096 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 88.2 t -127.05 130.41 71.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.166 175.676 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 40.2 tp -100.1 137.02 39.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.218 179.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 61.4 tt0 -123.79 131.53 53.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.181 -175.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.48 ' HB2' ' HB2' ' B' ' 77' ' ' LEU . 5.4 mp -122.17 140.11 52.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.152 177.248 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -130.62 131.75 45.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.185 176.168 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.0 mp -120.35 118.88 58.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.225 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 99.8 m -92.25 118.55 30.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.205 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 62.6 tp . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.232 174.765 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.774 0.321 . . . . 0.0 111.248 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -95.83 123.68 39.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.151 -175.682 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.538 ' N ' ' CD ' ' B' ' 41' ' ' PRO . 60.0 tp -65.57 -42.84 59.02 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.166 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 41' ' ' PRO . . . . . 0.538 ' CD ' ' N ' ' B' ' 40' ' ' LEU . 80.1 Cg_exo -50.11 -42.69 45.48 Favored 'Trans proline' 0 N--CA 1.457 -0.63 0 C-N-CA 121.777 1.651 . . . . 0.0 111.146 178.164 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 93.2 m -66.46 -50.54 62.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.177 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 67.6 tp -52.03 -49.17 63.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.178 175.311 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 69.2 mtm180 -62.24 -44.92 95.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.215 -176.657 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -53.87 -51.66 62.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.246 177.656 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -57.74 -42.75 84.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.232 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 91.0 mt -68.93 -35.45 76.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.188 -176.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' MET . . . . . 0.4 ' HG3' HD12 ' B' ' 64' ' ' ILE . 66.4 mtt -60.44 -44.01 96.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.21 173.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -61.98 -41.33 97.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.233 178.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 52.5 t -60.08 -44.42 94.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.209 177.329 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 82.2 mt -74.34 -34.37 63.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.224 -176.199 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 41.4 t -55.37 -45.77 76.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.175 172.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -79.42 -29.38 41.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.203 -172.58 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 4.7 m-30 -79.8 -52.79 7.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.238 -176.674 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 55' ' ' VAL . . . . . 0.519 ' O ' HG12 ' B' ' 55' ' ' VAL . 87.4 t -90.28 -6.52 10.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.198 -173.594 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 55.9 t30 67.39 39.28 2.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.163 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 35.4 m -115.35 171.43 4.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.246 174.007 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 81.3 p -92.63 171.54 8.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.192 178.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 96.3 mt -62.18 -31.71 72.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.159 -178.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -72.06 -12.46 61.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.199 -176.692 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -96.74 8.33 44.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.224 -179.283 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 34.9 mm -114.32 134.78 56.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.187 178.233 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 90.8 mmt-85 -125.09 123.22 39.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.2 173.041 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 64' ' ' ILE . . . . . 0.4 HD12 ' HG3' ' B' ' 48' ' ' MET . 60.2 mt -130.14 129.58 65.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.212 -179.182 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 44.4 t -148.28 140.79 24.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.224 -177.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -110.09 141.56 42.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.24 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -138.75 137.59 36.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.241 -177.378 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -95.19 126.25 40.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.161 178.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 70.3 tp60 -142.89 127.2 17.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.225 -176.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 61.46 23.1 13.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.187 -178.652 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . 93.11 -2.28 71.47 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 173.127 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 61.9 mtt -116.89 154.28 31.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.751 0.31 . . . . 0.0 111.176 -178.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -101.51 133.2 46.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.225 -176.096 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 88.2 t -127.05 130.41 71.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.166 175.676 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 40.2 tp -100.1 137.02 39.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.218 179.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 61.4 tt0 -123.79 131.53 53.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.181 -175.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.48 ' HB2' ' HB2' ' A' ' 77' ' ' LEU . 5.4 mp -122.17 140.11 52.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.152 177.248 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -130.62 131.75 45.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.185 176.168 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 5.0 mp -120.35 118.88 58.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.225 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 99.8 m -92.25 118.55 30.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.205 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 62.6 tp . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.232 174.765 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.791 0.329 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -114.09 125.2 53.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.146 -179.479 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.561 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 83.7 mt -64.17 -41.91 64.62 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 -171.62 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.561 ' CD ' ' N ' ' A' ' 40' ' ' LEU . 71.9 Cg_exo -50.48 -46.53 28.95 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 121.691 1.594 . . . . 0.0 111.222 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 94.1 m -70.72 -41.98 71.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.18 178.198 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 95.9 mt -61.78 -32.65 72.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.209 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 71.8 mtp180 -65.51 -45.29 84.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.211 177.634 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -60.36 -46.33 90.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.203 174.398 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . . . -59.36 -41.27 88.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.214 179.255 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 44.1 tp -64.02 -42.25 97.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.179 -179.58 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 97.8 mtp -57.3 -45.64 83.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.233 175.629 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -61.12 -42.53 98.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.222 -179.367 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 52.7 t -59.2 -41.89 85.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.219 177.401 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 44.3 tp -68.75 -42.06 78.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.253 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 80.3 p -62.78 -26.67 68.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -78.77 -33.85 46.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.209 176.557 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 9.3 m-30 -62.72 -42.21 99.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.189 -178.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.413 HG23 HG22 ' A' ' 57' ' ' VAL . 27.5 m -113.44 6.4 7.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.187 -178.333 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 58.99 42.49 19.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.237 169.36 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.413 HG22 HG23 ' A' ' 55' ' ' VAL . 25.9 m -110.42 -168.4 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.193 174.389 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 28.9 t -105.17 161.46 14.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.257 178.326 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 95.7 mt -67.92 -14.93 63.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.211 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -67.83 -21.15 65.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.203 179.261 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -97.7 8.31 44.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.166 -178.541 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 79.1 mt -124.07 136.45 60.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.173 -176.109 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 90.8 mmt-85 -129.81 142.27 50.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.221 176.715 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.423 ' HA ' ' O ' ' A' ' 76' ' ' GLU . 19.2 tt -143.68 137.38 24.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.249 177.065 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 45.8 t -142.31 148.88 38.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.279 -173.62 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -112.1 132.61 54.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.202 175.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -140.69 139.54 34.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.243 -178.078 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -92.7 125.45 37.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.18 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 70.3 tp60 -142.36 123.65 14.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.206 -177.642 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 61.09 28.64 18.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.227 179.048 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 95.13 -15.89 62.44 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 175.026 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 90.2 mmm -102.33 152.02 21.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.814 0.34 . . . . 0.0 111.186 -174.22 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -100.54 119.13 38.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.133 178.244 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 86.6 t -115.72 129.5 71.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.207 -174.227 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 81.9 mt -93.79 140.27 29.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.227 173.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.423 ' O ' ' HA ' ' A' ' 64' ' ' ILE . 68.8 tt0 -127.0 118.19 23.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.224 178.496 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.454 ' HB3' ' HB3' ' B' ' 77' ' ' LEU . 53.0 tp -114.65 124.86 52.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.16 -178.831 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -125.72 143.47 51.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.239 -176.657 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 20.2 tt -142.26 136.42 28.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.147 174.576 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 97.4 m -97.32 116.85 30.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.206 178.523 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 78.1 mt . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.204 -178.394 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.791 0.329 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -114.09 125.2 53.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.146 -179.479 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.565 ' N ' ' CD ' ' B' ' 41' ' ' PRO . 83.7 mt -64.17 -41.91 64.62 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 -171.62 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 41' ' ' PRO . . . . . 0.565 ' CD ' ' N ' ' B' ' 40' ' ' LEU . 71.9 Cg_exo -50.48 -46.53 28.95 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 121.691 1.594 . . . . 0.0 111.222 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 94.1 m -70.72 -41.98 71.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.18 178.198 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 95.9 mt -61.78 -32.65 72.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.209 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 71.8 mtp180 -65.51 -45.29 84.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.211 177.634 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -60.36 -46.33 90.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.203 174.398 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -59.36 -41.27 88.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.214 179.255 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 44.1 tp -64.02 -42.25 97.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.179 -179.58 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 97.8 mtp -57.3 -45.64 83.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.233 175.629 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -61.12 -42.53 98.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.222 -179.367 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 52.7 t -59.2 -41.89 85.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.219 177.401 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 44.3 tp -68.75 -42.06 78.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.253 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 80.3 p -62.78 -26.67 68.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -78.77 -33.85 46.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.209 176.557 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 9.3 m-30 -62.72 -42.21 99.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.189 -178.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 55' ' ' VAL . . . . . 0.424 HG23 HG22 ' B' ' 57' ' ' VAL . 27.5 m -113.44 6.4 7.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.187 -178.333 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 58.99 42.49 19.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.237 169.36 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.424 HG22 HG23 ' B' ' 55' ' ' VAL . 25.9 m -110.42 -168.4 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.193 174.389 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 28.9 t -105.17 161.46 14.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.257 178.326 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 95.7 mt -67.92 -14.93 63.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.211 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -67.83 -21.15 65.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.203 179.261 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -97.7 8.31 44.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.166 -178.541 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 79.1 mt -124.07 136.45 60.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.173 -176.109 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 90.8 mmt-85 -129.81 142.27 50.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.221 176.715 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 64' ' ' ILE . . . . . 0.426 ' HA ' ' O ' ' B' ' 76' ' ' GLU . 19.2 tt -143.68 137.38 24.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.249 177.065 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 45.8 t -142.31 148.88 38.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.279 -173.62 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -112.1 132.61 54.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.202 175.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -140.69 139.54 34.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.243 -178.078 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -92.7 125.45 37.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.18 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 70.3 tp60 -142.36 123.65 14.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.206 -177.642 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 61.09 28.64 18.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.227 179.048 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . 95.13 -15.89 62.44 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 175.026 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 90.2 mmm -102.33 152.02 21.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.814 0.34 . . . . 0.0 111.186 -174.22 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -100.54 119.13 38.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.133 178.244 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 86.6 t -115.72 129.5 71.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.207 -174.227 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 81.9 mt -93.79 140.27 29.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.227 173.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 76' ' ' GLU . . . . . 0.426 ' O ' ' HA ' ' B' ' 64' ' ' ILE . 68.8 tt0 -127.0 118.19 23.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.224 178.496 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.454 ' HB3' ' HB3' ' A' ' 77' ' ' LEU . 53.0 tp -114.65 124.86 52.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.16 -178.831 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -125.72 143.47 51.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.239 -176.657 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 20.2 tt -142.26 136.42 28.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.147 174.576 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 97.4 m -97.32 116.85 30.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.206 178.523 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 78.1 mt . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.204 -178.394 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.8 0.333 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -99.81 18.24 18.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.255 176.272 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.571 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 54.2 tp -71.22 -42.03 11.27 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.221 175.528 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.571 ' CD ' ' N ' ' A' ' 40' ' ' LEU . 85.0 Cg_exo -52.78 -35.24 68.63 Favored 'Trans proline' 0 N--CA 1.459 -0.548 0 C-N-CA 121.691 1.594 . . . . 0.0 111.18 177.041 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 60.4 p -75.63 -33.91 60.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.225 -177.193 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 89.5 mt -64.61 -40.32 95.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.212 169.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 77.7 mtp180 -64.93 -40.19 94.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.2 178.441 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -65.69 -40.53 92.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.243 175.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . . . -61.72 -37.5 84.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.16 177.215 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 77.6 mt -64.75 -44.66 89.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.178 176.221 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 98.9 mtp -58.65 -39.85 81.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.196 176.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -56.28 -56.44 21.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.143 178.563 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 28.6 m -70.29 -25.76 27.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.179 -172.016 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.2 mp -69.86 -39.91 76.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.2 173.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 82.7 p -65.66 -29.96 70.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.175 178.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -79.12 -35.88 41.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.176 -173.121 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -80.26 -39.93 27.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.163 -175.534 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.531 ' O ' HG12 ' A' ' 55' ' ' VAL . 66.0 t -96.78 -4.85 9.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.199 -176.389 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 64.04 34.23 11.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.187 175.283 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.47 HG13 HG12 ' A' ' 55' ' ' VAL . 29.2 m -105.08 175.24 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.209 173.437 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 79.0 p -98.82 168.22 10.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.169 176.291 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 95.3 mt -64.13 -27.24 68.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.23 -179.304 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -69.97 -17.31 63.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.159 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 63.0 m-80 -99.79 9.23 43.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.172 -179.533 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 85.4 mt -119.84 136.05 58.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.24 -178.318 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 90.1 mmt-85 -123.1 148.32 45.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.169 174.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 19.4 tt -152.88 130.3 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.199 -178.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.2 t -159.87 145.11 15.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.264 -178.41 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -106.14 140.34 39.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.228 178.666 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -136.23 141.23 43.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.205 -176.101 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -97.63 121.11 39.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.226 179.468 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 69.5 tp60 -138.86 125.49 20.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.198 -178.443 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 61.23 27.53 17.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.184 -179.423 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 92.68 -15.76 61.78 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 176.62 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 95.3 mtp -101.72 148.28 25.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.773 0.32 . . . . 0.0 111.196 -173.698 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -100.43 127.8 46.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.228 -179.516 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 96.3 t -123.6 124.48 69.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.203 177.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 55.1 tp -92.34 128.48 38.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.224 174.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 58.7 tt0 -118.42 132.2 56.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.176 -174.442 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.42 ' HB2' ' HB2' ' B' ' 77' ' ' LEU . 4.4 mp -121.92 141.86 50.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.221 175.592 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -133.05 135.03 45.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.241 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 88.2 mt -118.0 117.22 54.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.181 172.013 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 97.4 m -92.8 118.44 31.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.251 -176.071 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 81.7 mt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.225 176.49 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.8 0.333 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -99.81 18.24 18.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.255 176.272 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.576 ' N ' ' CD ' ' B' ' 41' ' ' PRO . 54.2 tp -71.22 -42.03 11.27 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.221 175.528 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 41' ' ' PRO . . . . . 0.576 ' CD ' ' N ' ' B' ' 40' ' ' LEU . 85.0 Cg_exo -52.78 -35.24 68.63 Favored 'Trans proline' 0 N--CA 1.459 -0.548 0 C-N-CA 121.691 1.594 . . . . 0.0 111.18 177.041 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 60.4 p -75.63 -33.91 60.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.225 -177.193 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 89.5 mt -64.61 -40.32 95.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.212 169.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 77.7 mtp180 -64.93 -40.19 94.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.2 178.441 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -65.69 -40.53 92.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.243 175.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -61.72 -37.5 84.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.16 177.215 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 77.6 mt -64.75 -44.66 89.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.178 176.221 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 98.9 mtp -58.65 -39.85 81.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.196 176.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -56.28 -56.44 21.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.143 178.563 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 28.6 m -70.29 -25.76 27.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.179 -172.016 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 6.2 mp -69.86 -39.91 76.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.2 173.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 82.7 p -65.66 -29.96 70.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.175 178.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -79.12 -35.88 41.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.176 -173.121 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -80.26 -39.93 27.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.163 -175.534 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 55' ' ' VAL . . . . . 0.526 ' O ' HG12 ' B' ' 55' ' ' VAL . 66.0 t -96.78 -4.85 9.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.199 -176.389 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 64.04 34.23 11.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.187 175.283 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.471 HG13 HG12 ' B' ' 55' ' ' VAL . 29.2 m -105.08 175.24 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.209 173.437 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 79.0 p -98.82 168.22 10.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.169 176.291 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 95.3 mt -64.13 -27.24 68.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.23 -179.304 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -69.97 -17.31 63.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.159 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 63.0 m-80 -99.79 9.23 43.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.172 -179.533 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 85.4 mt -119.84 136.05 58.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.24 -178.318 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 90.1 mmt-85 -123.1 148.32 45.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.169 174.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 19.4 tt -152.88 130.3 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.199 -178.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 48.2 t -159.87 145.11 15.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.264 -178.41 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -106.14 140.34 39.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.228 178.666 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -136.23 141.23 43.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.205 -176.101 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -97.63 121.11 39.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.226 179.468 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 69.5 tp60 -138.86 125.49 20.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.198 -178.443 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 61.23 27.53 17.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.184 -179.423 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . 92.68 -15.76 61.78 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 176.62 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 95.3 mtp -101.72 148.28 25.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.773 0.32 . . . . 0.0 111.196 -173.698 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -100.43 127.8 46.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.228 -179.516 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 96.3 t -123.6 124.48 69.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.203 177.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 55.1 tp -92.34 128.48 38.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.224 174.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 58.7 tt0 -118.42 132.2 56.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.176 -174.442 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.42 ' HB2' ' HB2' ' A' ' 77' ' ' LEU . 4.4 mp -121.92 141.86 50.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.221 175.592 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -133.05 135.03 45.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.241 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 88.2 mt -118.0 117.22 54.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.181 172.013 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 97.4 m -92.8 118.44 31.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.251 -176.071 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 81.7 mt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.225 176.49 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.796 0.331 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -89.67 -43.37 10.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.228 -177.458 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.606 ' HB3' ' HD3' ' A' ' 41' ' ' PRO . 60.8 tp -57.41 -45.63 99.87 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.225 -176.056 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.606 ' HD3' ' HB3' ' A' ' 40' ' ' LEU . 70.0 Cg_exo -48.3 -39.42 35.14 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 121.669 1.58 . . . . 0.0 111.205 177.146 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 97.3 m -70.62 -41.33 72.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.218 176.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 87.5 mt -59.25 -33.63 71.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.192 177.399 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -65.01 -47.63 76.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.195 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.02 -37.68 88.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.199 175.416 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . . . -59.5 -40.74 88.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.147 175.134 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 79.0 mt -67.53 -36.3 80.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.222 178.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 68.0 mtt -56.97 -48.63 77.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.169 173.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 61.9 tt0 -54.04 -47.97 71.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.192 174.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 52.8 t -59.81 -41.89 87.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.194 -176.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 85.7 mt -73.56 -36.96 65.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.21 -176.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 82.6 p -67.07 -22.16 65.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.219 178.004 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -92.29 -31.38 15.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.19 177.499 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 7.3 m-30 -77.58 -60.36 2.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.164 -178.34 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.61 ' O ' HG12 ' A' ' 55' ' ' VAL . 84.4 t -95.94 0.17 10.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.215 -173.604 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 47.1 t30 64.05 28.9 14.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.173 175.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 32.9 m -90.69 168.65 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.17 174.16 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 77.9 p -102.48 174.01 6.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.194 176.445 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 96.4 mt -60.86 -33.54 73.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.103 -179.335 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -67.88 -17.1 64.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.164 -179.391 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 64.1 m-80 -103.53 10.77 36.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.194 -177.603 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 84.0 mt -121.18 126.46 75.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.225 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 89.8 mmt-85 -123.2 126.19 46.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.158 175.735 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 71.3 mt -124.47 128.21 73.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.215 178.605 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 17.5 t -139.55 -167.05 2.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.207 -176.275 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -167.43 136.78 2.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.246 -176.54 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.2 pt-20 -142.36 156.7 45.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.195 178.276 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -93.32 115.27 27.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.23 -179.46 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -109.56 105.5 14.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.166 176.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 62.02 -131.82 0.61 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.235 -169.148 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -92.65 10.07 74.67 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -179.582 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 56.1 mtt -118.72 157.59 27.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.877 0.37 . . . . 0.0 111.154 178.198 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -109.22 142.19 40.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.198 174.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 90.6 t -123.96 122.54 64.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.176 -178.021 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.43 ' HB2' ' HB ' ' B' ' 79' ' ' ILE . 84.8 mt -77.66 147.61 35.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.229 170.071 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 58.8 tt0 -133.69 129.22 36.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.215 -179.534 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.425 ' HB2' ' HB2' ' B' ' 77' ' ' LEU . 5.2 mp -121.32 137.18 54.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.207 174.671 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -126.05 129.49 49.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.21 177.19 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.41 ' HB ' ' HB2' ' B' ' 75' ' ' LEU . 5.0 mp -121.26 115.56 47.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.171 -179.454 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 98.5 m -90.17 119.82 30.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.208 -175.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 59.4 tp . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.256 173.545 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.796 0.331 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -89.67 -43.37 10.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.228 -177.458 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.611 ' HB3' ' HD3' ' B' ' 41' ' ' PRO . 60.8 tp -57.41 -45.63 99.87 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.225 -176.056 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 41' ' ' PRO . . . . . 0.611 ' HD3' ' HB3' ' B' ' 40' ' ' LEU . 70.0 Cg_exo -48.3 -39.42 35.14 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 121.669 1.58 . . . . 0.0 111.205 177.146 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 97.3 m -70.62 -41.33 72.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.218 176.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 87.5 mt -59.25 -33.63 71.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.192 177.399 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -65.01 -47.63 76.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.195 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.02 -37.68 88.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.199 175.416 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -59.5 -40.74 88.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.147 175.134 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 79.0 mt -67.53 -36.3 80.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.222 178.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 68.0 mtt -56.97 -48.63 77.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.169 173.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 61.9 tt0 -54.04 -47.97 71.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.192 174.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 52.8 t -59.81 -41.89 87.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.194 -176.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 85.7 mt -73.56 -36.96 65.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.21 -176.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 82.6 p -67.07 -22.16 65.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.219 178.004 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -92.29 -31.38 15.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.19 177.499 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 7.3 m-30 -77.58 -60.36 2.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.164 -178.34 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 55' ' ' VAL . . . . . 0.598 ' O ' HG12 ' B' ' 55' ' ' VAL . 84.4 t -95.94 0.17 10.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.215 -173.604 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 47.1 t30 64.05 28.9 14.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.173 175.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 32.9 m -90.69 168.65 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.17 174.16 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 77.9 p -102.48 174.01 6.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.194 176.445 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 96.4 mt -60.86 -33.54 73.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.103 -179.335 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -67.88 -17.1 64.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.164 -179.391 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 64.1 m-80 -103.53 10.77 36.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.194 -177.603 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 84.0 mt -121.18 126.46 75.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.225 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 89.8 mmt-85 -123.2 126.19 46.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.158 175.735 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 71.3 mt -124.47 128.21 73.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.215 178.605 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 17.5 t -139.55 -167.05 2.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.207 -176.275 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -167.43 136.78 2.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.246 -176.54 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 27.2 pt-20 -142.36 156.7 45.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.195 178.276 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -93.32 115.27 27.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.23 -179.46 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -109.56 105.5 14.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.166 176.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 62.02 -131.82 0.61 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.235 -169.148 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -92.65 10.07 74.67 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -179.582 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 56.1 mtt -118.72 157.59 27.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.877 0.37 . . . . 0.0 111.154 178.198 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -109.22 142.19 40.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.198 174.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 90.6 t -123.96 122.54 64.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.176 -178.021 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.41 ' HB2' ' HB ' ' A' ' 79' ' ' ILE . 84.8 mt -77.66 147.61 35.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.229 170.071 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 58.8 tt0 -133.69 129.22 36.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.215 -179.534 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.425 ' HB2' ' HB2' ' A' ' 77' ' ' LEU . 5.2 mp -121.32 137.18 54.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.207 174.671 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -126.05 129.49 49.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.21 177.19 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 79' ' ' ILE . . . . . 0.43 ' HB ' ' HB2' ' A' ' 75' ' ' LEU . 5.0 mp -121.26 115.56 47.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.171 -179.454 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 98.5 m -90.17 119.82 30.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.208 -175.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 59.4 tp . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.256 173.545 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.821 0.343 . . . . 0.0 111.234 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -82.17 -32.61 29.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.163 -178.173 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.56 ' HB3' ' HD3' ' A' ' 41' ' ' PRO . 56.7 tp -63.44 -44.27 81.48 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.235 -167.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.56 ' HD3' ' HB3' ' A' ' 40' ' ' LEU . 79.1 Cg_exo -50.05 -40.43 50.21 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 121.775 1.65 . . . . 0.0 111.201 178.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 98.8 m -69.97 -43.11 72.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.208 177.331 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 94.2 mt -59.15 -37.74 78.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.215 177.329 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 77.1 mtp180 -64.96 -45.83 84.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.215 -179.652 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.89 -42.0 97.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.293 176.405 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . . . -57.94 -47.53 82.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.203 177.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 89.3 mt -64.29 -36.69 84.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.263 -179.285 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 58.1 ttm -59.69 -46.82 87.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.175 176.165 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -56.27 -48.37 76.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.204 173.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 50.7 t -57.45 -41.66 79.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.21 -178.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 81.4 mt -64.24 -46.37 84.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.161 179.6 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 87.3 p -63.76 -26.19 68.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.231 -174.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -98.42 -41.62 7.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.201 -174.543 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 7.2 m-30 -81.38 -58.33 3.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.222 -178.432 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.428 ' O ' ' HB2' ' A' ' 56' ' ' ASN . 74.2 t -67.39 -20.09 26.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.164 -174.724 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.428 ' HB2' ' O ' ' A' ' 55' ' ' VAL . 74.8 m-80 66.21 82.87 0.18 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.221 -172.687 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.2 p -163.37 152.96 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.252 -169.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.2 t -85.9 149.95 24.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.187 -178.19 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 96.1 mt -58.94 -33.86 71.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.267 179.516 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -62.54 -23.03 66.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.206 179.038 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -98.6 10.82 40.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.237 -176.298 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 90.9 mt -113.37 127.59 70.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.202 179.14 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 90.4 mmt-85 -123.76 120.73 33.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.192 173.065 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 77.9 mt -122.48 123.47 68.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.236 177.057 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 17.3 t -139.84 -166.93 2.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.206 -173.454 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -156.8 134.3 10.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.23 -175.761 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.8 pt-20 -129.85 160.24 34.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.199 177.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -91.09 126.04 36.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.152 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.436 ' O ' ' HB2' ' A' ' 70' ' ' ASP . 65.6 tp60 -128.25 109.47 11.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.241 173.74 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.436 ' HB2' ' O ' ' A' ' 69' ' ' GLN . 43.9 m-20 69.19 -126.75 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.178 -176.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -100.98 18.97 53.96 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 178.462 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 21.6 ptp -141.94 173.17 11.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.822 0.344 . . . . 0.0 111.212 178.313 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -110.21 160.43 16.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.174 178.183 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 90.6 t -125.51 132.74 70.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.158 179.634 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 57.1 tp -88.6 128.34 35.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.149 178.619 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 71.2 tt0 -123.98 126.21 45.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.19 -172.09 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.425 ' HB2' ' HB2' ' B' ' 77' ' ' LEU . 5.3 mp -120.91 129.45 53.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.184 177.048 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 75.5 m-80 -124.44 119.38 29.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.178 179.21 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.2 mp -117.7 116.94 53.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.225 -177.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 94.3 m -78.55 121.09 24.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.156 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 71.4 mt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.159 -176.453 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.821 0.343 . . . . 0.0 111.234 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -82.17 -32.61 29.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.163 -178.173 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.584 ' HB3' ' HD3' ' B' ' 41' ' ' PRO . 56.7 tp -63.44 -44.27 81.48 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.235 -167.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 41' ' ' PRO . . . . . 0.584 ' HD3' ' HB3' ' B' ' 40' ' ' LEU . 79.1 Cg_exo -50.05 -40.43 50.21 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 121.775 1.65 . . . . 0.0 111.201 178.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 98.8 m -69.97 -43.11 72.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.208 177.331 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 94.2 mt -59.15 -37.74 78.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.215 177.329 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 77.1 mtp180 -64.96 -45.83 84.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.215 -179.652 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.89 -42.0 97.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.293 176.405 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -57.94 -47.53 82.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.203 177.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 89.3 mt -64.29 -36.69 84.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.263 -179.285 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 58.1 ttm -59.69 -46.82 87.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.175 176.165 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -56.27 -48.37 76.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.204 173.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 50.7 t -57.45 -41.66 79.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.21 -178.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 81.4 mt -64.24 -46.37 84.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.161 179.6 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 87.3 p -63.76 -26.19 68.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.231 -174.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -98.42 -41.62 7.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.201 -174.543 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 7.2 m-30 -81.38 -58.33 3.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.222 -178.432 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 55' ' ' VAL . . . . . 0.425 ' O ' ' HB2' ' B' ' 56' ' ' ASN . 74.2 t -67.39 -20.09 26.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.164 -174.724 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 56' ' ' ASN . . . . . 0.425 ' HB2' ' O ' ' B' ' 55' ' ' VAL . 74.8 m-80 66.21 82.87 0.18 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.221 -172.687 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 12.2 p -163.37 152.96 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.252 -169.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 29.2 t -85.9 149.95 24.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.187 -178.19 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 96.1 mt -58.94 -33.86 71.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.267 179.516 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -62.54 -23.03 66.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.206 179.038 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -98.6 10.82 40.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.237 -176.298 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 90.9 mt -113.37 127.59 70.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.202 179.14 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 90.4 mmt-85 -123.76 120.73 33.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.192 173.065 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 77.9 mt -122.48 123.47 68.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.236 177.057 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 17.3 t -139.84 -166.93 2.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.206 -173.454 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -156.8 134.3 10.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.23 -175.761 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 24.8 pt-20 -129.85 160.24 34.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.199 177.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -91.09 126.04 36.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.152 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 69' ' ' GLN . . . . . 0.44 ' O ' ' HB2' ' B' ' 70' ' ' ASP . 65.6 tp60 -128.25 109.47 11.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.241 173.74 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.44 ' HB2' ' O ' ' B' ' 69' ' ' GLN . 43.9 m-20 69.19 -126.75 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.178 -176.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -100.98 18.97 53.96 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 178.462 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 21.6 ptp -141.94 173.17 11.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.822 0.344 . . . . 0.0 111.212 178.313 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -110.21 160.43 16.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.174 178.183 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 90.6 t -125.51 132.74 70.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.158 179.634 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 57.1 tp -88.6 128.34 35.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.149 178.619 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 71.2 tt0 -123.98 126.21 45.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.19 -172.09 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.425 ' HB2' ' HB2' ' A' ' 77' ' ' LEU . 5.3 mp -120.91 129.45 53.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.184 177.048 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 75.5 m-80 -124.44 119.38 29.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.178 179.21 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 5.2 mp -117.7 116.94 53.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.225 -177.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 94.3 m -78.55 121.09 24.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.156 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 71.4 mt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.159 -176.453 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.74 0.305 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -73.28 -50.15 23.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.213 -179.351 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.59 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 86.7 mt -63.47 -40.08 55.14 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.184 -161.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.59 ' CD ' ' N ' ' A' ' 40' ' ' LEU . 75.5 Cg_exo -51.05 -33.5 43.28 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 121.73 1.62 . . . . 0.0 111.19 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 71.7 p -91.29 -30.07 16.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.232 -179.286 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 66.9 tp -54.52 -41.36 69.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.16 170.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 75.5 mtp180 -58.05 -49.97 75.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.224 -176.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.58 -40.12 95.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.178 179.116 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . . . -58.34 -47.58 83.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.217 177.168 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 94.1 mt -60.8 -35.99 77.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.237 179.489 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 98.8 mtp -61.97 -48.15 81.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.214 175.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -55.54 -45.9 77.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.188 175.413 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 55.9 t -53.6 -49.28 56.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.173 179.108 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 92.6 mt -63.2 -36.75 84.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.214 -176.186 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 60.1 p -65.52 -15.89 63.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.194 -176.501 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -94.35 -37.65 11.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.216 177.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -75.9 -59.85 2.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.221 -177.419 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.5 m -103.36 8.29 9.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.207 -171.2 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 54.75 23.21 4.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.194 172.031 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 74.7 t -85.56 148.77 4.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.161 170.384 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 28.8 t -94.27 153.11 18.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.186 -166.383 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 95.7 mt -57.6 -28.34 63.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.222 -179.258 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -73.87 -25.93 60.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.248 175.656 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -103.16 7.92 38.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.174 -176.169 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 96.7 mt -104.84 136.24 39.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.201 174.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 89.9 mmt-85 -121.42 143.82 49.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.208 173.529 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 19.6 tt -152.88 128.78 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.242 -178.291 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.0 t -141.52 129.27 21.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.226 -175.577 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -84.26 119.15 24.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.194 177.448 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -115.92 179.82 3.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.214 -178.421 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -127.9 133.83 49.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.219 178.542 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 69.8 tp60 -140.63 121.21 14.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.192 171.156 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 60.14 -134.0 0.79 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.218 -171.749 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -98.05 16.91 59.49 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.141 -0.783 . . . . 0.0 111.141 -178.625 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 72.9 mtm -128.51 161.93 28.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.758 0.314 . . . . 0.0 111.234 175.175 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -92.84 146.65 23.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.261 174.676 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 74.7 t -118.63 107.45 21.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.214 175.246 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 62.1 tp -87.26 121.26 29.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.267 179.508 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -106.75 129.01 54.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.188 -172.603 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.5 mp -119.81 131.77 55.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.184 177.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -117.43 120.81 39.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.212 -178.152 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 83.0 mt -107.58 127.36 63.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.154 -176.676 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 97.1 m -78.42 112.3 15.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.208 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 62.1 mt . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.206 -178.269 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.74 0.305 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -73.28 -50.15 23.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.213 -179.351 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.59 ' N ' ' CD ' ' B' ' 41' ' ' PRO . 86.7 mt -63.47 -40.08 55.14 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.184 -161.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 41' ' ' PRO . . . . . 0.59 ' CD ' ' N ' ' B' ' 40' ' ' LEU . 75.5 Cg_exo -51.05 -33.5 43.28 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 121.73 1.62 . . . . 0.0 111.19 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 71.7 p -91.29 -30.07 16.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.232 -179.286 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 66.9 tp -54.52 -41.36 69.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.16 170.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 75.5 mtp180 -58.05 -49.97 75.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.224 -176.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.58 -40.12 95.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.178 179.116 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -58.34 -47.58 83.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.217 177.168 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 94.1 mt -60.8 -35.99 77.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.237 179.489 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 98.8 mtp -61.97 -48.15 81.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.214 175.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -55.54 -45.9 77.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.188 175.413 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 55.9 t -53.6 -49.28 56.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.173 179.108 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 92.6 mt -63.2 -36.75 84.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.214 -176.186 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 60.1 p -65.52 -15.89 63.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.194 -176.501 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -94.35 -37.65 11.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.216 177.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -75.9 -59.85 2.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.221 -177.419 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 34.5 m -103.36 8.29 9.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.207 -171.2 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 54.75 23.21 4.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.194 172.031 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 74.7 t -85.56 148.77 4.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.161 170.384 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 28.8 t -94.27 153.11 18.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.186 -166.383 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 95.7 mt -57.6 -28.34 63.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.222 -179.258 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -73.87 -25.93 60.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.248 175.656 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -103.16 7.92 38.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.174 -176.169 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 96.7 mt -104.84 136.24 39.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.201 174.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 89.9 mmt-85 -121.42 143.82 49.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.208 173.529 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 19.6 tt -152.88 128.78 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.242 -178.291 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 48.0 t -141.52 129.27 21.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.226 -175.577 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -84.26 119.15 24.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.194 177.448 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -115.92 179.82 3.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.214 -178.421 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -127.9 133.83 49.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.219 178.542 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 69.8 tp60 -140.63 121.21 14.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.192 171.156 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 60.14 -134.0 0.79 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.218 -171.749 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -98.05 16.91 59.49 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.141 -0.783 . . . . 0.0 111.141 -178.625 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 72.9 mtm -128.51 161.93 28.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.758 0.314 . . . . 0.0 111.234 175.175 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -92.84 146.65 23.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.261 174.676 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 74.7 t -118.63 107.45 21.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.214 175.246 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 62.1 tp -87.26 121.26 29.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.267 179.508 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -106.75 129.01 54.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.188 -172.603 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 5.5 mp -119.81 131.77 55.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.184 177.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -117.43 120.81 39.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.212 -178.152 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 83.0 mt -107.58 127.36 63.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.154 -176.676 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 97.1 m -78.42 112.3 15.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.208 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 62.1 mt . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.206 -178.269 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.743 0.306 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -114.52 139.39 49.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.159 177.365 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.578 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 96.9 mt -74.69 -40.67 4.17 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.192 -174.076 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.578 ' CD ' ' N ' ' A' ' 40' ' ' LEU . 87.0 Cg_exo -50.56 -41.08 54.17 Favored 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 121.73 1.62 . . . . 0.0 111.174 177.588 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 99.1 m -69.19 -46.11 68.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.228 177.388 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.7 tp -50.52 -47.53 57.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.245 173.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -61.32 -45.84 92.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.259 -175.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -61.25 -42.51 98.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.177 178.279 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . . . -59.45 -42.29 91.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.166 177.676 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 92.9 mt -66.44 -39.25 88.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.192 -179.413 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 65.0 ttp -58.96 -48.96 79.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.208 175.302 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -51.91 -48.92 63.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.254 176.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.401 HG11 HG11 ' B' ' 50' ' ' VAL . 47.6 t -56.89 -44.67 82.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.257 -177.054 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 96.8 mt -73.14 -36.97 66.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.217 -174.304 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 40.5 t -61.06 -38.12 85.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.172 176.178 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -86.95 -30.77 21.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.173 -174.032 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 5.5 m-30 -76.39 -59.2 2.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.219 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.6 ' O ' HG12 ' A' ' 55' ' ' VAL . 59.0 t -88.56 0.69 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 -172.027 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 22.4 t30 66.85 21.62 10.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.231 176.356 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.408 HG13 HG12 ' A' ' 55' ' ' VAL . 35.3 m -94.77 174.36 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.204 175.251 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 51.5 p -108.47 -179.97 4.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.216 173.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.7 pp -63.99 -21.71 66.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.191 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -68.44 -23.96 64.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.225 -179.594 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -103.48 11.12 36.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.168 -177.177 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 88.0 mt -119.46 120.62 64.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.182 -177.496 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.443 ' HB3' ' HB2' ' A' ' 78' ' ' ASN . 46.4 ttp180 -111.45 135.33 52.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.219 175.325 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 79.7 mt -121.62 119.5 59.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.214 178.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 40.6 t -129.06 145.74 51.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.195 -175.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -134.61 126.98 30.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.204 176.229 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -132.5 137.44 47.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.212 -175.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -87.87 125.73 34.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.263 176.146 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -144.67 123.81 12.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.19 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 56.3 39.74 30.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.208 173.604 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 91.58 -9.02 78.08 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 168.426 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 91.5 mtp -122.97 163.1 21.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.742 0.305 . . . . 0.0 111.231 -177.191 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -103.4 141.31 36.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.171 177.242 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 95.0 t -118.67 119.63 61.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.174 175.018 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.414 ' HB2' ' HB ' ' B' ' 79' ' ' ILE . 81.4 mt -86.08 142.2 28.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.215 172.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -130.61 126.54 36.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.196 179.045 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 51.4 mt -114.6 126.08 54.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.222 173.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.443 ' HB2' ' HB3' ' A' ' 63' ' ' ARG . 33.9 m120 -117.93 126.77 52.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.203 -177.242 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.427 ' HB ' ' HB2' ' B' ' 75' ' ' LEU . 5.1 mp -118.03 118.1 57.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.204 -177.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 97.7 m -92.22 117.13 29.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.19 -179.605 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.1 pt? . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.161 175.849 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.743 0.306 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -114.52 139.39 49.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.159 177.365 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.581 ' N ' ' CD ' ' B' ' 41' ' ' PRO . 96.9 mt -74.69 -40.67 4.17 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.192 -174.076 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 41' ' ' PRO . . . . . 0.581 ' CD ' ' N ' ' B' ' 40' ' ' LEU . 87.0 Cg_exo -50.56 -41.08 54.17 Favored 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 121.73 1.62 . . . . 0.0 111.174 177.588 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 99.1 m -69.19 -46.11 68.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.228 177.388 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 58.7 tp -50.52 -47.53 57.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.245 173.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -61.32 -45.84 92.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.259 -175.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -61.25 -42.51 98.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.177 178.279 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -59.45 -42.29 91.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.166 177.676 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 92.9 mt -66.44 -39.25 88.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.192 -179.413 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 65.0 ttp -58.96 -48.96 79.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.208 175.302 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -51.91 -48.92 63.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.254 176.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' VAL . . . . . 0.401 HG11 HG11 ' A' ' 50' ' ' VAL . 47.6 t -56.89 -44.67 82.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.257 -177.054 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 96.8 mt -73.14 -36.97 66.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.217 -174.304 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 40.5 t -61.06 -38.12 85.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.172 176.178 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -86.95 -30.77 21.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.173 -174.032 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 5.5 m-30 -76.39 -59.2 2.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.219 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 55' ' ' VAL . . . . . 0.579 ' O ' HG12 ' B' ' 55' ' ' VAL . 59.0 t -88.56 0.69 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 -172.027 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 22.4 t30 66.85 21.62 10.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.231 176.356 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.428 HG13 HG12 ' B' ' 55' ' ' VAL . 35.3 m -94.77 174.36 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.204 175.251 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 51.5 p -108.47 -179.97 4.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.216 173.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 3.7 pp -63.99 -21.71 66.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.191 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -68.44 -23.96 64.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.225 -179.594 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -103.48 11.12 36.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.168 -177.177 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 88.0 mt -119.46 120.62 64.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.182 -177.496 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 63' ' ' ARG . . . . . 0.449 ' HB3' ' HB2' ' B' ' 78' ' ' ASN . 46.4 ttp180 -111.45 135.33 52.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.219 175.325 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 79.7 mt -121.62 119.5 59.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.214 178.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 40.6 t -129.06 145.74 51.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.195 -175.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -134.61 126.98 30.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.204 176.229 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -132.5 137.44 47.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.212 -175.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -87.87 125.73 34.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.263 176.146 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -144.67 123.81 12.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.19 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 56.3 39.74 30.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.208 173.604 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . 91.58 -9.02 78.08 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 168.426 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 91.5 mtp -122.97 163.1 21.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.742 0.305 . . . . 0.0 111.231 -177.191 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -103.4 141.31 36.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.171 177.242 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 95.0 t -118.67 119.63 61.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.174 175.018 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 75' ' ' LEU . . . . . 0.427 ' HB2' ' HB ' ' A' ' 79' ' ' ILE . 81.4 mt -86.08 142.2 28.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.215 172.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -130.61 126.54 36.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.196 179.045 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 51.4 mt -114.6 126.08 54.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.222 173.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 78' ' ' ASN . . . . . 0.449 ' HB2' ' HB3' ' B' ' 63' ' ' ARG . 33.9 m120 -117.93 126.77 52.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.203 -177.242 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 79' ' ' ILE . . . . . 0.414 ' HB ' ' HB2' ' A' ' 75' ' ' LEU . 5.1 mp -118.03 118.1 57.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.204 -177.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 97.7 m -92.22 117.13 29.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.19 -179.605 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 2.1 pt? . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.161 175.849 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.805 0.336 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -108.75 17.48 21.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.214 176.437 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.556 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 52.3 tp -66.65 -42.34 44.84 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.233 174.542 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.556 ' CD ' ' N ' ' A' ' 40' ' ' LEU . 86.9 Cg_exo -51.21 -41.95 55.9 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 121.699 1.599 . . . . 0.0 111.225 175.735 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 96.0 m -54.27 -49.51 69.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.189 174.725 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 92.0 mt -61.1 -39.75 91.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.227 178.361 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -58.88 -45.64 89.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.187 175.308 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -69.98 -31.68 69.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.216 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . . . -61.05 -42.87 99.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.215 174.5 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 89.8 mt -63.16 -37.88 88.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.189 175.485 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 87.5 mtp -61.47 -45.92 92.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.163 176.444 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -53.79 -44.98 70.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.157 173.392 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 52.8 t -59.09 -42.03 85.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.219 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 89.2 mt -65.79 -35.76 81.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.185 -177.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 65.4 p -66.96 -15.04 63.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.182 179.026 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 99.9 mttt -101.0 -34.97 9.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.204 177.53 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 10.9 m-30 -77.45 -64.99 1.02 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.203 179.114 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.4 m -107.43 3.94 9.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.275 -170.732 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 61.99 22.66 13.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.225 171.622 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 53.5 t -84.6 145.44 8.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.169 174.085 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 31.0 t -94.82 160.58 14.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.235 -167.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 94.6 mt -56.42 -40.3 74.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.22 -177.154 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -68.61 -18.14 64.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.199 -178.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -101.76 13.08 35.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.219 -175.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 77.5 mt -120.01 131.68 71.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.158 178.392 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 89.8 mmt-85 -119.79 129.4 54.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 175.42 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 78.5 mt -127.57 129.78 70.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.201 179.726 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 47.1 t -149.77 142.25 24.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.223 -179.267 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -105.38 135.37 46.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.226 -175.27 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -124.58 -175.42 3.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.216 177.558 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -128.91 132.41 47.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.186 179.21 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 67.9 tp60 -133.17 117.3 17.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.209 175.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 64.7 -128.94 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.207 -172.009 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -103.81 20.65 40.74 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 176.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 88.3 mtp -128.17 159.54 34.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.805 0.336 . . . . 0.0 111.202 178.25 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -98.44 144.69 27.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.188 178.563 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 72.4 t -124.48 112.04 30.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.232 176.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 59.6 tp -87.87 128.44 35.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.193 177.247 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -113.49 133.64 55.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.223 -173.454 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.7 mp -120.77 131.48 54.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.179 175.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -116.81 120.16 37.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.183 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 64.4 mt -109.61 107.78 23.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.183 -173.441 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 97.7 m -89.24 124.49 34.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.201 -175.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.0 pp . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.193 176.166 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.805 0.336 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -108.75 17.48 21.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.214 176.437 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.559 ' N ' ' CD ' ' B' ' 41' ' ' PRO . 52.3 tp -66.65 -42.34 44.84 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.233 174.542 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 41' ' ' PRO . . . . . 0.559 ' CD ' ' N ' ' B' ' 40' ' ' LEU . 86.9 Cg_exo -51.21 -41.95 55.9 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 121.699 1.599 . . . . 0.0 111.225 175.735 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 96.0 m -54.27 -49.51 69.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.189 174.725 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 92.0 mt -61.1 -39.75 91.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.227 178.361 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -58.88 -45.64 89.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.187 175.308 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -69.98 -31.68 69.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.216 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -61.05 -42.87 99.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.215 174.5 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 89.8 mt -63.16 -37.88 88.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.189 175.485 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 87.5 mtp -61.47 -45.92 92.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.163 176.444 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -53.79 -44.98 70.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.157 173.392 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 52.8 t -59.09 -42.03 85.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.219 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 89.2 mt -65.79 -35.76 81.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.185 -177.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 65.4 p -66.96 -15.04 63.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.182 179.026 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 99.9 mttt -101.0 -34.97 9.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.204 177.53 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 10.9 m-30 -77.45 -64.99 1.02 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.203 179.114 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 27.4 m -107.43 3.94 9.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.275 -170.732 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 61.99 22.66 13.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.225 171.622 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 53.5 t -84.6 145.44 8.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.169 174.085 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 31.0 t -94.82 160.58 14.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.235 -167.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 94.6 mt -56.42 -40.3 74.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.22 -177.154 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -68.61 -18.14 64.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.199 -178.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -101.76 13.08 35.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.219 -175.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 77.5 mt -120.01 131.68 71.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.158 178.392 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 89.8 mmt-85 -119.79 129.4 54.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 175.42 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 78.5 mt -127.57 129.78 70.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.201 179.726 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 47.1 t -149.77 142.25 24.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.223 -179.267 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -105.38 135.37 46.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.226 -175.27 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -124.58 -175.42 3.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.216 177.558 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -128.91 132.41 47.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.186 179.21 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 67.9 tp60 -133.17 117.3 17.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.209 175.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 64.7 -128.94 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.207 -172.009 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -103.81 20.65 40.74 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 176.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 88.3 mtp -128.17 159.54 34.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.805 0.336 . . . . 0.0 111.202 178.25 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -98.44 144.69 27.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.188 178.563 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 72.4 t -124.48 112.04 30.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.232 176.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 59.6 tp -87.87 128.44 35.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.193 177.247 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -113.49 133.64 55.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.223 -173.454 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 5.7 mp -120.77 131.48 54.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.179 175.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -116.81 120.16 37.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.183 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 64.4 mt -109.61 107.78 23.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.183 -173.441 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 97.7 m -89.24 124.49 34.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.201 -175.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 4.0 pp . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.193 176.166 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.788 0.328 . . . . 0.0 111.245 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 15.3 m-30 -74.72 -41.48 60.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.214 178.155 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.547 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 72.3 mt -60.65 -43.07 91.14 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.253 -165.827 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PRO . . . . . 0.547 ' CD ' ' N ' ' A' ' 40' ' ' LEU . 71.5 Cg_exo -50.4 -39.98 53.63 Favored 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 121.686 1.591 . . . . 0.0 111.172 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 67.5 p -80.52 -31.47 37.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.207 -176.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 94.3 mt -64.88 -34.98 79.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 171.275 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 77.5 mtp180 -65.13 -43.79 90.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.192 177.401 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -55.57 -48.59 74.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.169 171.414 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . . . -56.85 -41.04 77.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.218 178.23 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 77.1 mt -65.28 -37.13 86.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.218 -179.286 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 99.0 mtp -59.52 -46.28 89.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.224 173.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.26 -40.98 92.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.247 178.643 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 55.4 t -60.43 -43.66 94.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.178 177.142 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 78.7 mt -70.29 -36.03 74.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.203 -179.654 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 42.9 t -58.58 -38.23 77.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.224 176.593 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -80.32 -27.86 38.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.228 -177.376 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 10.3 m-30 -79.34 -58.75 3.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.215 -178.101 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.59 ' O ' HG12 ' A' ' 55' ' ' VAL . 77.9 t -88.24 -2.38 8.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.155 -171.124 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 22.9 m120 65.07 29.8 11.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.166 174.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.417 HG13 HG12 ' A' ' 55' ' ' VAL . 34.1 m -112.13 173.88 2.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.162 170.519 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 83.3 p -93.71 173.13 7.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.174 -176.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.12 -28.14 69.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.139 -179.369 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -70.28 -15.72 62.93 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.142 -178.26 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 58.1 m-80 -99.4 12.12 37.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.17 -178.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 74.3 mt -121.67 134.55 64.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.197 -177.727 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 90.5 mmt-85 -126.32 128.85 47.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.169 178.075 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 58.5 mt -129.0 131.52 68.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.183 174.457 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 45.3 t -115.03 129.54 56.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.196 -177.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -105.78 110.55 22.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.193 176.528 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 74.4 mt-10 -130.5 157.35 42.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.155 -172.043 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -100.88 114.77 28.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.162 179.659 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 69.3 tp60 -103.96 97.93 7.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.257 176.118 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 62.38 -126.29 0.69 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.191 -174.416 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -91.94 8.24 78.25 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -178.038 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 51.0 mtt -124.21 159.76 29.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.796 0.332 . . . . 0.0 111.191 177.554 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -106.15 138.88 41.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.185 174.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 91.0 t -125.44 131.23 72.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.197 -177.478 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 94.1 mt -97.11 135.05 39.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.202 174.489 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -120.1 130.06 54.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.217 174.714 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.521 ' HB2' ' HB2' ' B' ' 77' ' ' LEU . 5.5 mp -117.41 136.31 53.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.247 178.744 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 -130.07 132.84 46.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.205 176.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 19.0 tt -146.77 138.65 18.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.202 177.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 94.2 m -112.56 134.5 54.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.151 -171.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 65.4 tp . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.217 174.333 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.788 0.328 . . . . 0.0 111.245 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 15.3 m-30 -74.72 -41.48 60.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.214 178.155 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.538 ' N ' ' CD ' ' B' ' 41' ' ' PRO . 72.3 mt -60.65 -43.07 91.14 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.253 -165.827 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 41' ' ' PRO . . . . . 0.538 ' CD ' ' N ' ' B' ' 40' ' ' LEU . 71.5 Cg_exo -50.4 -39.98 53.63 Favored 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 121.686 1.591 . . . . 0.0 111.172 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 67.5 p -80.52 -31.47 37.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.207 -176.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 94.3 mt -64.88 -34.98 79.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 171.275 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 77.5 mtp180 -65.13 -43.79 90.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.192 177.401 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -55.57 -48.59 74.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.169 171.414 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -56.85 -41.04 77.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.218 178.23 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 77.1 mt -65.28 -37.13 86.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.218 -179.286 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 99.0 mtp -59.52 -46.28 89.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.224 173.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.26 -40.98 92.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.247 178.643 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 55.4 t -60.43 -43.66 94.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.178 177.142 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 78.7 mt -70.29 -36.03 74.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.203 -179.654 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 42.9 t -58.58 -38.23 77.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.224 176.593 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -80.32 -27.86 38.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.228 -177.376 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 10.3 m-30 -79.34 -58.75 3.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.215 -178.101 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 55' ' ' VAL . . . . . 0.594 ' O ' HG12 ' B' ' 55' ' ' VAL . 77.9 t -88.24 -2.38 8.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.155 -171.124 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 22.9 m120 65.07 29.8 11.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.166 174.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 57' ' ' VAL . . . . . 0.408 HG13 HG12 ' B' ' 55' ' ' VAL . 34.1 m -112.13 173.88 2.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.162 170.519 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 83.3 p -93.71 173.13 7.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.174 -176.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.12 -28.14 69.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.139 -179.369 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -70.28 -15.72 62.93 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.142 -178.26 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 58.1 m-80 -99.4 12.12 37.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.17 -178.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 74.3 mt -121.67 134.55 64.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.197 -177.727 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 90.5 mmt-85 -126.32 128.85 47.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.169 178.075 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 58.5 mt -129.0 131.52 68.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.183 174.457 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 45.3 t -115.03 129.54 56.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.196 -177.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -105.78 110.55 22.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.193 176.528 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 74.4 mt-10 -130.5 157.35 42.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.155 -172.043 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -100.88 114.77 28.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.162 179.659 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 69.3 tp60 -103.96 97.93 7.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.257 176.118 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 62.38 -126.29 0.69 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.191 -174.416 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -91.94 8.24 78.25 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -178.038 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 51.0 mtt -124.21 159.76 29.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.796 0.332 . . . . 0.0 111.191 177.554 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -106.15 138.88 41.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.185 174.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 91.0 t -125.44 131.23 72.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.197 -177.478 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 94.1 mt -97.11 135.05 39.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.202 174.489 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -120.1 130.06 54.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.217 174.714 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.521 ' HB2' ' HB2' ' A' ' 77' ' ' LEU . 5.5 mp -117.41 136.31 53.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.247 178.744 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 -130.07 132.84 46.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.205 176.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 19.0 tt -146.77 138.65 18.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.202 177.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 94.2 m -112.56 134.5 54.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.151 -171.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 65.4 tp . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.217 174.333 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.574 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 78.3 mt . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.852 0.358 . . . . 0.0 111.235 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.574 ' CD ' ' N ' ' A' ' 40' ' ' LEU . 93.2 Cg_exo -51.64 -38.66 66.12 Favored 'Trans proline' 0 N--CA 1.458 -0.573 0 C-N-CA 121.659 1.573 . . . . 0.0 111.158 177.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 70.3 p -77.67 -32.78 53.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.197 -176.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 92.2 mt -65.7 -35.97 82.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.223 172.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 70.0 mtp180 -66.36 -41.64 89.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.21 177.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -62.78 -39.91 95.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.174 174.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . . . -60.94 -38.72 86.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.209 176.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 80.4 mt -64.73 -36.21 83.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.186 178.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 95.4 mtp -61.4 -43.55 98.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.215 175.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -58.36 -48.26 81.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.166 175.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 54.1 t -59.41 -43.05 89.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.203 -178.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 51.8 mt -68.45 -41.96 79.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.172 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 42.8 t -56.52 -35.66 68.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.213 177.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -83.06 -31.45 27.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.218 -175.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 8.5 m-30 -74.51 -58.5 3.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.159 -175.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 31.5 m -108.22 13.58 8.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.251 -174.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 61.98 31.44 18.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.174 165.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 34.9 m -93.79 166.25 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.242 171.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 82.3 p -94.62 170.53 9.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.179 176.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 96.3 mt -62.04 -32.65 73.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.259 -179.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -69.01 -16.16 63.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.154 -178.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 62.7 m-80 -97.85 10.03 41.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.193 -177.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 75.3 mt -121.66 131.89 72.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.235 -179.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 90.5 mmt-85 -123.76 123.52 40.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.174 174.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 57.3 mt -128.95 128.16 67.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.182 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 47.6 t -157.34 149.61 22.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.139 -178.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -104.16 145.64 29.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.15 177.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -133.91 145.59 49.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.201 174.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -76.99 116.07 17.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 -178.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 69.4 tp60 -112.57 101.69 9.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.215 174.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 62.63 -128.0 0.62 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.177 -174.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -90.85 4.5 81.78 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.3 -0.72 . . . . 0.0 111.3 -179.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 76.7 mtm -125.02 171.76 9.98 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.855 0.359 . . . . 0.0 111.141 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -112.7 150.92 30.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.22 176.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 89.5 t -121.35 126.15 74.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.18 175.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.401 ' HB3' ' HB ' ' B' ' 79' ' ' ILE . 60.6 tp -89.61 126.69 35.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.218 174.02 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 48.7 tt0 -122.18 130.29 53.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.223 -174.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.458 ' HB2' ' HB2' ' B' ' 77' ' ' LEU . 5.5 mp -119.36 138.42 53.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.227 176.324 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -130.44 123.27 29.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.263 177.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.2 mp -122.0 123.97 70.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.23 -176.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 97.2 m -80.41 121.07 25.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.176 177.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 74.0 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.216 -178.784 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.841 0.353 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 44.2 p90 -95.89 -23.17 17.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.206 -178.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.583 ' N ' ' CD ' ' B' ' 41' ' ' PRO . 78.3 mt -69.67 -41.16 15.52 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.235 -173.342 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' PRO . . . . . 0.583 ' CD ' ' N ' ' B' ' 40' ' ' LEU . 93.2 Cg_exo -51.64 -38.66 66.12 Favored 'Trans proline' 0 N--CA 1.458 -0.573 0 C-N-CA 121.659 1.573 . . . . 0.0 111.158 177.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 70.3 p -77.67 -32.78 53.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.197 -176.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 92.2 mt -65.7 -35.97 82.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.223 172.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 70.0 mtp180 -66.36 -41.64 89.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.21 177.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -62.78 -39.91 95.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.174 174.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -60.94 -38.72 86.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.209 176.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 80.4 mt -64.73 -36.21 83.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.186 178.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 95.4 mtp -61.4 -43.55 98.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.215 175.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -58.36 -48.26 81.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.166 175.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 54.1 t -59.41 -43.05 89.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.203 -178.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 51.8 mt -68.45 -41.96 79.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.172 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 42.8 t -56.52 -35.66 68.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.213 177.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -83.06 -31.45 27.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.218 -175.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 8.5 m-30 -74.51 -58.5 3.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.159 -175.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 31.5 m -108.22 13.58 8.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.251 -174.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 61.98 31.44 18.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.174 165.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 34.9 m -93.79 166.25 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.242 171.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 82.3 p -94.62 170.53 9.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.179 176.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 96.3 mt -62.04 -32.65 73.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.259 -179.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -69.01 -16.16 63.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.154 -178.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 62.7 m-80 -97.85 10.03 41.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.193 -177.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 75.3 mt -121.66 131.89 72.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.235 -179.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 90.5 mmt-85 -123.76 123.52 40.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.174 174.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 57.3 mt -128.95 128.16 67.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.182 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 47.6 t -157.34 149.61 22.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.139 -178.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -104.16 145.64 29.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.15 177.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -133.91 145.59 49.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.201 174.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -76.99 116.07 17.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 -178.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 69.4 tp60 -112.57 101.69 9.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.215 174.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 62.63 -128.0 0.62 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.177 -174.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -90.85 4.5 81.78 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.3 -0.72 . . . . 0.0 111.3 -179.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 76.7 mtm -125.02 171.76 9.98 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.855 0.359 . . . . 0.0 111.141 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -112.7 150.92 30.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.22 176.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 89.5 t -121.35 126.15 74.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.18 175.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 60.6 tp -89.61 126.69 35.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.218 174.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 48.7 tt0 -122.18 130.29 53.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.223 -174.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.458 ' HB2' ' HB2' ' A' ' 77' ' ' LEU . 5.5 mp -119.36 138.42 53.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.227 176.324 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -130.44 123.27 29.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.263 177.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . 0.401 ' HB ' ' HB3' ' A' ' 75' ' ' LEU . 5.2 mp -122.0 123.97 70.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.23 -176.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 97.2 m -80.41 121.07 25.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.176 177.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 74.0 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.216 -178.784 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.548 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 60.0 tp . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.828 0.346 . . . . 0.0 111.166 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.548 ' CD ' ' N ' ' A' ' 40' ' ' LEU . 80.1 Cg_exo -50.11 -42.69 45.48 Favored 'Trans proline' 0 N--CA 1.457 -0.63 0 C-N-CA 121.777 1.651 . . . . 0.0 111.146 178.164 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 93.2 m -66.46 -50.54 62.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.177 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 67.6 tp -52.03 -49.17 63.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.178 175.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 69.2 mtm180 -62.24 -44.92 95.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.215 -176.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -53.87 -51.66 62.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.246 177.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . . . -57.74 -42.75 84.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.232 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 91.0 mt -68.93 -35.45 76.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.188 -176.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 66.4 mtt -60.44 -44.01 96.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.21 173.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -61.98 -41.33 97.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.233 178.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 52.5 t -60.08 -44.42 94.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.209 177.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 82.2 mt -74.34 -34.37 63.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.224 -176.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 41.4 t -55.37 -45.77 76.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.175 172.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -79.42 -29.38 41.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.203 -172.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 4.7 m-30 -79.8 -52.79 7.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.238 -176.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.516 ' O ' HG12 ' A' ' 55' ' ' VAL . 87.4 t -90.28 -6.52 10.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.198 -173.594 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 55.9 t30 67.39 39.28 2.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.163 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.403 HG13 HG12 ' A' ' 55' ' ' VAL . 35.4 m -115.35 171.43 4.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.246 174.007 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 81.3 p -92.63 171.54 8.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.192 178.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 96.3 mt -62.18 -31.71 72.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.159 -178.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -72.06 -12.46 61.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.199 -176.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 57.3 m-80 -96.74 8.33 44.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.224 -179.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 34.9 mm -114.32 134.78 56.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.187 178.233 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 90.8 mmt-85 -125.09 123.22 39.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.2 173.041 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 60.2 mt -130.14 129.58 65.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.212 -179.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 44.4 t -148.28 140.79 24.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.224 -177.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -110.09 141.56 42.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.24 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -138.75 137.59 36.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.241 -177.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -95.19 126.25 40.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.161 178.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 70.3 tp60 -142.89 127.2 17.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.225 -176.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 61.46 23.1 13.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.187 -178.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 93.11 -2.28 71.47 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 173.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 61.9 mtt -116.89 154.28 31.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.751 0.31 . . . . 0.0 111.176 -178.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -101.51 133.2 46.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.225 -176.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 88.2 t -127.05 130.41 71.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.166 175.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 40.2 tp -100.1 137.02 39.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.218 179.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 61.4 tt0 -123.79 131.53 53.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.181 -175.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.48 ' HB2' ' HB2' ' B' ' 77' ' ' LEU . 5.4 mp -122.17 140.11 52.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.152 177.248 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -130.62 131.75 45.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.185 176.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.0 mp -120.35 118.88 58.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.225 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 99.8 m -92.25 118.55 30.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.205 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 62.6 tp . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.232 174.765 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.774 0.321 . . . . 0.0 111.248 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -95.83 123.68 39.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.151 -175.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.538 ' N ' ' CD ' ' B' ' 41' ' ' PRO . 60.0 tp -65.57 -42.84 59.02 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.166 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' PRO . . . . . 0.538 ' CD ' ' N ' ' B' ' 40' ' ' LEU . 80.1 Cg_exo -50.11 -42.69 45.48 Favored 'Trans proline' 0 N--CA 1.457 -0.63 0 C-N-CA 121.777 1.651 . . . . 0.0 111.146 178.164 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 93.2 m -66.46 -50.54 62.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.177 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 67.6 tp -52.03 -49.17 63.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.178 175.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 69.2 mtm180 -62.24 -44.92 95.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.215 -176.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -53.87 -51.66 62.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.246 177.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -57.74 -42.75 84.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.232 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 91.0 mt -68.93 -35.45 76.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.188 -176.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' MET . . . . . 0.4 ' HG3' HD12 ' B' ' 64' ' ' ILE . 66.4 mtt -60.44 -44.01 96.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.21 173.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -61.98 -41.33 97.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.233 178.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 52.5 t -60.08 -44.42 94.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.209 177.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 82.2 mt -74.34 -34.37 63.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.224 -176.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 41.4 t -55.37 -45.77 76.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.175 172.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -79.42 -29.38 41.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.203 -172.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 4.7 m-30 -79.8 -52.79 7.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.238 -176.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . 0.519 ' O ' HG12 ' B' ' 55' ' ' VAL . 87.4 t -90.28 -6.52 10.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.198 -173.594 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 55.9 t30 67.39 39.28 2.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.163 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 35.4 m -115.35 171.43 4.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.246 174.007 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 81.3 p -92.63 171.54 8.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.192 178.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 96.3 mt -62.18 -31.71 72.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.159 -178.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -72.06 -12.46 61.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.199 -176.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 57.3 m-80 -96.74 8.33 44.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.224 -179.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 34.9 mm -114.32 134.78 56.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.187 178.233 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 90.8 mmt-85 -125.09 123.22 39.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.2 173.041 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . 0.4 HD12 ' HG3' ' B' ' 48' ' ' MET . 60.2 mt -130.14 129.58 65.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.212 -179.182 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 44.4 t -148.28 140.79 24.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.224 -177.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -110.09 141.56 42.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.24 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -138.75 137.59 36.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.241 -177.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -95.19 126.25 40.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.161 178.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 70.3 tp60 -142.89 127.2 17.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.225 -176.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 61.46 23.1 13.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.187 -178.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . 93.11 -2.28 71.47 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 173.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 61.9 mtt -116.89 154.28 31.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.751 0.31 . . . . 0.0 111.176 -178.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -101.51 133.2 46.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.225 -176.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 88.2 t -127.05 130.41 71.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.166 175.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 40.2 tp -100.1 137.02 39.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.218 179.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 61.4 tt0 -123.79 131.53 53.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.181 -175.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.48 ' HB2' ' HB2' ' A' ' 77' ' ' LEU . 5.4 mp -122.17 140.11 52.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.152 177.248 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -130.62 131.75 45.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.185 176.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 5.0 mp -120.35 118.88 58.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.225 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 99.8 m -92.25 118.55 30.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.205 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 62.6 tp . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.232 174.765 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.561 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 83.7 mt . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.746 0.308 . . . . 0.0 111.146 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.561 ' CD ' ' N ' ' A' ' 40' ' ' LEU . 71.9 Cg_exo -50.48 -46.53 28.95 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 121.691 1.594 . . . . 0.0 111.222 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 94.1 m -70.72 -41.98 71.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.18 178.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 95.9 mt -61.78 -32.65 72.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.209 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 71.8 mtp180 -65.51 -45.29 84.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.211 177.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -60.36 -46.33 90.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.203 174.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . . . -59.36 -41.27 88.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.214 179.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 44.1 tp -64.02 -42.25 97.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.179 -179.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 97.8 mtp -57.3 -45.64 83.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.233 175.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -61.12 -42.53 98.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.222 -179.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 52.7 t -59.2 -41.89 85.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.219 177.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 44.3 tp -68.75 -42.06 78.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.253 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 80.3 p -62.78 -26.67 68.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -78.77 -33.85 46.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.209 176.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 9.3 m-30 -62.72 -42.21 99.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.189 -178.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.413 HG23 HG22 ' A' ' 57' ' ' VAL . 27.5 m -113.44 6.4 7.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.187 -178.333 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 58.99 42.49 19.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.237 169.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.413 HG22 HG23 ' A' ' 55' ' ' VAL . 25.9 m -110.42 -168.4 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.193 174.389 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 28.9 t -105.17 161.46 14.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.257 178.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 95.7 mt -67.92 -14.93 63.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.211 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -67.83 -21.15 65.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.203 179.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -97.7 8.31 44.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.166 -178.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 79.1 mt -124.07 136.45 60.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.173 -176.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 90.8 mmt-85 -129.81 142.27 50.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.221 176.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.423 ' HA ' ' O ' ' A' ' 76' ' ' GLU . 19.2 tt -143.68 137.38 24.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.249 177.065 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 45.8 t -142.31 148.88 38.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.279 -173.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -112.1 132.61 54.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.202 175.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -140.69 139.54 34.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.243 -178.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -92.7 125.45 37.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.18 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 70.3 tp60 -142.36 123.65 14.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.206 -177.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 61.09 28.64 18.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.227 179.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 95.13 -15.89 62.44 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 175.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 90.2 mmm -102.33 152.02 21.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.814 0.34 . . . . 0.0 111.186 -174.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -100.54 119.13 38.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.133 178.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 86.6 t -115.72 129.5 71.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.207 -174.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 81.9 mt -93.79 140.27 29.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.227 173.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.423 ' O ' ' HA ' ' A' ' 64' ' ' ILE . 68.8 tt0 -127.0 118.19 23.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.224 178.496 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.454 ' HB3' ' HB3' ' B' ' 77' ' ' LEU . 53.0 tp -114.65 124.86 52.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.16 -178.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -125.72 143.47 51.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.239 -176.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 20.2 tt -142.26 136.42 28.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.147 174.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 97.4 m -97.32 116.85 30.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.206 178.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 78.1 mt . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.204 -178.394 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.791 0.329 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -114.09 125.2 53.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.146 -179.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.565 ' N ' ' CD ' ' B' ' 41' ' ' PRO . 83.7 mt -64.17 -41.91 64.62 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 -171.62 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' PRO . . . . . 0.565 ' CD ' ' N ' ' B' ' 40' ' ' LEU . 71.9 Cg_exo -50.48 -46.53 28.95 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 121.691 1.594 . . . . 0.0 111.222 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 94.1 m -70.72 -41.98 71.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.18 178.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 95.9 mt -61.78 -32.65 72.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.209 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 71.8 mtp180 -65.51 -45.29 84.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.211 177.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -60.36 -46.33 90.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.203 174.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -59.36 -41.27 88.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.214 179.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 44.1 tp -64.02 -42.25 97.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.179 -179.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 97.8 mtp -57.3 -45.64 83.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.233 175.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -61.12 -42.53 98.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.222 -179.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 52.7 t -59.2 -41.89 85.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.219 177.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 44.3 tp -68.75 -42.06 78.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.253 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 80.3 p -62.78 -26.67 68.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -78.77 -33.85 46.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.209 176.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 9.3 m-30 -62.72 -42.21 99.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.189 -178.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . 0.424 HG23 HG22 ' B' ' 57' ' ' VAL . 27.5 m -113.44 6.4 7.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.187 -178.333 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 58.99 42.49 19.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.237 169.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.424 HG22 HG23 ' B' ' 55' ' ' VAL . 25.9 m -110.42 -168.4 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.193 174.389 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 28.9 t -105.17 161.46 14.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.257 178.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 95.7 mt -67.92 -14.93 63.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.211 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -67.83 -21.15 65.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.203 179.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -97.7 8.31 44.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.166 -178.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 79.1 mt -124.07 136.45 60.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.173 -176.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 90.8 mmt-85 -129.81 142.27 50.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.221 176.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . 0.426 ' HA ' ' O ' ' B' ' 76' ' ' GLU . 19.2 tt -143.68 137.38 24.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.249 177.065 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 45.8 t -142.31 148.88 38.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.279 -173.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -112.1 132.61 54.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.202 175.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -140.69 139.54 34.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.243 -178.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -92.7 125.45 37.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.18 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 70.3 tp60 -142.36 123.65 14.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.206 -177.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 61.09 28.64 18.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.227 179.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . 95.13 -15.89 62.44 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 175.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 90.2 mmm -102.33 152.02 21.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.814 0.34 . . . . 0.0 111.186 -174.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -100.54 119.13 38.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.133 178.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 86.6 t -115.72 129.5 71.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.207 -174.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 81.9 mt -93.79 140.27 29.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.227 173.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . 0.426 ' O ' ' HA ' ' B' ' 64' ' ' ILE . 68.8 tt0 -127.0 118.19 23.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.224 178.496 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.454 ' HB3' ' HB3' ' A' ' 77' ' ' LEU . 53.0 tp -114.65 124.86 52.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.16 -178.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -125.72 143.47 51.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.239 -176.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 20.2 tt -142.26 136.42 28.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.147 174.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 97.4 m -97.32 116.85 30.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.206 178.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 78.1 mt . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.204 -178.394 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.571 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 54.2 tp . . . . . 0 CA--C 1.523 -0.081 0 CA-C-O 120.808 0.337 . . . . 0.0 111.221 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.571 ' CD ' ' N ' ' A' ' 40' ' ' LEU . 85.0 Cg_exo -52.78 -35.24 68.63 Favored 'Trans proline' 0 N--CA 1.459 -0.548 0 C-N-CA 121.691 1.594 . . . . 0.0 111.18 177.041 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 60.4 p -75.63 -33.91 60.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.225 -177.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 89.5 mt -64.61 -40.32 95.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.212 169.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 77.7 mtp180 -64.93 -40.19 94.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.2 178.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -65.69 -40.53 92.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.243 175.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . . . -61.72 -37.5 84.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.16 177.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 77.6 mt -64.75 -44.66 89.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.178 176.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 98.9 mtp -58.65 -39.85 81.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.196 176.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -56.28 -56.44 21.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.143 178.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 28.6 m -70.29 -25.76 27.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.179 -172.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.2 mp -69.86 -39.91 76.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.2 173.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 82.7 p -65.66 -29.96 70.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.175 178.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -79.12 -35.88 41.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.176 -173.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -80.26 -39.93 27.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.163 -175.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.531 ' O ' HG12 ' A' ' 55' ' ' VAL . 66.0 t -96.78 -4.85 9.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.199 -176.389 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 64.04 34.23 11.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.187 175.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.47 HG13 HG12 ' A' ' 55' ' ' VAL . 29.2 m -105.08 175.24 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.209 173.437 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 79.0 p -98.82 168.22 10.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.169 176.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 95.3 mt -64.13 -27.24 68.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.23 -179.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -69.97 -17.31 63.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.159 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 63.0 m-80 -99.79 9.23 43.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.172 -179.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 85.4 mt -119.84 136.05 58.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.24 -178.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 90.1 mmt-85 -123.1 148.32 45.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.169 174.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 19.4 tt -152.88 130.3 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.199 -178.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.2 t -159.87 145.11 15.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.264 -178.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -106.14 140.34 39.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.228 178.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -136.23 141.23 43.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.205 -176.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -97.63 121.11 39.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.226 179.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 69.5 tp60 -138.86 125.49 20.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.198 -178.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 61.23 27.53 17.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.184 -179.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 92.68 -15.76 61.78 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 176.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 95.3 mtp -101.72 148.28 25.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.773 0.32 . . . . 0.0 111.196 -173.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -100.43 127.8 46.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.228 -179.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 96.3 t -123.6 124.48 69.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.203 177.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 55.1 tp -92.34 128.48 38.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.224 174.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 58.7 tt0 -118.42 132.2 56.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.176 -174.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.42 ' HB2' ' HB2' ' B' ' 77' ' ' LEU . 4.4 mp -121.92 141.86 50.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.221 175.592 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -133.05 135.03 45.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.241 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 88.2 mt -118.0 117.22 54.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.181 172.013 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 97.4 m -92.8 118.44 31.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.251 -176.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 81.7 mt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.225 176.49 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.8 0.333 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -99.81 18.24 18.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.255 176.272 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.576 ' N ' ' CD ' ' B' ' 41' ' ' PRO . 54.2 tp -71.22 -42.03 11.27 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.221 175.528 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' PRO . . . . . 0.576 ' CD ' ' N ' ' B' ' 40' ' ' LEU . 85.0 Cg_exo -52.78 -35.24 68.63 Favored 'Trans proline' 0 N--CA 1.459 -0.548 0 C-N-CA 121.691 1.594 . . . . 0.0 111.18 177.041 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 60.4 p -75.63 -33.91 60.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.225 -177.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 89.5 mt -64.61 -40.32 95.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.212 169.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 77.7 mtp180 -64.93 -40.19 94.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.2 178.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -65.69 -40.53 92.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.243 175.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -61.72 -37.5 84.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.16 177.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 77.6 mt -64.75 -44.66 89.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.178 176.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 98.9 mtp -58.65 -39.85 81.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.196 176.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -56.28 -56.44 21.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.143 178.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 28.6 m -70.29 -25.76 27.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.179 -172.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 6.2 mp -69.86 -39.91 76.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.2 173.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 82.7 p -65.66 -29.96 70.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.175 178.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -79.12 -35.88 41.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.176 -173.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -80.26 -39.93 27.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.163 -175.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . 0.526 ' O ' HG12 ' B' ' 55' ' ' VAL . 66.0 t -96.78 -4.85 9.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.199 -176.389 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 64.04 34.23 11.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.187 175.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.471 HG13 HG12 ' B' ' 55' ' ' VAL . 29.2 m -105.08 175.24 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.209 173.437 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 79.0 p -98.82 168.22 10.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.169 176.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 95.3 mt -64.13 -27.24 68.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.23 -179.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -69.97 -17.31 63.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.159 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 63.0 m-80 -99.79 9.23 43.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.172 -179.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 85.4 mt -119.84 136.05 58.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.24 -178.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 90.1 mmt-85 -123.1 148.32 45.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.169 174.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 19.4 tt -152.88 130.3 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.199 -178.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 48.2 t -159.87 145.11 15.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.264 -178.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -106.14 140.34 39.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.228 178.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -136.23 141.23 43.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.205 -176.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -97.63 121.11 39.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.226 179.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 69.5 tp60 -138.86 125.49 20.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.198 -178.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 61.23 27.53 17.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.184 -179.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . 92.68 -15.76 61.78 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 176.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 95.3 mtp -101.72 148.28 25.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.773 0.32 . . . . 0.0 111.196 -173.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -100.43 127.8 46.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.228 -179.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 96.3 t -123.6 124.48 69.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.203 177.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 55.1 tp -92.34 128.48 38.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.224 174.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 58.7 tt0 -118.42 132.2 56.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.176 -174.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.42 ' HB2' ' HB2' ' A' ' 77' ' ' LEU . 4.4 mp -121.92 141.86 50.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.221 175.592 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -133.05 135.03 45.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.241 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 88.2 mt -118.0 117.22 54.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.181 172.013 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 97.4 m -92.8 118.44 31.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.251 -176.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 81.7 mt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.225 176.49 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.606 ' HB3' ' HD3' ' A' ' 41' ' ' PRO . 60.8 tp . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.836 0.35 . . . . 0.0 111.225 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.606 ' HD3' ' HB3' ' A' ' 40' ' ' LEU . 70.0 Cg_exo -48.3 -39.42 35.14 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 121.669 1.58 . . . . 0.0 111.205 177.146 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 97.3 m -70.62 -41.33 72.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.218 176.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 87.5 mt -59.25 -33.63 71.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.192 177.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -65.01 -47.63 76.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.195 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.02 -37.68 88.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.199 175.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . . . -59.5 -40.74 88.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.147 175.134 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 79.0 mt -67.53 -36.3 80.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.222 178.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 68.0 mtt -56.97 -48.63 77.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.169 173.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 61.9 tt0 -54.04 -47.97 71.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.192 174.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 52.8 t -59.81 -41.89 87.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.194 -176.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 85.7 mt -73.56 -36.96 65.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.21 -176.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 82.6 p -67.07 -22.16 65.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.219 178.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -92.29 -31.38 15.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.19 177.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 7.3 m-30 -77.58 -60.36 2.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.164 -178.34 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.61 ' O ' HG12 ' A' ' 55' ' ' VAL . 84.4 t -95.94 0.17 10.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.215 -173.604 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 47.1 t30 64.05 28.9 14.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.173 175.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 32.9 m -90.69 168.65 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.17 174.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 77.9 p -102.48 174.01 6.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.194 176.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 96.4 mt -60.86 -33.54 73.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.103 -179.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -67.88 -17.1 64.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.164 -179.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 64.1 m-80 -103.53 10.77 36.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.194 -177.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 84.0 mt -121.18 126.46 75.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.225 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 89.8 mmt-85 -123.2 126.19 46.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.158 175.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 71.3 mt -124.47 128.21 73.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.215 178.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 17.5 t -139.55 -167.05 2.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.207 -176.275 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -167.43 136.78 2.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.246 -176.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.2 pt-20 -142.36 156.7 45.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.195 178.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -93.32 115.27 27.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.23 -179.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -109.56 105.5 14.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.166 176.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 62.02 -131.82 0.61 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.235 -169.148 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -92.65 10.07 74.67 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -179.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 56.1 mtt -118.72 157.59 27.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.877 0.37 . . . . 0.0 111.154 178.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -109.22 142.19 40.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.198 174.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 90.6 t -123.96 122.54 64.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.176 -178.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.43 ' HB2' ' HB ' ' B' ' 79' ' ' ILE . 84.8 mt -77.66 147.61 35.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.229 170.071 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 58.8 tt0 -133.69 129.22 36.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.215 -179.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.425 ' HB2' ' HB2' ' B' ' 77' ' ' LEU . 5.2 mp -121.32 137.18 54.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.207 174.671 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -126.05 129.49 49.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.21 177.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.41 ' HB ' ' HB2' ' B' ' 75' ' ' LEU . 5.0 mp -121.26 115.56 47.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.171 -179.454 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 98.5 m -90.17 119.82 30.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.208 -175.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 59.4 tp . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.256 173.545 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.796 0.331 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -89.67 -43.37 10.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.228 -177.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.611 ' HB3' ' HD3' ' B' ' 41' ' ' PRO . 60.8 tp -57.41 -45.63 99.87 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.225 -176.056 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' PRO . . . . . 0.611 ' HD3' ' HB3' ' B' ' 40' ' ' LEU . 70.0 Cg_exo -48.3 -39.42 35.14 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 121.669 1.58 . . . . 0.0 111.205 177.146 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 97.3 m -70.62 -41.33 72.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.218 176.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 87.5 mt -59.25 -33.63 71.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.192 177.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -65.01 -47.63 76.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.195 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.02 -37.68 88.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.199 175.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -59.5 -40.74 88.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.147 175.134 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 79.0 mt -67.53 -36.3 80.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.222 178.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 68.0 mtt -56.97 -48.63 77.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.169 173.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 61.9 tt0 -54.04 -47.97 71.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.192 174.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 52.8 t -59.81 -41.89 87.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.194 -176.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 85.7 mt -73.56 -36.96 65.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.21 -176.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 82.6 p -67.07 -22.16 65.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.219 178.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -92.29 -31.38 15.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.19 177.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 7.3 m-30 -77.58 -60.36 2.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.164 -178.34 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . 0.598 ' O ' HG12 ' B' ' 55' ' ' VAL . 84.4 t -95.94 0.17 10.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.215 -173.604 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 47.1 t30 64.05 28.9 14.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.173 175.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 32.9 m -90.69 168.65 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.17 174.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 77.9 p -102.48 174.01 6.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.194 176.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 96.4 mt -60.86 -33.54 73.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.103 -179.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -67.88 -17.1 64.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.164 -179.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 64.1 m-80 -103.53 10.77 36.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.194 -177.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 84.0 mt -121.18 126.46 75.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.225 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 89.8 mmt-85 -123.2 126.19 46.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.158 175.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 71.3 mt -124.47 128.21 73.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.215 178.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 17.5 t -139.55 -167.05 2.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.207 -176.275 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -167.43 136.78 2.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.246 -176.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 27.2 pt-20 -142.36 156.7 45.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.195 178.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -93.32 115.27 27.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.23 -179.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -109.56 105.5 14.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.166 176.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 62.02 -131.82 0.61 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.235 -169.148 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -92.65 10.07 74.67 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -179.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 56.1 mtt -118.72 157.59 27.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.877 0.37 . . . . 0.0 111.154 178.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -109.22 142.19 40.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.198 174.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 90.6 t -123.96 122.54 64.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.176 -178.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.41 ' HB2' ' HB ' ' A' ' 79' ' ' ILE . 84.8 mt -77.66 147.61 35.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.229 170.071 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 58.8 tt0 -133.69 129.22 36.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.215 -179.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.425 ' HB2' ' HB2' ' A' ' 77' ' ' LEU . 5.2 mp -121.32 137.18 54.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.207 174.671 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -126.05 129.49 49.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.21 177.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . 0.43 ' HB ' ' HB2' ' A' ' 75' ' ' LEU . 5.0 mp -121.26 115.56 47.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.171 -179.454 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 98.5 m -90.17 119.82 30.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.208 -175.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 59.4 tp . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.256 173.545 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.56 ' HB3' ' HD3' ' A' ' 41' ' ' PRO . 56.7 tp . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.847 0.356 . . . . 0.0 111.235 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.56 ' HD3' ' HB3' ' A' ' 40' ' ' LEU . 79.1 Cg_exo -50.05 -40.43 50.21 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 121.775 1.65 . . . . 0.0 111.201 178.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 98.8 m -69.97 -43.11 72.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.208 177.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 94.2 mt -59.15 -37.74 78.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.215 177.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 77.1 mtp180 -64.96 -45.83 84.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.215 -179.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.89 -42.0 97.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.293 176.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . . . -57.94 -47.53 82.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.203 177.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 89.3 mt -64.29 -36.69 84.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.263 -179.285 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 58.1 ttm -59.69 -46.82 87.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.175 176.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -56.27 -48.37 76.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.204 173.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 50.7 t -57.45 -41.66 79.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.21 -178.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 81.4 mt -64.24 -46.37 84.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.161 179.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 87.3 p -63.76 -26.19 68.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.231 -174.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -98.42 -41.62 7.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.201 -174.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 7.2 m-30 -81.38 -58.33 3.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.222 -178.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.428 ' O ' ' HB2' ' A' ' 56' ' ' ASN . 74.2 t -67.39 -20.09 26.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.164 -174.724 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.428 ' HB2' ' O ' ' A' ' 55' ' ' VAL . 74.8 m-80 66.21 82.87 0.18 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.221 -172.687 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.2 p -163.37 152.96 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.252 -169.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.2 t -85.9 149.95 24.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.187 -178.19 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 96.1 mt -58.94 -33.86 71.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.267 179.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -62.54 -23.03 66.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.206 179.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -98.6 10.82 40.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.237 -176.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 90.9 mt -113.37 127.59 70.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.202 179.14 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 90.4 mmt-85 -123.76 120.73 33.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.192 173.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 77.9 mt -122.48 123.47 68.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.236 177.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 17.3 t -139.84 -166.93 2.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.206 -173.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -156.8 134.3 10.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.23 -175.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.8 pt-20 -129.85 160.24 34.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.199 177.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -91.09 126.04 36.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.152 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.436 ' O ' ' HB2' ' A' ' 70' ' ' ASP . 65.6 tp60 -128.25 109.47 11.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.241 173.74 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.436 ' HB2' ' O ' ' A' ' 69' ' ' GLN . 43.9 m-20 69.19 -126.75 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.178 -176.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -100.98 18.97 53.96 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 178.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 21.6 ptp -141.94 173.17 11.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.822 0.344 . . . . 0.0 111.212 178.313 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -110.21 160.43 16.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.174 178.183 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 90.6 t -125.51 132.74 70.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.158 179.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 57.1 tp -88.6 128.34 35.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.149 178.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 71.2 tt0 -123.98 126.21 45.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.19 -172.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.425 ' HB2' ' HB2' ' B' ' 77' ' ' LEU . 5.3 mp -120.91 129.45 53.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.184 177.048 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 75.5 m-80 -124.44 119.38 29.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.178 179.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.2 mp -117.7 116.94 53.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.225 -177.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 94.3 m -78.55 121.09 24.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.156 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 71.4 mt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.159 -176.453 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.821 0.343 . . . . 0.0 111.234 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -82.17 -32.61 29.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.163 -178.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.584 ' HB3' ' HD3' ' B' ' 41' ' ' PRO . 56.7 tp -63.44 -44.27 81.48 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.235 -167.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' PRO . . . . . 0.584 ' HD3' ' HB3' ' B' ' 40' ' ' LEU . 79.1 Cg_exo -50.05 -40.43 50.21 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 121.775 1.65 . . . . 0.0 111.201 178.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 98.8 m -69.97 -43.11 72.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.208 177.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 94.2 mt -59.15 -37.74 78.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.215 177.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 77.1 mtp180 -64.96 -45.83 84.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.215 -179.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.89 -42.0 97.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.293 176.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -57.94 -47.53 82.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.203 177.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 89.3 mt -64.29 -36.69 84.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.263 -179.285 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 58.1 ttm -59.69 -46.82 87.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.175 176.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -56.27 -48.37 76.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.204 173.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 50.7 t -57.45 -41.66 79.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.21 -178.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 81.4 mt -64.24 -46.37 84.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.161 179.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 87.3 p -63.76 -26.19 68.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.231 -174.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -98.42 -41.62 7.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.201 -174.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 7.2 m-30 -81.38 -58.33 3.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.222 -178.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . 0.425 ' O ' ' HB2' ' B' ' 56' ' ' ASN . 74.2 t -67.39 -20.09 26.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.164 -174.724 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' ASN . . . . . 0.425 ' HB2' ' O ' ' B' ' 55' ' ' VAL . 74.8 m-80 66.21 82.87 0.18 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.221 -172.687 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 12.2 p -163.37 152.96 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.252 -169.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 29.2 t -85.9 149.95 24.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.187 -178.19 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 96.1 mt -58.94 -33.86 71.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.267 179.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -62.54 -23.03 66.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.206 179.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -98.6 10.82 40.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.237 -176.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 90.9 mt -113.37 127.59 70.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.202 179.14 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 90.4 mmt-85 -123.76 120.73 33.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.192 173.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 77.9 mt -122.48 123.47 68.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.236 177.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 17.3 t -139.84 -166.93 2.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.206 -173.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -156.8 134.3 10.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.23 -175.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 24.8 pt-20 -129.85 160.24 34.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.199 177.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -91.09 126.04 36.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.152 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' GLN . . . . . 0.44 ' O ' ' HB2' ' B' ' 70' ' ' ASP . 65.6 tp60 -128.25 109.47 11.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.241 173.74 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.44 ' HB2' ' O ' ' B' ' 69' ' ' GLN . 43.9 m-20 69.19 -126.75 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.178 -176.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -100.98 18.97 53.96 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 178.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 21.6 ptp -141.94 173.17 11.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.822 0.344 . . . . 0.0 111.212 178.313 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -110.21 160.43 16.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.174 178.183 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 90.6 t -125.51 132.74 70.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.158 179.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 57.1 tp -88.6 128.34 35.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.149 178.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 71.2 tt0 -123.98 126.21 45.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.19 -172.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.425 ' HB2' ' HB2' ' A' ' 77' ' ' LEU . 5.3 mp -120.91 129.45 53.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.184 177.048 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 75.5 m-80 -124.44 119.38 29.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.178 179.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 5.2 mp -117.7 116.94 53.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.225 -177.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 94.3 m -78.55 121.09 24.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.156 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 71.4 mt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.159 -176.453 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.59 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 86.7 mt . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.784 0.326 . . . . 0.0 111.184 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.59 ' CD ' ' N ' ' A' ' 40' ' ' LEU . 75.5 Cg_exo -51.05 -33.5 43.28 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 121.73 1.62 . . . . 0.0 111.19 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 71.7 p -91.29 -30.07 16.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.232 -179.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 66.9 tp -54.52 -41.36 69.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.16 170.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 75.5 mtp180 -58.05 -49.97 75.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.224 -176.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.58 -40.12 95.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.178 179.116 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . . . -58.34 -47.58 83.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.217 177.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 94.1 mt -60.8 -35.99 77.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.237 179.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 98.8 mtp -61.97 -48.15 81.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.214 175.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -55.54 -45.9 77.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.188 175.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 55.9 t -53.6 -49.28 56.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.173 179.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 92.6 mt -63.2 -36.75 84.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.214 -176.186 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 60.1 p -65.52 -15.89 63.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.194 -176.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -94.35 -37.65 11.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.216 177.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -75.9 -59.85 2.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.221 -177.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.5 m -103.36 8.29 9.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.207 -171.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 54.75 23.21 4.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.194 172.031 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 74.7 t -85.56 148.77 4.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.161 170.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 28.8 t -94.27 153.11 18.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.186 -166.383 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 95.7 mt -57.6 -28.34 63.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.222 -179.258 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -73.87 -25.93 60.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.248 175.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -103.16 7.92 38.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.174 -176.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 96.7 mt -104.84 136.24 39.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.201 174.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 89.9 mmt-85 -121.42 143.82 49.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.208 173.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 19.6 tt -152.88 128.78 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.242 -178.291 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.0 t -141.52 129.27 21.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.226 -175.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -84.26 119.15 24.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.194 177.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -115.92 179.82 3.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.214 -178.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -127.9 133.83 49.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.219 178.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 69.8 tp60 -140.63 121.21 14.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.192 171.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 60.14 -134.0 0.79 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.218 -171.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -98.05 16.91 59.49 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.141 -0.783 . . . . 0.0 111.141 -178.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 72.9 mtm -128.51 161.93 28.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.758 0.314 . . . . 0.0 111.234 175.175 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -92.84 146.65 23.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.261 174.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 74.7 t -118.63 107.45 21.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.214 175.246 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 62.1 tp -87.26 121.26 29.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.267 179.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -106.75 129.01 54.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.188 -172.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.5 mp -119.81 131.77 55.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.184 177.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -117.43 120.81 39.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.212 -178.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 83.0 mt -107.58 127.36 63.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.154 -176.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 97.1 m -78.42 112.3 15.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.208 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 62.1 mt . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.206 -178.269 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.74 0.305 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -73.28 -50.15 23.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.213 -179.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.59 ' N ' ' CD ' ' B' ' 41' ' ' PRO . 86.7 mt -63.47 -40.08 55.14 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.184 -161.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' PRO . . . . . 0.59 ' CD ' ' N ' ' B' ' 40' ' ' LEU . 75.5 Cg_exo -51.05 -33.5 43.28 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 121.73 1.62 . . . . 0.0 111.19 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 71.7 p -91.29 -30.07 16.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.232 -179.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 66.9 tp -54.52 -41.36 69.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.16 170.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 75.5 mtp180 -58.05 -49.97 75.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.224 -176.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.58 -40.12 95.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.178 179.116 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -58.34 -47.58 83.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.217 177.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 94.1 mt -60.8 -35.99 77.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.237 179.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 98.8 mtp -61.97 -48.15 81.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.214 175.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -55.54 -45.9 77.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.188 175.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 55.9 t -53.6 -49.28 56.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.173 179.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 92.6 mt -63.2 -36.75 84.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.214 -176.186 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 60.1 p -65.52 -15.89 63.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.194 -176.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -94.35 -37.65 11.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.216 177.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -75.9 -59.85 2.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.221 -177.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 34.5 m -103.36 8.29 9.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.207 -171.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 54.75 23.21 4.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.194 172.031 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 74.7 t -85.56 148.77 4.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.161 170.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 28.8 t -94.27 153.11 18.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.186 -166.383 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 95.7 mt -57.6 -28.34 63.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.222 -179.258 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -73.87 -25.93 60.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.248 175.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -103.16 7.92 38.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.174 -176.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 96.7 mt -104.84 136.24 39.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.201 174.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 89.9 mmt-85 -121.42 143.82 49.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.208 173.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 19.6 tt -152.88 128.78 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.242 -178.291 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 48.0 t -141.52 129.27 21.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.226 -175.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -84.26 119.15 24.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.194 177.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -115.92 179.82 3.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.214 -178.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -127.9 133.83 49.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.219 178.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 69.8 tp60 -140.63 121.21 14.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.192 171.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 60.14 -134.0 0.79 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.218 -171.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -98.05 16.91 59.49 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.141 -0.783 . . . . 0.0 111.141 -178.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 72.9 mtm -128.51 161.93 28.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.758 0.314 . . . . 0.0 111.234 175.175 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -92.84 146.65 23.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.261 174.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 74.7 t -118.63 107.45 21.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.214 175.246 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 62.1 tp -87.26 121.26 29.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.267 179.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -106.75 129.01 54.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.188 -172.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 5.5 mp -119.81 131.77 55.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.184 177.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -117.43 120.81 39.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.212 -178.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 83.0 mt -107.58 127.36 63.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.154 -176.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 97.1 m -78.42 112.3 15.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.208 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 62.1 mt . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.206 -178.269 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.578 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 96.9 mt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.8 0.333 . . . . 0.0 111.192 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.578 ' CD ' ' N ' ' A' ' 40' ' ' LEU . 87.0 Cg_exo -50.56 -41.08 54.17 Favored 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 121.73 1.62 . . . . 0.0 111.174 177.588 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 99.1 m -69.19 -46.11 68.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.228 177.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.7 tp -50.52 -47.53 57.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.245 173.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -61.32 -45.84 92.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.259 -175.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -61.25 -42.51 98.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.177 178.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . . . -59.45 -42.29 91.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.166 177.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 92.9 mt -66.44 -39.25 88.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.192 -179.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 65.0 ttp -58.96 -48.96 79.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.208 175.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -51.91 -48.92 63.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.254 176.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.401 HG11 HG11 ' B' ' 50' ' ' VAL . 47.6 t -56.89 -44.67 82.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.257 -177.054 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 96.8 mt -73.14 -36.97 66.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.217 -174.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 40.5 t -61.06 -38.12 85.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.172 176.178 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -86.95 -30.77 21.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.173 -174.032 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 5.5 m-30 -76.39 -59.2 2.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.219 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.6 ' O ' HG12 ' A' ' 55' ' ' VAL . 59.0 t -88.56 0.69 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 -172.027 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 22.4 t30 66.85 21.62 10.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.231 176.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.408 HG13 HG12 ' A' ' 55' ' ' VAL . 35.3 m -94.77 174.36 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.204 175.251 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 51.5 p -108.47 -179.97 4.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.216 173.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.7 pp -63.99 -21.71 66.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.191 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -68.44 -23.96 64.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.225 -179.594 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -103.48 11.12 36.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.168 -177.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 88.0 mt -119.46 120.62 64.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.182 -177.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.443 ' HB3' ' HB2' ' A' ' 78' ' ' ASN . 46.4 ttp180 -111.45 135.33 52.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.219 175.325 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 79.7 mt -121.62 119.5 59.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.214 178.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 40.6 t -129.06 145.74 51.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.195 -175.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -134.61 126.98 30.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.204 176.229 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -132.5 137.44 47.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.212 -175.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -87.87 125.73 34.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.263 176.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -144.67 123.81 12.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.19 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 56.3 39.74 30.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.208 173.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 91.58 -9.02 78.08 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 168.426 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 91.5 mtp -122.97 163.1 21.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.742 0.305 . . . . 0.0 111.231 -177.191 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -103.4 141.31 36.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.171 177.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 95.0 t -118.67 119.63 61.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.174 175.018 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . 0.414 ' HB2' ' HB ' ' B' ' 79' ' ' ILE . 81.4 mt -86.08 142.2 28.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.215 172.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -130.61 126.54 36.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.196 179.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 51.4 mt -114.6 126.08 54.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.222 173.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.443 ' HB2' ' HB3' ' A' ' 63' ' ' ARG . 33.9 m120 -117.93 126.77 52.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.203 -177.242 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.427 ' HB ' ' HB2' ' B' ' 75' ' ' LEU . 5.1 mp -118.03 118.1 57.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.204 -177.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 97.7 m -92.22 117.13 29.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.19 -179.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.1 pt? . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.161 175.849 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.743 0.306 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -114.52 139.39 49.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.159 177.365 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.581 ' N ' ' CD ' ' B' ' 41' ' ' PRO . 96.9 mt -74.69 -40.67 4.17 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.192 -174.076 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' PRO . . . . . 0.581 ' CD ' ' N ' ' B' ' 40' ' ' LEU . 87.0 Cg_exo -50.56 -41.08 54.17 Favored 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 121.73 1.62 . . . . 0.0 111.174 177.588 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 99.1 m -69.19 -46.11 68.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.228 177.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 58.7 tp -50.52 -47.53 57.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.245 173.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -61.32 -45.84 92.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.259 -175.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -61.25 -42.51 98.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.177 178.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -59.45 -42.29 91.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.166 177.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 92.9 mt -66.44 -39.25 88.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.192 -179.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 65.0 ttp -58.96 -48.96 79.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.208 175.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -51.91 -48.92 63.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.254 176.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' VAL . . . . . 0.401 HG11 HG11 ' A' ' 50' ' ' VAL . 47.6 t -56.89 -44.67 82.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.257 -177.054 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 96.8 mt -73.14 -36.97 66.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.217 -174.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 40.5 t -61.06 -38.12 85.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.172 176.178 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -86.95 -30.77 21.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.173 -174.032 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 5.5 m-30 -76.39 -59.2 2.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.219 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . 0.579 ' O ' HG12 ' B' ' 55' ' ' VAL . 59.0 t -88.56 0.69 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 -172.027 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 22.4 t30 66.85 21.62 10.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.231 176.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.428 HG13 HG12 ' B' ' 55' ' ' VAL . 35.3 m -94.77 174.36 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.204 175.251 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 51.5 p -108.47 -179.97 4.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.216 173.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 3.7 pp -63.99 -21.71 66.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.191 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -68.44 -23.96 64.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.225 -179.594 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -103.48 11.12 36.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.168 -177.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 88.0 mt -119.46 120.62 64.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.182 -177.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . 0.449 ' HB3' ' HB2' ' B' ' 78' ' ' ASN . 46.4 ttp180 -111.45 135.33 52.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.219 175.325 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 79.7 mt -121.62 119.5 59.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.214 178.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 40.6 t -129.06 145.74 51.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.195 -175.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -134.61 126.98 30.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.204 176.229 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -132.5 137.44 47.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.212 -175.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -87.87 125.73 34.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.263 176.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -144.67 123.81 12.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.19 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 56.3 39.74 30.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.208 173.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . 91.58 -9.02 78.08 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 168.426 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 91.5 mtp -122.97 163.1 21.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.742 0.305 . . . . 0.0 111.231 -177.191 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -103.4 141.31 36.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.171 177.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 95.0 t -118.67 119.63 61.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.174 175.018 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . 0.427 ' HB2' ' HB ' ' A' ' 79' ' ' ILE . 81.4 mt -86.08 142.2 28.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.215 172.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -130.61 126.54 36.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.196 179.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 51.4 mt -114.6 126.08 54.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.222 173.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 78' ' ' ASN . . . . . 0.449 ' HB2' ' HB3' ' B' ' 63' ' ' ARG . 33.9 m120 -117.93 126.77 52.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.203 -177.242 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . 0.414 ' HB ' ' HB2' ' A' ' 75' ' ' LEU . 5.1 mp -118.03 118.1 57.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.204 -177.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 97.7 m -92.22 117.13 29.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.19 -179.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 2.1 pt? . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.161 175.849 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.556 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 52.3 tp . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.812 0.339 . . . . 0.0 111.233 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.556 ' CD ' ' N ' ' A' ' 40' ' ' LEU . 86.9 Cg_exo -51.21 -41.95 55.9 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 121.699 1.599 . . . . 0.0 111.225 175.735 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 96.0 m -54.27 -49.51 69.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.189 174.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 92.0 mt -61.1 -39.75 91.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.227 178.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -58.88 -45.64 89.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.187 175.308 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -69.98 -31.68 69.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.216 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . . . -61.05 -42.87 99.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.215 174.5 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 89.8 mt -63.16 -37.88 88.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.189 175.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 87.5 mtp -61.47 -45.92 92.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.163 176.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -53.79 -44.98 70.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.157 173.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 52.8 t -59.09 -42.03 85.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.219 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 89.2 mt -65.79 -35.76 81.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.185 -177.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 65.4 p -66.96 -15.04 63.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.182 179.026 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 99.9 mttt -101.0 -34.97 9.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.204 177.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 10.9 m-30 -77.45 -64.99 1.02 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.203 179.114 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.4 m -107.43 3.94 9.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.275 -170.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 61.99 22.66 13.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.225 171.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 53.5 t -84.6 145.44 8.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.169 174.085 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 31.0 t -94.82 160.58 14.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.235 -167.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 94.6 mt -56.42 -40.3 74.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.22 -177.154 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -68.61 -18.14 64.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.199 -178.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -101.76 13.08 35.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.219 -175.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 77.5 mt -120.01 131.68 71.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.158 178.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 89.8 mmt-85 -119.79 129.4 54.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 175.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 78.5 mt -127.57 129.78 70.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.201 179.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 47.1 t -149.77 142.25 24.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.223 -179.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -105.38 135.37 46.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.226 -175.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -124.58 -175.42 3.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.216 177.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -128.91 132.41 47.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.186 179.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 67.9 tp60 -133.17 117.3 17.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.209 175.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 64.7 -128.94 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.207 -172.009 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -103.81 20.65 40.74 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 176.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 88.3 mtp -128.17 159.54 34.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.805 0.336 . . . . 0.0 111.202 178.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -98.44 144.69 27.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.188 178.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 72.4 t -124.48 112.04 30.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.232 176.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 59.6 tp -87.87 128.44 35.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.193 177.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -113.49 133.64 55.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.223 -173.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.7 mp -120.77 131.48 54.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.179 175.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -116.81 120.16 37.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.183 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 64.4 mt -109.61 107.78 23.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.183 -173.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 97.7 m -89.24 124.49 34.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.201 -175.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.0 pp . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.193 176.166 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.805 0.336 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -108.75 17.48 21.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.214 176.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.559 ' N ' ' CD ' ' B' ' 41' ' ' PRO . 52.3 tp -66.65 -42.34 44.84 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.233 174.542 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' PRO . . . . . 0.559 ' CD ' ' N ' ' B' ' 40' ' ' LEU . 86.9 Cg_exo -51.21 -41.95 55.9 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 121.699 1.599 . . . . 0.0 111.225 175.735 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 96.0 m -54.27 -49.51 69.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.189 174.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 92.0 mt -61.1 -39.75 91.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.227 178.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -58.88 -45.64 89.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.187 175.308 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -69.98 -31.68 69.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.216 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -61.05 -42.87 99.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.215 174.5 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 89.8 mt -63.16 -37.88 88.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.189 175.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 87.5 mtp -61.47 -45.92 92.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.163 176.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -53.79 -44.98 70.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.157 173.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 52.8 t -59.09 -42.03 85.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.219 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 89.2 mt -65.79 -35.76 81.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.185 -177.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 65.4 p -66.96 -15.04 63.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.182 179.026 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 99.9 mttt -101.0 -34.97 9.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.204 177.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 10.9 m-30 -77.45 -64.99 1.02 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.203 179.114 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 27.4 m -107.43 3.94 9.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.275 -170.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 61.99 22.66 13.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.225 171.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 53.5 t -84.6 145.44 8.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.169 174.085 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 31.0 t -94.82 160.58 14.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.235 -167.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 94.6 mt -56.42 -40.3 74.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.22 -177.154 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -68.61 -18.14 64.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.199 -178.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -101.76 13.08 35.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.219 -175.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 77.5 mt -120.01 131.68 71.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.158 178.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 89.8 mmt-85 -119.79 129.4 54.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 175.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 78.5 mt -127.57 129.78 70.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.201 179.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 47.1 t -149.77 142.25 24.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.223 -179.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -105.38 135.37 46.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.226 -175.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -124.58 -175.42 3.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.216 177.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -128.91 132.41 47.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.186 179.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 67.9 tp60 -133.17 117.3 17.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.209 175.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 64.7 -128.94 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.207 -172.009 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -103.81 20.65 40.74 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 176.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 88.3 mtp -128.17 159.54 34.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.805 0.336 . . . . 0.0 111.202 178.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -98.44 144.69 27.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.188 178.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 72.4 t -124.48 112.04 30.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.232 176.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 59.6 tp -87.87 128.44 35.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.193 177.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -113.49 133.64 55.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.223 -173.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 5.7 mp -120.77 131.48 54.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.179 175.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -116.81 120.16 37.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.183 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 64.4 mt -109.61 107.78 23.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.183 -173.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 97.7 m -89.24 124.49 34.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.201 -175.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 4.0 pp . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.193 176.166 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.547 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 72.3 mt . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.836 0.35 . . . . 0.0 111.253 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . 0.547 ' CD ' ' N ' ' A' ' 40' ' ' LEU . 71.5 Cg_exo -50.4 -39.98 53.63 Favored 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 121.686 1.591 . . . . 0.0 111.172 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 67.5 p -80.52 -31.47 37.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.207 -176.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 94.3 mt -64.88 -34.98 79.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 171.275 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 77.5 mtp180 -65.13 -43.79 90.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.192 177.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -55.57 -48.59 74.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.169 171.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . . . -56.85 -41.04 77.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.218 178.23 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 77.1 mt -65.28 -37.13 86.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.218 -179.286 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 99.0 mtp -59.52 -46.28 89.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.224 173.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.26 -40.98 92.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.247 178.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 55.4 t -60.43 -43.66 94.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.178 177.142 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 78.7 mt -70.29 -36.03 74.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.203 -179.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 42.9 t -58.58 -38.23 77.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.224 176.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -80.32 -27.86 38.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.228 -177.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 10.3 m-30 -79.34 -58.75 3.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.215 -178.101 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.59 ' O ' HG12 ' A' ' 55' ' ' VAL . 77.9 t -88.24 -2.38 8.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.155 -171.124 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 22.9 m120 65.07 29.8 11.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.166 174.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.417 HG13 HG12 ' A' ' 55' ' ' VAL . 34.1 m -112.13 173.88 2.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.162 170.519 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 83.3 p -93.71 173.13 7.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.174 -176.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.12 -28.14 69.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.139 -179.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -70.28 -15.72 62.93 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.142 -178.26 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 58.1 m-80 -99.4 12.12 37.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.17 -178.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 74.3 mt -121.67 134.55 64.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.197 -177.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 90.5 mmt-85 -126.32 128.85 47.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.169 178.075 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 58.5 mt -129.0 131.52 68.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.183 174.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 45.3 t -115.03 129.54 56.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.196 -177.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -105.78 110.55 22.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.193 176.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 74.4 mt-10 -130.5 157.35 42.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.155 -172.043 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -100.88 114.77 28.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.162 179.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 69.3 tp60 -103.96 97.93 7.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.257 176.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 62.38 -126.29 0.69 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.191 -174.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -91.94 8.24 78.25 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -178.038 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 51.0 mtt -124.21 159.76 29.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.796 0.332 . . . . 0.0 111.191 177.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -106.15 138.88 41.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.185 174.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 91.0 t -125.44 131.23 72.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.197 -177.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 94.1 mt -97.11 135.05 39.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.202 174.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -120.1 130.06 54.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.217 174.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.521 ' HB2' ' HB2' ' B' ' 77' ' ' LEU . 5.5 mp -117.41 136.31 53.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.247 178.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 -130.07 132.84 46.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.205 176.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 19.0 tt -146.77 138.65 18.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.202 177.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 94.2 m -112.56 134.5 54.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.151 -171.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 65.4 tp . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.217 174.333 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.788 0.328 . . . . 0.0 111.245 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 15.3 m-30 -74.72 -41.48 60.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.214 178.155 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.538 ' N ' ' CD ' ' B' ' 41' ' ' PRO . 72.3 mt -60.65 -43.07 91.14 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.253 -165.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' PRO . . . . . 0.538 ' CD ' ' N ' ' B' ' 40' ' ' LEU . 71.5 Cg_exo -50.4 -39.98 53.63 Favored 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 121.686 1.591 . . . . 0.0 111.172 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 67.5 p -80.52 -31.47 37.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.207 -176.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 94.3 mt -64.88 -34.98 79.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 171.275 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 77.5 mtp180 -65.13 -43.79 90.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.192 177.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -55.57 -48.59 74.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.169 171.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -56.85 -41.04 77.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.218 178.23 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 77.1 mt -65.28 -37.13 86.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.218 -179.286 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 99.0 mtp -59.52 -46.28 89.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.224 173.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.26 -40.98 92.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.247 178.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 55.4 t -60.43 -43.66 94.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.178 177.142 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 78.7 mt -70.29 -36.03 74.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.203 -179.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 42.9 t -58.58 -38.23 77.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.224 176.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -80.32 -27.86 38.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.228 -177.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 10.3 m-30 -79.34 -58.75 3.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.215 -178.101 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' VAL . . . . . 0.594 ' O ' HG12 ' B' ' 55' ' ' VAL . 77.9 t -88.24 -2.38 8.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.155 -171.124 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 22.9 m120 65.07 29.8 11.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.166 174.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' VAL . . . . . 0.408 HG13 HG12 ' B' ' 55' ' ' VAL . 34.1 m -112.13 173.88 2.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.162 170.519 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 83.3 p -93.71 173.13 7.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.174 -176.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.12 -28.14 69.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.139 -179.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -70.28 -15.72 62.93 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.142 -178.26 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 58.1 m-80 -99.4 12.12 37.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.17 -178.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 74.3 mt -121.67 134.55 64.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.197 -177.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 90.5 mmt-85 -126.32 128.85 47.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.169 178.075 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 58.5 mt -129.0 131.52 68.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.183 174.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 45.3 t -115.03 129.54 56.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.196 -177.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -105.78 110.55 22.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.193 176.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 74.4 mt-10 -130.5 157.35 42.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.155 -172.043 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -100.88 114.77 28.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.162 179.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 69.3 tp60 -103.96 97.93 7.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.257 176.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 62.38 -126.29 0.69 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.191 -174.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -91.94 8.24 78.25 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -178.038 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 51.0 mtt -124.21 159.76 29.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.796 0.332 . . . . 0.0 111.191 177.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -106.15 138.88 41.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.185 174.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 91.0 t -125.44 131.23 72.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.197 -177.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 94.1 mt -97.11 135.05 39.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.202 174.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -120.1 130.06 54.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.217 174.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.521 ' HB2' ' HB2' ' A' ' 77' ' ' LEU . 5.5 mp -117.41 136.31 53.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.247 178.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 -130.07 132.84 46.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.205 176.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 19.0 tt -146.77 138.65 18.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.202 177.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 94.2 m -112.56 134.5 54.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.151 -171.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 65.4 tp . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.217 174.333 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.841 0.353 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 44.2 p90 -95.89 -23.17 17.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.206 -178.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.574 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 78.3 mt -69.67 -41.16 15.52 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.235 -173.342 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.574 ' CD ' ' N ' ' A' ' 40' ' ' LEU . 93.2 Cg_exo -51.64 -38.66 66.12 Favored 'Trans proline' 0 N--CA 1.458 -0.573 0 C-N-CA 121.659 1.573 . . . . 0.0 111.158 177.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 70.3 p -77.67 -32.78 53.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.197 -176.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 92.2 mt -65.7 -35.97 82.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.223 172.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 70.0 mtp180 -66.36 -41.64 89.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.21 177.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -62.78 -39.91 95.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.174 174.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . . . -60.94 -38.72 86.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.209 176.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 80.4 mt -64.73 -36.21 83.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.186 178.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 95.4 mtp -61.4 -43.55 98.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.215 175.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -58.36 -48.26 81.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.166 175.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 54.1 t -59.41 -43.05 89.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.203 -178.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 51.8 mt -68.45 -41.96 79.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.172 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 42.8 t -56.52 -35.66 68.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.213 177.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -83.06 -31.45 27.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.218 -175.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 8.5 m-30 -74.51 -58.5 3.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.159 -175.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 31.5 m -108.22 13.58 8.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.251 -174.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 61.98 31.44 18.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.174 165.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 34.9 m -93.79 166.25 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.242 171.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 82.3 p -94.62 170.53 9.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.179 176.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 96.3 mt -62.04 -32.65 73.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.259 -179.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -69.01 -16.16 63.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.154 -178.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 62.7 m-80 -97.85 10.03 41.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.193 -177.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 75.3 mt -121.66 131.89 72.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.235 -179.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 90.5 mmt-85 -123.76 123.52 40.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.174 174.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 57.3 mt -128.95 128.16 67.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.182 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 47.6 t -157.34 149.61 22.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.139 -178.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -104.16 145.64 29.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.15 177.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -133.91 145.59 49.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.201 174.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -76.99 116.07 17.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 -178.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 69.4 tp60 -112.57 101.69 9.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.215 174.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 62.63 -128.0 0.62 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.177 -174.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -90.85 4.5 81.78 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.3 -0.72 . . . . 0.0 111.3 -179.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 76.7 mtm -125.02 171.76 9.98 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.855 0.359 . . . . 0.0 111.141 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -112.7 150.92 30.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.22 176.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 89.5 t -121.35 126.15 74.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.18 175.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.401 ' HB3' ' HB ' ' B' ' 79' ' ' ILE . 60.6 tp -89.61 126.69 35.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.218 174.02 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 48.7 tt0 -122.18 130.29 53.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.223 -174.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.458 ' HB2' ' HB2' ' B' ' 77' ' ' LEU . 5.5 mp -119.36 138.42 53.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.227 176.324 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -130.44 123.27 29.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.263 177.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.2 mp -122.0 123.97 70.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.23 -176.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 97.2 m -80.41 121.07 25.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.176 177.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 74.0 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.216 -178.784 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.841 0.353 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 44.2 p90 -95.89 -23.17 17.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.206 -178.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.583 ' N ' ' CD ' ' B' ' 41' ' ' PRO . 78.3 mt -69.67 -41.16 15.52 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.235 -173.342 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' PRO . . . . . 0.583 ' CD ' ' N ' ' B' ' 40' ' ' LEU . 93.2 Cg_exo -51.64 -38.66 66.12 Favored 'Trans proline' 0 N--CA 1.458 -0.573 0 C-N-CA 121.659 1.573 . . . . 0.0 111.158 177.542 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 70.3 p -77.67 -32.78 53.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.197 -176.199 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 92.2 mt -65.7 -35.97 82.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.223 172.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 70.0 mtp180 -66.36 -41.64 89.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.21 177.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -62.78 -39.91 95.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.174 174.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -60.94 -38.72 86.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.209 176.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 80.4 mt -64.73 -36.21 83.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.186 178.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 95.4 mtp -61.4 -43.55 98.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.215 175.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -58.36 -48.26 81.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.166 175.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 54.1 t -59.41 -43.05 89.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.203 -178.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 51.8 mt -68.45 -41.96 79.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.172 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 42.8 t -56.52 -35.66 68.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.213 177.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -83.06 -31.45 27.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.218 -175.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 8.5 m-30 -74.51 -58.5 3.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.159 -175.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 31.5 m -108.22 13.58 8.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.251 -174.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 61.98 31.44 18.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.174 165.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 34.9 m -93.79 166.25 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.242 171.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 82.3 p -94.62 170.53 9.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.179 176.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 96.3 mt -62.04 -32.65 73.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.259 -179.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -69.01 -16.16 63.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.154 -178.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 62.7 m-80 -97.85 10.03 41.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.193 -177.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 75.3 mt -121.66 131.89 72.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.235 -179.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 90.5 mmt-85 -123.76 123.52 40.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.174 174.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 57.3 mt -128.95 128.16 67.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.182 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 47.6 t -157.34 149.61 22.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.139 -178.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -104.16 145.64 29.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.15 177.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -133.91 145.59 49.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.201 174.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -76.99 116.07 17.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.226 -178.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 69.4 tp60 -112.57 101.69 9.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.215 174.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 62.63 -128.0 0.62 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.177 -174.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -90.85 4.5 81.78 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.3 -0.72 . . . . 0.0 111.3 -179.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 76.7 mtm -125.02 171.76 9.98 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.855 0.359 . . . . 0.0 111.141 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 76.8 m-20 -112.7 150.92 30.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.22 176.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 89.5 t -121.35 126.15 74.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.18 175.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 60.6 tp -89.61 126.69 35.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.218 174.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 48.7 tt0 -122.18 130.29 53.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.223 -174.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.458 ' HB2' ' HB2' ' A' ' 77' ' ' LEU . 5.5 mp -119.36 138.42 53.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.227 176.324 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 70.8 m-80 -130.44 123.27 29.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.263 177.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . 0.401 ' HB ' ' HB3' ' A' ' 75' ' ' LEU . 5.2 mp -122.0 123.97 70.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.23 -176.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 97.2 m -80.41 121.07 25.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.176 177.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 74.0 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.216 -178.784 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.774 0.321 . . . . 0.0 111.248 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -95.83 123.68 39.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.151 -175.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.548 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 60.0 tp -65.57 -42.84 59.02 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.166 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.548 ' CD ' ' N ' ' A' ' 40' ' ' LEU . 80.1 Cg_exo -50.11 -42.69 45.48 Favored 'Trans proline' 0 N--CA 1.457 -0.63 0 C-N-CA 121.777 1.651 . . . . 0.0 111.146 178.164 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 93.2 m -66.46 -50.54 62.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.177 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 67.6 tp -52.03 -49.17 63.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.178 175.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 69.2 mtm180 -62.24 -44.92 95.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.215 -176.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -53.87 -51.66 62.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.246 177.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . . . -57.74 -42.75 84.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.232 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 91.0 mt -68.93 -35.45 76.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.188 -176.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 66.4 mtt -60.44 -44.01 96.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.21 173.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -61.98 -41.33 97.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.233 178.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 52.5 t -60.08 -44.42 94.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.209 177.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 82.2 mt -74.34 -34.37 63.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.224 -176.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 41.4 t -55.37 -45.77 76.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.175 172.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -79.42 -29.38 41.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.203 -172.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 4.7 m-30 -79.8 -52.79 7.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.238 -176.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.516 ' O ' HG12 ' A' ' 55' ' ' VAL . 87.4 t -90.28 -6.52 10.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.198 -173.594 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 55.9 t30 67.39 39.28 2.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.163 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.403 HG13 HG12 ' A' ' 55' ' ' VAL . 35.4 m -115.35 171.43 4.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.246 174.007 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 81.3 p -92.63 171.54 8.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.192 178.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 96.3 mt -62.18 -31.71 72.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.159 -178.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -72.06 -12.46 61.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.199 -176.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 57.3 m-80 -96.74 8.33 44.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.224 -179.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 34.9 mm -114.32 134.78 56.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.187 178.233 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 90.8 mmt-85 -125.09 123.22 39.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.2 173.041 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 60.2 mt -130.14 129.58 65.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.212 -179.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 44.4 t -148.28 140.79 24.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.224 -177.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -110.09 141.56 42.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.24 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -138.75 137.59 36.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.241 -177.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -95.19 126.25 40.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.161 178.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 70.3 tp60 -142.89 127.2 17.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.225 -176.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 61.46 23.1 13.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.187 -178.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 93.11 -2.28 71.47 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 173.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 61.9 mtt -116.89 154.28 31.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.751 0.31 . . . . 0.0 111.176 -178.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -101.51 133.2 46.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.225 -176.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 88.2 t -127.05 130.41 71.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.166 175.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 40.2 tp -100.1 137.02 39.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.218 179.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 61.4 tt0 -123.79 131.53 53.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.181 -175.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.48 ' HB2' ' HB2' ' B' ' 77' ' ' LEU . 5.4 mp -122.17 140.11 52.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.152 177.248 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -130.62 131.75 45.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.185 176.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.0 mp -120.35 118.88 58.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.225 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 99.8 m -92.25 118.55 30.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.205 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 62.6 tp . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.232 174.765 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.774 0.321 . . . . 0.0 111.248 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -95.83 123.68 39.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.151 -175.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.538 ' N ' ' CD ' ' B' ' 41' ' ' PRO . 60.0 tp -65.57 -42.84 59.02 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.166 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' PRO . . . . . 0.538 ' CD ' ' N ' ' B' ' 40' ' ' LEU . 80.1 Cg_exo -50.11 -42.69 45.48 Favored 'Trans proline' 0 N--CA 1.457 -0.63 0 C-N-CA 121.777 1.651 . . . . 0.0 111.146 178.164 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 93.2 m -66.46 -50.54 62.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.177 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 67.6 tp -52.03 -49.17 63.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.178 175.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 69.2 mtm180 -62.24 -44.92 95.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.215 -176.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -53.87 -51.66 62.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.246 177.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -57.74 -42.75 84.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.232 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 91.0 mt -68.93 -35.45 76.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.188 -176.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' MET . . . . . 0.4 ' HG3' HD12 ' B' ' 64' ' ' ILE . 66.4 mtt -60.44 -44.01 96.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.21 173.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -61.98 -41.33 97.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.233 178.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 52.5 t -60.08 -44.42 94.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.209 177.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 82.2 mt -74.34 -34.37 63.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.224 -176.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 41.4 t -55.37 -45.77 76.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.175 172.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -79.42 -29.38 41.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.203 -172.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 4.7 m-30 -79.8 -52.79 7.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.238 -176.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . 0.519 ' O ' HG12 ' B' ' 55' ' ' VAL . 87.4 t -90.28 -6.52 10.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.198 -173.594 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 55.9 t30 67.39 39.28 2.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.163 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 35.4 m -115.35 171.43 4.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.246 174.007 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 81.3 p -92.63 171.54 8.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.192 178.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 96.3 mt -62.18 -31.71 72.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.159 -178.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -72.06 -12.46 61.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.199 -176.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 57.3 m-80 -96.74 8.33 44.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.224 -179.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 34.9 mm -114.32 134.78 56.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.187 178.233 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 90.8 mmt-85 -125.09 123.22 39.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.2 173.041 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . 0.4 HD12 ' HG3' ' B' ' 48' ' ' MET . 60.2 mt -130.14 129.58 65.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.212 -179.182 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 44.4 t -148.28 140.79 24.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.224 -177.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -110.09 141.56 42.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.24 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -138.75 137.59 36.87 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.241 -177.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -95.19 126.25 40.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.161 178.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 70.3 tp60 -142.89 127.2 17.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.225 -176.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 72.8 m-20 61.46 23.1 13.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.187 -178.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . 93.11 -2.28 71.47 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 173.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 61.9 mtt -116.89 154.28 31.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.751 0.31 . . . . 0.0 111.176 -178.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -101.51 133.2 46.53 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.225 -176.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 88.2 t -127.05 130.41 71.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.166 175.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 40.2 tp -100.1 137.02 39.12 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.218 179.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 61.4 tt0 -123.79 131.53 53.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.181 -175.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.48 ' HB2' ' HB2' ' A' ' 77' ' ' LEU . 5.4 mp -122.17 140.11 52.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.152 177.248 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -130.62 131.75 45.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.185 176.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 5.0 mp -120.35 118.88 58.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.225 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 99.8 m -92.25 118.55 30.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.205 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 62.6 tp . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.232 174.765 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.791 0.329 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -114.09 125.2 53.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.146 -179.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.561 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 83.7 mt -64.17 -41.91 64.62 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 -171.62 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.561 ' CD ' ' N ' ' A' ' 40' ' ' LEU . 71.9 Cg_exo -50.48 -46.53 28.95 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 121.691 1.594 . . . . 0.0 111.222 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 94.1 m -70.72 -41.98 71.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.18 178.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 95.9 mt -61.78 -32.65 72.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.209 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 71.8 mtp180 -65.51 -45.29 84.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.211 177.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -60.36 -46.33 90.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.203 174.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . . . -59.36 -41.27 88.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.214 179.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 44.1 tp -64.02 -42.25 97.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.179 -179.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 97.8 mtp -57.3 -45.64 83.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.233 175.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -61.12 -42.53 98.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.222 -179.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 52.7 t -59.2 -41.89 85.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.219 177.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 44.3 tp -68.75 -42.06 78.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.253 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 80.3 p -62.78 -26.67 68.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -78.77 -33.85 46.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.209 176.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 9.3 m-30 -62.72 -42.21 99.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.189 -178.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.413 HG23 HG22 ' A' ' 57' ' ' VAL . 27.5 m -113.44 6.4 7.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.187 -178.333 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 58.99 42.49 19.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.237 169.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.413 HG22 HG23 ' A' ' 55' ' ' VAL . 25.9 m -110.42 -168.4 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.193 174.389 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 28.9 t -105.17 161.46 14.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.257 178.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 95.7 mt -67.92 -14.93 63.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.211 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -67.83 -21.15 65.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.203 179.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -97.7 8.31 44.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.166 -178.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 79.1 mt -124.07 136.45 60.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.173 -176.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 90.8 mmt-85 -129.81 142.27 50.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.221 176.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.423 ' HA ' ' O ' ' A' ' 76' ' ' GLU . 19.2 tt -143.68 137.38 24.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.249 177.065 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 45.8 t -142.31 148.88 38.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.279 -173.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -112.1 132.61 54.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.202 175.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -140.69 139.54 34.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.243 -178.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -92.7 125.45 37.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.18 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 70.3 tp60 -142.36 123.65 14.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.206 -177.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 61.09 28.64 18.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.227 179.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 95.13 -15.89 62.44 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 175.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 90.2 mmm -102.33 152.02 21.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.814 0.34 . . . . 0.0 111.186 -174.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -100.54 119.13 38.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.133 178.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 86.6 t -115.72 129.5 71.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.207 -174.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 81.9 mt -93.79 140.27 29.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.227 173.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.423 ' O ' ' HA ' ' A' ' 64' ' ' ILE . 68.8 tt0 -127.0 118.19 23.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.224 178.496 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.454 ' HB3' ' HB3' ' B' ' 77' ' ' LEU . 53.0 tp -114.65 124.86 52.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.16 -178.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -125.72 143.47 51.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.239 -176.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 20.2 tt -142.26 136.42 28.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.147 174.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 97.4 m -97.32 116.85 30.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.206 178.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 78.1 mt . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.204 -178.394 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.791 0.329 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -114.09 125.2 53.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.146 -179.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.565 ' N ' ' CD ' ' B' ' 41' ' ' PRO . 83.7 mt -64.17 -41.91 64.62 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 -171.62 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' PRO . . . . . 0.565 ' CD ' ' N ' ' B' ' 40' ' ' LEU . 71.9 Cg_exo -50.48 -46.53 28.95 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 121.691 1.594 . . . . 0.0 111.222 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 94.1 m -70.72 -41.98 71.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.18 178.198 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 95.9 mt -61.78 -32.65 72.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.209 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 71.8 mtp180 -65.51 -45.29 84.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.211 177.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -60.36 -46.33 90.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.203 174.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -59.36 -41.27 88.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.214 179.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 44.1 tp -64.02 -42.25 97.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.179 -179.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 97.8 mtp -57.3 -45.64 83.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.233 175.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -61.12 -42.53 98.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.222 -179.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 52.7 t -59.2 -41.89 85.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.219 177.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 44.3 tp -68.75 -42.06 78.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.253 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 80.3 p -62.78 -26.67 68.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 179.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -78.77 -33.85 46.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.209 176.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 9.3 m-30 -62.72 -42.21 99.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.189 -178.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . 0.424 HG23 HG22 ' B' ' 57' ' ' VAL . 27.5 m -113.44 6.4 7.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.187 -178.333 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 58.99 42.49 19.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.237 169.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.424 HG22 HG23 ' B' ' 55' ' ' VAL . 25.9 m -110.42 -168.4 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.193 174.389 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 28.9 t -105.17 161.46 14.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.257 178.326 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 95.7 mt -67.92 -14.93 63.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.211 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -67.83 -21.15 65.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.203 179.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -97.7 8.31 44.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.166 -178.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 79.1 mt -124.07 136.45 60.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.173 -176.109 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 90.8 mmt-85 -129.81 142.27 50.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.221 176.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . 0.426 ' HA ' ' O ' ' B' ' 76' ' ' GLU . 19.2 tt -143.68 137.38 24.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.249 177.065 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 45.8 t -142.31 148.88 38.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.279 -173.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -112.1 132.61 54.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.202 175.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -140.69 139.54 34.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.243 -178.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -92.7 125.45 37.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.18 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 70.3 tp60 -142.36 123.65 14.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.206 -177.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 61.09 28.64 18.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.227 179.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . 95.13 -15.89 62.44 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 175.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 90.2 mmm -102.33 152.02 21.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.814 0.34 . . . . 0.0 111.186 -174.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -100.54 119.13 38.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.133 178.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 86.6 t -115.72 129.5 71.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.207 -174.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 81.9 mt -93.79 140.27 29.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.227 173.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . 0.426 ' O ' ' HA ' ' B' ' 64' ' ' ILE . 68.8 tt0 -127.0 118.19 23.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.224 178.496 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.454 ' HB3' ' HB3' ' A' ' 77' ' ' LEU . 53.0 tp -114.65 124.86 52.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.16 -178.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -125.72 143.47 51.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.239 -176.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 20.2 tt -142.26 136.42 28.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.147 174.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 97.4 m -97.32 116.85 30.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.206 178.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 78.1 mt . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.204 -178.394 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.8 0.333 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -99.81 18.24 18.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.255 176.272 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.571 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 54.2 tp -71.22 -42.03 11.27 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.221 175.528 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.571 ' CD ' ' N ' ' A' ' 40' ' ' LEU . 85.0 Cg_exo -52.78 -35.24 68.63 Favored 'Trans proline' 0 N--CA 1.459 -0.548 0 C-N-CA 121.691 1.594 . . . . 0.0 111.18 177.041 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 60.4 p -75.63 -33.91 60.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.225 -177.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 89.5 mt -64.61 -40.32 95.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.212 169.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 77.7 mtp180 -64.93 -40.19 94.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.2 178.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -65.69 -40.53 92.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.243 175.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . . . -61.72 -37.5 84.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.16 177.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 77.6 mt -64.75 -44.66 89.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.178 176.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 98.9 mtp -58.65 -39.85 81.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.196 176.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -56.28 -56.44 21.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.143 178.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 28.6 m -70.29 -25.76 27.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.179 -172.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.2 mp -69.86 -39.91 76.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.2 173.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 82.7 p -65.66 -29.96 70.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.175 178.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -79.12 -35.88 41.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.176 -173.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -80.26 -39.93 27.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.163 -175.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.531 ' O ' HG12 ' A' ' 55' ' ' VAL . 66.0 t -96.78 -4.85 9.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.199 -176.389 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 64.04 34.23 11.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.187 175.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.47 HG13 HG12 ' A' ' 55' ' ' VAL . 29.2 m -105.08 175.24 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.209 173.437 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 79.0 p -98.82 168.22 10.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.169 176.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 95.3 mt -64.13 -27.24 68.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.23 -179.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -69.97 -17.31 63.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.159 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 63.0 m-80 -99.79 9.23 43.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.172 -179.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 85.4 mt -119.84 136.05 58.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.24 -178.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 90.1 mmt-85 -123.1 148.32 45.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.169 174.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 19.4 tt -152.88 130.3 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.199 -178.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.2 t -159.87 145.11 15.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.264 -178.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -106.14 140.34 39.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.228 178.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -136.23 141.23 43.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.205 -176.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -97.63 121.11 39.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.226 179.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 69.5 tp60 -138.86 125.49 20.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.198 -178.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 61.23 27.53 17.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.184 -179.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 92.68 -15.76 61.78 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 176.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 95.3 mtp -101.72 148.28 25.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.773 0.32 . . . . 0.0 111.196 -173.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -100.43 127.8 46.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.228 -179.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 96.3 t -123.6 124.48 69.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.203 177.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 55.1 tp -92.34 128.48 38.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.224 174.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 58.7 tt0 -118.42 132.2 56.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.176 -174.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.42 ' HB2' ' HB2' ' B' ' 77' ' ' LEU . 4.4 mp -121.92 141.86 50.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.221 175.592 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -133.05 135.03 45.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.241 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 88.2 mt -118.0 117.22 54.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.181 172.013 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 97.4 m -92.8 118.44 31.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.251 -176.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 81.7 mt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.225 176.49 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.8 0.333 . . . . 0.0 111.191 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -99.81 18.24 18.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.255 176.272 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.576 ' N ' ' CD ' ' B' ' 41' ' ' PRO . 54.2 tp -71.22 -42.03 11.27 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.221 175.528 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' PRO . . . . . 0.576 ' CD ' ' N ' ' B' ' 40' ' ' LEU . 85.0 Cg_exo -52.78 -35.24 68.63 Favored 'Trans proline' 0 N--CA 1.459 -0.548 0 C-N-CA 121.691 1.594 . . . . 0.0 111.18 177.041 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 60.4 p -75.63 -33.91 60.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.225 -177.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 89.5 mt -64.61 -40.32 95.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.212 169.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 77.7 mtp180 -64.93 -40.19 94.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.2 178.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -65.69 -40.53 92.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.243 175.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -61.72 -37.5 84.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.16 177.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 77.6 mt -64.75 -44.66 89.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.178 176.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 98.9 mtp -58.65 -39.85 81.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.196 176.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -56.28 -56.44 21.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.143 178.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 28.6 m -70.29 -25.76 27.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.179 -172.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 6.2 mp -69.86 -39.91 76.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.2 173.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 82.7 p -65.66 -29.96 70.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.175 178.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -79.12 -35.88 41.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.176 -173.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -80.26 -39.93 27.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.163 -175.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . 0.526 ' O ' HG12 ' B' ' 55' ' ' VAL . 66.0 t -96.78 -4.85 9.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.199 -176.389 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 64.04 34.23 11.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.187 175.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.471 HG13 HG12 ' B' ' 55' ' ' VAL . 29.2 m -105.08 175.24 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.209 173.437 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 79.0 p -98.82 168.22 10.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.169 176.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 95.3 mt -64.13 -27.24 68.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.23 -179.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -69.97 -17.31 63.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.159 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 63.0 m-80 -99.79 9.23 43.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.172 -179.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 85.4 mt -119.84 136.05 58.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.24 -178.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 90.1 mmt-85 -123.1 148.32 45.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.169 174.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 19.4 tt -152.88 130.3 2.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.199 -178.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 48.2 t -159.87 145.11 15.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.264 -178.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -106.14 140.34 39.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.228 178.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 87.4 tt0 -136.23 141.23 43.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.205 -176.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -97.63 121.11 39.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.226 179.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 69.5 tp60 -138.86 125.49 20.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.198 -178.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 61.23 27.53 17.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.184 -179.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . 92.68 -15.76 61.78 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 176.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 95.3 mtp -101.72 148.28 25.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.773 0.32 . . . . 0.0 111.196 -173.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -100.43 127.8 46.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.228 -179.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 96.3 t -123.6 124.48 69.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.203 177.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 55.1 tp -92.34 128.48 38.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.224 174.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 58.7 tt0 -118.42 132.2 56.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.176 -174.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.42 ' HB2' ' HB2' ' A' ' 77' ' ' LEU . 4.4 mp -121.92 141.86 50.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.221 175.592 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 71.5 m-80 -133.05 135.03 45.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.241 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 88.2 mt -118.0 117.22 54.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.181 172.013 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 97.4 m -92.8 118.44 31.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.251 -176.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 81.7 mt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.225 176.49 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.796 0.331 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -89.67 -43.37 10.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.228 -177.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.606 ' HB3' ' HD3' ' A' ' 41' ' ' PRO . 60.8 tp -57.41 -45.63 99.87 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.225 -176.056 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.606 ' HD3' ' HB3' ' A' ' 40' ' ' LEU . 70.0 Cg_exo -48.3 -39.42 35.14 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 121.669 1.58 . . . . 0.0 111.205 177.146 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 97.3 m -70.62 -41.33 72.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.218 176.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 87.5 mt -59.25 -33.63 71.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.192 177.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -65.01 -47.63 76.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.195 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.02 -37.68 88.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.199 175.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . . . -59.5 -40.74 88.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.147 175.134 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 79.0 mt -67.53 -36.3 80.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.222 178.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 68.0 mtt -56.97 -48.63 77.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.169 173.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 61.9 tt0 -54.04 -47.97 71.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.192 174.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 52.8 t -59.81 -41.89 87.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.194 -176.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 85.7 mt -73.56 -36.96 65.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.21 -176.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 82.6 p -67.07 -22.16 65.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.219 178.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -92.29 -31.38 15.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.19 177.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 7.3 m-30 -77.58 -60.36 2.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.164 -178.34 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.61 ' O ' HG12 ' A' ' 55' ' ' VAL . 84.4 t -95.94 0.17 10.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.215 -173.604 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 47.1 t30 64.05 28.9 14.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.173 175.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 32.9 m -90.69 168.65 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.17 174.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 77.9 p -102.48 174.01 6.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.194 176.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 96.4 mt -60.86 -33.54 73.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.103 -179.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -67.88 -17.1 64.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.164 -179.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 64.1 m-80 -103.53 10.77 36.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.194 -177.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 84.0 mt -121.18 126.46 75.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.225 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 89.8 mmt-85 -123.2 126.19 46.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.158 175.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 71.3 mt -124.47 128.21 73.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.215 178.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 17.5 t -139.55 -167.05 2.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.207 -176.275 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -167.43 136.78 2.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.246 -176.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 27.2 pt-20 -142.36 156.7 45.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.195 178.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -93.32 115.27 27.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.23 -179.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -109.56 105.5 14.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.166 176.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 62.02 -131.82 0.61 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.235 -169.148 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -92.65 10.07 74.67 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -179.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 56.1 mtt -118.72 157.59 27.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.877 0.37 . . . . 0.0 111.154 178.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -109.22 142.19 40.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.198 174.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 90.6 t -123.96 122.54 64.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.176 -178.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.43 ' HB2' ' HB ' ' B' ' 79' ' ' ILE . 84.8 mt -77.66 147.61 35.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.229 170.071 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 58.8 tt0 -133.69 129.22 36.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.215 -179.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.425 ' HB2' ' HB2' ' B' ' 77' ' ' LEU . 5.2 mp -121.32 137.18 54.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.207 174.671 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -126.05 129.49 49.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.21 177.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.41 ' HB ' ' HB2' ' B' ' 75' ' ' LEU . 5.0 mp -121.26 115.56 47.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.171 -179.454 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 98.5 m -90.17 119.82 30.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.208 -175.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 59.4 tp . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.256 173.545 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 76.6 m-20 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.796 0.331 . . . . 0.0 111.208 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 46.7 t80 -89.67 -43.37 10.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.228 -177.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.611 ' HB3' ' HD3' ' B' ' 41' ' ' PRO . 60.8 tp -57.41 -45.63 99.87 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.225 -176.056 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' PRO . . . . . 0.611 ' HD3' ' HB3' ' B' ' 40' ' ' LEU . 70.0 Cg_exo -48.3 -39.42 35.14 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 121.669 1.58 . . . . 0.0 111.205 177.146 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 97.3 m -70.62 -41.33 72.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.218 176.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 87.5 mt -59.25 -33.63 71.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.192 177.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -65.01 -47.63 76.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.195 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.02 -37.68 88.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.199 175.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -59.5 -40.74 88.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.147 175.134 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 79.0 mt -67.53 -36.3 80.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.222 178.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 68.0 mtt -56.97 -48.63 77.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.169 173.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 61.9 tt0 -54.04 -47.97 71.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.192 174.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 52.8 t -59.81 -41.89 87.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.194 -176.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 85.7 mt -73.56 -36.96 65.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.21 -176.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 82.6 p -67.07 -22.16 65.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.219 178.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -92.29 -31.38 15.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.19 177.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 7.3 m-30 -77.58 -60.36 2.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.164 -178.34 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . 0.598 ' O ' HG12 ' B' ' 55' ' ' VAL . 84.4 t -95.94 0.17 10.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.215 -173.604 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 47.1 t30 64.05 28.9 14.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.173 175.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 32.9 m -90.69 168.65 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.17 174.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 77.9 p -102.48 174.01 6.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.194 176.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 96.4 mt -60.86 -33.54 73.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.103 -179.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -67.88 -17.1 64.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.164 -179.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 64.1 m-80 -103.53 10.77 36.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.194 -177.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 84.0 mt -121.18 126.46 75.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.225 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 89.8 mmt-85 -123.2 126.19 46.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.158 175.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 71.3 mt -124.47 128.21 73.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.215 178.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 17.5 t -139.55 -167.05 2.18 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.207 -176.275 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -167.43 136.78 2.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.246 -176.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 27.2 pt-20 -142.36 156.7 45.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.195 178.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -93.32 115.27 27.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.23 -179.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -109.56 105.5 14.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.166 176.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 62.02 -131.82 0.61 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.235 -169.148 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -92.65 10.07 74.67 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 -179.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 56.1 mtt -118.72 157.59 27.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.877 0.37 . . . . 0.0 111.154 178.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -109.22 142.19 40.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.198 174.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 90.6 t -123.96 122.54 64.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.176 -178.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.41 ' HB2' ' HB ' ' A' ' 79' ' ' ILE . 84.8 mt -77.66 147.61 35.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.229 170.071 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 58.8 tt0 -133.69 129.22 36.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.215 -179.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.425 ' HB2' ' HB2' ' A' ' 77' ' ' LEU . 5.2 mp -121.32 137.18 54.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.207 174.671 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 70.7 m-80 -126.05 129.49 49.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.21 177.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . 0.43 ' HB ' ' HB2' ' A' ' 75' ' ' LEU . 5.0 mp -121.26 115.56 47.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.171 -179.454 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 98.5 m -90.17 119.82 30.81 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.208 -175.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 59.4 tp . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.256 173.545 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.821 0.343 . . . . 0.0 111.234 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -82.17 -32.61 29.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.163 -178.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.56 ' HB3' ' HD3' ' A' ' 41' ' ' PRO . 56.7 tp -63.44 -44.27 81.48 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.235 -167.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.56 ' HD3' ' HB3' ' A' ' 40' ' ' LEU . 79.1 Cg_exo -50.05 -40.43 50.21 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 121.775 1.65 . . . . 0.0 111.201 178.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 98.8 m -69.97 -43.11 72.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.208 177.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 94.2 mt -59.15 -37.74 78.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.215 177.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 77.1 mtp180 -64.96 -45.83 84.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.215 -179.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.89 -42.0 97.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.293 176.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . . . -57.94 -47.53 82.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.203 177.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 89.3 mt -64.29 -36.69 84.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.263 -179.285 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 58.1 ttm -59.69 -46.82 87.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.175 176.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -56.27 -48.37 76.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.204 173.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 50.7 t -57.45 -41.66 79.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.21 -178.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 81.4 mt -64.24 -46.37 84.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.161 179.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 87.3 p -63.76 -26.19 68.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.231 -174.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -98.42 -41.62 7.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.201 -174.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 7.2 m-30 -81.38 -58.33 3.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.222 -178.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.428 ' O ' ' HB2' ' A' ' 56' ' ' ASN . 74.2 t -67.39 -20.09 26.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.164 -174.724 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.428 ' HB2' ' O ' ' A' ' 55' ' ' VAL . 74.8 m-80 66.21 82.87 0.18 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.221 -172.687 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.2 p -163.37 152.96 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.252 -169.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 29.2 t -85.9 149.95 24.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.187 -178.19 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 96.1 mt -58.94 -33.86 71.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.267 179.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -62.54 -23.03 66.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.206 179.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -98.6 10.82 40.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.237 -176.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 90.9 mt -113.37 127.59 70.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.202 179.14 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 90.4 mmt-85 -123.76 120.73 33.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.192 173.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 77.9 mt -122.48 123.47 68.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.236 177.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 17.3 t -139.84 -166.93 2.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.206 -173.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -156.8 134.3 10.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.23 -175.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.8 pt-20 -129.85 160.24 34.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.199 177.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -91.09 126.04 36.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.152 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.436 ' O ' ' HB2' ' A' ' 70' ' ' ASP . 65.6 tp60 -128.25 109.47 11.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.241 173.74 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.436 ' HB2' ' O ' ' A' ' 69' ' ' GLN . 43.9 m-20 69.19 -126.75 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.178 -176.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -100.98 18.97 53.96 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 178.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 21.6 ptp -141.94 173.17 11.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.822 0.344 . . . . 0.0 111.212 178.313 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -110.21 160.43 16.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.174 178.183 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 90.6 t -125.51 132.74 70.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.158 179.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 57.1 tp -88.6 128.34 35.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.149 178.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 71.2 tt0 -123.98 126.21 45.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.19 -172.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.425 ' HB2' ' HB2' ' B' ' 77' ' ' LEU . 5.3 mp -120.91 129.45 53.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.184 177.048 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 75.5 m-80 -124.44 119.38 29.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.178 179.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 5.2 mp -117.7 116.94 53.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.225 -177.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 94.3 m -78.55 121.09 24.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.156 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 71.4 mt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.159 -176.453 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.821 0.343 . . . . 0.0 111.234 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -82.17 -32.61 29.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.163 -178.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.584 ' HB3' ' HD3' ' B' ' 41' ' ' PRO . 56.7 tp -63.44 -44.27 81.48 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.235 -167.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' PRO . . . . . 0.584 ' HD3' ' HB3' ' B' ' 40' ' ' LEU . 79.1 Cg_exo -50.05 -40.43 50.21 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 121.775 1.65 . . . . 0.0 111.201 178.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 98.8 m -69.97 -43.11 72.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.208 177.331 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 94.2 mt -59.15 -37.74 78.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.215 177.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 77.1 mtp180 -64.96 -45.83 84.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.215 -179.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -63.89 -42.0 97.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.293 176.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -57.94 -47.53 82.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.203 177.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 89.3 mt -64.29 -36.69 84.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.263 -179.285 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 58.1 ttm -59.69 -46.82 87.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.175 176.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -56.27 -48.37 76.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.204 173.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 50.7 t -57.45 -41.66 79.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.21 -178.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 81.4 mt -64.24 -46.37 84.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.161 179.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 87.3 p -63.76 -26.19 68.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.231 -174.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -98.42 -41.62 7.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.201 -174.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 7.2 m-30 -81.38 -58.33 3.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.222 -178.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . 0.425 ' O ' ' HB2' ' B' ' 56' ' ' ASN . 74.2 t -67.39 -20.09 26.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.164 -174.724 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' ASN . . . . . 0.425 ' HB2' ' O ' ' B' ' 55' ' ' VAL . 74.8 m-80 66.21 82.87 0.18 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.221 -172.687 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 12.2 p -163.37 152.96 2.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.252 -169.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 29.2 t -85.9 149.95 24.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.187 -178.19 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 96.1 mt -58.94 -33.86 71.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.267 179.516 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -62.54 -23.03 66.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.206 179.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 94.0 m-20 -98.6 10.82 40.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.237 -176.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 90.9 mt -113.37 127.59 70.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.202 179.14 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 90.4 mmt-85 -123.76 120.73 33.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.192 173.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 77.9 mt -122.48 123.47 68.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.236 177.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 17.3 t -139.84 -166.93 2.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.206 -173.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 59.4 tt0 -156.8 134.3 10.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.23 -175.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 24.8 pt-20 -129.85 160.24 34.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.199 177.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -91.09 126.04 36.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.152 -179.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' GLN . . . . . 0.44 ' O ' ' HB2' ' B' ' 70' ' ' ASP . 65.6 tp60 -128.25 109.47 11.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.241 173.74 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.44 ' HB2' ' O ' ' B' ' 69' ' ' GLN . 43.9 m-20 69.19 -126.75 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.178 -176.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -100.98 18.97 53.96 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 178.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 21.6 ptp -141.94 173.17 11.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.822 0.344 . . . . 0.0 111.212 178.313 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -110.21 160.43 16.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.174 178.183 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 90.6 t -125.51 132.74 70.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.158 179.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 57.1 tp -88.6 128.34 35.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.149 178.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 71.2 tt0 -123.98 126.21 45.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.19 -172.09 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.425 ' HB2' ' HB2' ' A' ' 77' ' ' LEU . 5.3 mp -120.91 129.45 53.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.184 177.048 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 75.5 m-80 -124.44 119.38 29.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.178 179.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 5.2 mp -117.7 116.94 53.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.225 -177.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 94.3 m -78.55 121.09 24.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.156 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 71.4 mt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.159 -176.453 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.74 0.305 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -73.28 -50.15 23.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.213 -179.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.59 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 86.7 mt -63.47 -40.08 55.14 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.184 -161.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.59 ' CD ' ' N ' ' A' ' 40' ' ' LEU . 75.5 Cg_exo -51.05 -33.5 43.28 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 121.73 1.62 . . . . 0.0 111.19 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 71.7 p -91.29 -30.07 16.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.232 -179.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 66.9 tp -54.52 -41.36 69.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.16 170.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 75.5 mtp180 -58.05 -49.97 75.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.224 -176.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.58 -40.12 95.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.178 179.116 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . . . -58.34 -47.58 83.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.217 177.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 94.1 mt -60.8 -35.99 77.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.237 179.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 98.8 mtp -61.97 -48.15 81.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.214 175.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -55.54 -45.9 77.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.188 175.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 55.9 t -53.6 -49.28 56.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.173 179.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 92.6 mt -63.2 -36.75 84.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.214 -176.186 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 60.1 p -65.52 -15.89 63.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.194 -176.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -94.35 -37.65 11.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.216 177.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -75.9 -59.85 2.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.221 -177.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 34.5 m -103.36 8.29 9.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.207 -171.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 54.75 23.21 4.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.194 172.031 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 74.7 t -85.56 148.77 4.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.161 170.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 28.8 t -94.27 153.11 18.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.186 -166.383 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 95.7 mt -57.6 -28.34 63.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.222 -179.258 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -73.87 -25.93 60.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.248 175.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -103.16 7.92 38.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.174 -176.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 96.7 mt -104.84 136.24 39.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.201 174.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 89.9 mmt-85 -121.42 143.82 49.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.208 173.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 19.6 tt -152.88 128.78 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.242 -178.291 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.0 t -141.52 129.27 21.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.226 -175.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -84.26 119.15 24.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.194 177.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -115.92 179.82 3.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.214 -178.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -127.9 133.83 49.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.219 178.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 69.8 tp60 -140.63 121.21 14.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.192 171.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 60.14 -134.0 0.79 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.218 -171.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -98.05 16.91 59.49 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.141 -0.783 . . . . 0.0 111.141 -178.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 72.9 mtm -128.51 161.93 28.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.758 0.314 . . . . 0.0 111.234 175.175 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -92.84 146.65 23.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.261 174.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 74.7 t -118.63 107.45 21.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.214 175.246 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 62.1 tp -87.26 121.26 29.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.267 179.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -106.75 129.01 54.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.188 -172.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.5 mp -119.81 131.77 55.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.184 177.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -117.43 120.81 39.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.212 -178.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 83.0 mt -107.58 127.36 63.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.154 -176.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 97.1 m -78.42 112.3 15.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.208 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 62.1 mt . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.206 -178.269 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.74 0.305 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -73.28 -50.15 23.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.213 -179.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.59 ' N ' ' CD ' ' B' ' 41' ' ' PRO . 86.7 mt -63.47 -40.08 55.14 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.184 -161.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' PRO . . . . . 0.59 ' CD ' ' N ' ' B' ' 40' ' ' LEU . 75.5 Cg_exo -51.05 -33.5 43.28 Favored 'Trans proline' 0 N--CA 1.457 -0.632 0 C-N-CA 121.73 1.62 . . . . 0.0 111.19 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 71.7 p -91.29 -30.07 16.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.232 -179.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 66.9 tp -54.52 -41.36 69.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.16 170.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 75.5 mtp180 -58.05 -49.97 75.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.224 -176.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.58 -40.12 95.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.178 179.116 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -58.34 -47.58 83.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.217 177.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 94.1 mt -60.8 -35.99 77.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.237 179.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 98.8 mtp -61.97 -48.15 81.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.214 175.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -55.54 -45.9 77.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.188 175.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 55.9 t -53.6 -49.28 56.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.173 179.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 92.6 mt -63.2 -36.75 84.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.214 -176.186 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 60.1 p -65.52 -15.89 63.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.194 -176.501 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -94.35 -37.65 11.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.216 177.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -75.9 -59.85 2.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.221 -177.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 34.5 m -103.36 8.29 9.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.207 -171.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 54.75 23.21 4.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.194 172.031 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 74.7 t -85.56 148.77 4.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.161 170.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 28.8 t -94.27 153.11 18.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.186 -166.383 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 95.7 mt -57.6 -28.34 63.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.222 -179.258 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -73.87 -25.93 60.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.248 175.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -103.16 7.92 38.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.174 -176.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 96.7 mt -104.84 136.24 39.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.201 174.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 89.9 mmt-85 -121.42 143.82 49.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.208 173.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 19.6 tt -152.88 128.78 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.242 -178.291 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 48.0 t -141.52 129.27 21.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.226 -175.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -84.26 119.15 24.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.194 177.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -115.92 179.82 3.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.214 -178.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 62.1 mttm -127.9 133.83 49.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.219 178.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 69.8 tp60 -140.63 121.21 14.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.192 171.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 44.1 m-20 60.14 -134.0 0.79 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.218 -171.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -98.05 16.91 59.49 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.141 -0.783 . . . . 0.0 111.141 -178.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 72.9 mtm -128.51 161.93 28.41 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.758 0.314 . . . . 0.0 111.234 175.175 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -92.84 146.65 23.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.261 174.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 74.7 t -118.63 107.45 21.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.214 175.246 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 62.1 tp -87.26 121.26 29.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.267 179.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -106.75 129.01 54.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.188 -172.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 5.5 mp -119.81 131.77 55.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.184 177.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -117.43 120.81 39.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.212 -178.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 83.0 mt -107.58 127.36 63.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.154 -176.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 97.1 m -78.42 112.3 15.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.208 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 62.1 mt . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.206 -178.269 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.743 0.306 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -114.52 139.39 49.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.159 177.365 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.578 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 96.9 mt -74.69 -40.67 4.17 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.192 -174.076 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.578 ' CD ' ' N ' ' A' ' 40' ' ' LEU . 87.0 Cg_exo -50.56 -41.08 54.17 Favored 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 121.73 1.62 . . . . 0.0 111.174 177.588 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 99.1 m -69.19 -46.11 68.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.228 177.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 58.7 tp -50.52 -47.53 57.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.245 173.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -61.32 -45.84 92.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.259 -175.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -61.25 -42.51 98.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.177 178.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . . . -59.45 -42.29 91.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.166 177.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 92.9 mt -66.44 -39.25 88.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.192 -179.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 65.0 ttp -58.96 -48.96 79.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.208 175.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -51.91 -48.92 63.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.254 176.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.401 HG11 HG11 ' B' ' 50' ' ' VAL . 47.6 t -56.89 -44.67 82.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.257 -177.054 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 96.8 mt -73.14 -36.97 66.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.217 -174.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 40.5 t -61.06 -38.12 85.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.172 176.178 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -86.95 -30.77 21.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.173 -174.032 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 5.5 m-30 -76.39 -59.2 2.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.219 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.6 ' O ' HG12 ' A' ' 55' ' ' VAL . 59.0 t -88.56 0.69 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 -172.027 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 22.4 t30 66.85 21.62 10.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.231 176.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.408 HG13 HG12 ' A' ' 55' ' ' VAL . 35.3 m -94.77 174.36 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.204 175.251 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 51.5 p -108.47 -179.97 4.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.216 173.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.7 pp -63.99 -21.71 66.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.191 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -68.44 -23.96 64.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.225 -179.594 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -103.48 11.12 36.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.168 -177.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 88.0 mt -119.46 120.62 64.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.182 -177.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.443 ' HB3' ' HB2' ' A' ' 78' ' ' ASN . 46.4 ttp180 -111.45 135.33 52.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.219 175.325 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 79.7 mt -121.62 119.5 59.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.214 178.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 40.6 t -129.06 145.74 51.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.195 -175.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -134.61 126.98 30.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.204 176.229 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -132.5 137.44 47.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.212 -175.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -87.87 125.73 34.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.263 176.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -144.67 123.81 12.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.19 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 56.3 39.74 30.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.208 173.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 91.58 -9.02 78.08 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 168.426 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 91.5 mtp -122.97 163.1 21.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.742 0.305 . . . . 0.0 111.231 -177.191 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -103.4 141.31 36.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.171 177.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 95.0 t -118.67 119.63 61.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.174 175.018 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.414 ' HB2' ' HB ' ' B' ' 79' ' ' ILE . 81.4 mt -86.08 142.2 28.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.215 172.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -130.61 126.54 36.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.196 179.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 51.4 mt -114.6 126.08 54.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.222 173.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.443 ' HB2' ' HB3' ' A' ' 63' ' ' ARG . 33.9 m120 -117.93 126.77 52.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.203 -177.242 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.427 ' HB ' ' HB2' ' B' ' 75' ' ' LEU . 5.1 mp -118.03 118.1 57.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.204 -177.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 97.7 m -92.22 117.13 29.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.19 -179.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.1 pt? . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.161 175.849 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.743 0.306 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 -114.52 139.39 49.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.159 177.365 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.581 ' N ' ' CD ' ' B' ' 41' ' ' PRO . 96.9 mt -74.69 -40.67 4.17 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.192 -174.076 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' PRO . . . . . 0.581 ' CD ' ' N ' ' B' ' 40' ' ' LEU . 87.0 Cg_exo -50.56 -41.08 54.17 Favored 'Trans proline' 0 N--CA 1.459 -0.557 0 C-N-CA 121.73 1.62 . . . . 0.0 111.174 177.588 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 99.1 m -69.19 -46.11 68.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.228 177.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 58.7 tp -50.52 -47.53 57.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.245 173.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -61.32 -45.84 92.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.259 -175.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -61.25 -42.51 98.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.177 178.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -59.45 -42.29 91.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.166 177.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 92.9 mt -66.44 -39.25 88.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.192 -179.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 65.0 ttp -58.96 -48.96 79.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.208 175.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -51.91 -48.92 63.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.254 176.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' VAL . . . . . 0.401 HG11 HG11 ' A' ' 50' ' ' VAL . 47.6 t -56.89 -44.67 82.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.257 -177.054 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 96.8 mt -73.14 -36.97 66.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.217 -174.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 40.5 t -61.06 -38.12 85.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.172 176.178 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -86.95 -30.77 21.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.173 -174.032 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 5.5 m-30 -76.39 -59.2 2.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.219 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . 0.579 ' O ' HG12 ' B' ' 55' ' ' VAL . 59.0 t -88.56 0.69 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 -172.027 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 22.4 t30 66.85 21.62 10.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.231 176.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.428 HG13 HG12 ' B' ' 55' ' ' VAL . 35.3 m -94.77 174.36 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.204 175.251 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 51.5 p -108.47 -179.97 4.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.216 173.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 3.7 pp -63.99 -21.71 66.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.191 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -68.44 -23.96 64.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.225 -179.594 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 -103.48 11.12 36.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.168 -177.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 88.0 mt -119.46 120.62 64.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.182 -177.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . 0.449 ' HB3' ' HB2' ' B' ' 78' ' ' ASN . 46.4 ttp180 -111.45 135.33 52.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.219 175.325 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 79.7 mt -121.62 119.5 59.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.214 178.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 40.6 t -129.06 145.74 51.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.195 -175.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -134.61 126.98 30.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.204 176.229 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -132.5 137.44 47.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.212 -175.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -87.87 125.73 34.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.263 176.146 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 58.6 tt0 -144.67 123.81 12.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.19 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 77.3 m-20 56.3 39.74 30.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.208 173.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . 91.58 -9.02 78.08 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 168.426 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 91.5 mtp -122.97 163.1 21.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.742 0.305 . . . . 0.0 111.231 -177.191 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -103.4 141.31 36.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.171 177.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 95.0 t -118.67 119.63 61.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.174 175.018 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . 0.427 ' HB2' ' HB ' ' A' ' 79' ' ' ILE . 81.4 mt -86.08 142.2 28.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.215 172.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -130.61 126.54 36.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.196 179.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 51.4 mt -114.6 126.08 54.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.222 173.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 78' ' ' ASN . . . . . 0.449 ' HB2' ' HB3' ' B' ' 63' ' ' ARG . 33.9 m120 -117.93 126.77 52.98 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.203 -177.242 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . 0.414 ' HB ' ' HB2' ' A' ' 75' ' ' LEU . 5.1 mp -118.03 118.1 57.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.204 -177.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 97.7 m -92.22 117.13 29.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.19 -179.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 2.1 pt? . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.161 175.849 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.805 0.336 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -108.75 17.48 21.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.214 176.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.556 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 52.3 tp -66.65 -42.34 44.84 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.233 174.542 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.556 ' CD ' ' N ' ' A' ' 40' ' ' LEU . 86.9 Cg_exo -51.21 -41.95 55.9 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 121.699 1.599 . . . . 0.0 111.225 175.735 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 96.0 m -54.27 -49.51 69.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.189 174.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 92.0 mt -61.1 -39.75 91.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.227 178.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -58.88 -45.64 89.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.187 175.308 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -69.98 -31.68 69.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.216 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . . . -61.05 -42.87 99.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.215 174.5 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 89.8 mt -63.16 -37.88 88.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.189 175.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 87.5 mtp -61.47 -45.92 92.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.163 176.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -53.79 -44.98 70.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.157 173.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 52.8 t -59.09 -42.03 85.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.219 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 89.2 mt -65.79 -35.76 81.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.185 -177.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 65.4 p -66.96 -15.04 63.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.182 179.026 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 99.9 mttt -101.0 -34.97 9.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.204 177.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 10.9 m-30 -77.45 -64.99 1.02 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.203 179.114 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 27.4 m -107.43 3.94 9.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.275 -170.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 61.99 22.66 13.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.225 171.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 53.5 t -84.6 145.44 8.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.169 174.085 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 31.0 t -94.82 160.58 14.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.235 -167.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 94.6 mt -56.42 -40.3 74.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.22 -177.154 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -68.61 -18.14 64.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.199 -178.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -101.76 13.08 35.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.219 -175.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 77.5 mt -120.01 131.68 71.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.158 178.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 89.8 mmt-85 -119.79 129.4 54.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 175.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 78.5 mt -127.57 129.78 70.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.201 179.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 47.1 t -149.77 142.25 24.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.223 -179.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -105.38 135.37 46.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.226 -175.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -124.58 -175.42 3.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.216 177.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -128.91 132.41 47.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.186 179.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 67.9 tp60 -133.17 117.3 17.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.209 175.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 64.7 -128.94 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.207 -172.009 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -103.81 20.65 40.74 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 176.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 88.3 mtp -128.17 159.54 34.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.805 0.336 . . . . 0.0 111.202 178.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -98.44 144.69 27.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.188 178.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 72.4 t -124.48 112.04 30.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.232 176.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 59.6 tp -87.87 128.44 35.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.193 177.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -113.49 133.64 55.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.223 -173.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.7 mp -120.77 131.48 54.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.179 175.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -116.81 120.16 37.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.183 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 64.4 mt -109.61 107.78 23.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.183 -173.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 97.7 m -89.24 124.49 34.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.201 -175.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.0 pp . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.193 176.166 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.805 0.336 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -108.75 17.48 21.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.214 176.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.559 ' N ' ' CD ' ' B' ' 41' ' ' PRO . 52.3 tp -66.65 -42.34 44.84 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.233 174.542 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' PRO . . . . . 0.559 ' CD ' ' N ' ' B' ' 40' ' ' LEU . 86.9 Cg_exo -51.21 -41.95 55.9 Favored 'Trans proline' 0 N--CA 1.458 -0.601 0 C-N-CA 121.699 1.599 . . . . 0.0 111.225 175.735 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 96.0 m -54.27 -49.51 69.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.189 174.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 92.0 mt -61.1 -39.75 91.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.227 178.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -58.88 -45.64 89.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.187 175.308 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -69.98 -31.68 69.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.216 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -61.05 -42.87 99.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.215 174.5 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 89.8 mt -63.16 -37.88 88.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.189 175.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 87.5 mtp -61.47 -45.92 92.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.163 176.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -53.79 -44.98 70.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.157 173.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 52.8 t -59.09 -42.03 85.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.219 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 89.2 mt -65.79 -35.76 81.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.185 -177.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 65.4 p -66.96 -15.04 63.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.182 179.026 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 99.9 mttt -101.0 -34.97 9.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.204 177.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 10.9 m-30 -77.45 -64.99 1.02 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.203 179.114 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 27.4 m -107.43 3.94 9.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.275 -170.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 90.4 m-20 61.99 22.66 13.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.225 171.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . . . . . . . . . 53.5 t -84.6 145.44 8.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.169 174.085 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 31.0 t -94.82 160.58 14.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.235 -167.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 94.6 mt -56.42 -40.3 74.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.22 -177.154 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -68.61 -18.14 64.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.199 -178.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -101.76 13.08 35.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.219 -175.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 77.5 mt -120.01 131.68 71.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.158 178.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 89.8 mmt-85 -119.79 129.4 54.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 175.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 78.5 mt -127.57 129.78 70.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.201 179.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 47.1 t -149.77 142.25 24.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.223 -179.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -105.38 135.37 46.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.226 -175.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -124.58 -175.42 3.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.216 177.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -128.91 132.41 47.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.186 179.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 67.9 tp60 -133.17 117.3 17.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.209 175.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 64.7 -128.94 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.207 -172.009 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -103.81 20.65 40.74 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.207 -0.757 . . . . 0.0 111.207 176.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 88.3 mtp -128.17 159.54 34.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.805 0.336 . . . . 0.0 111.202 178.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -98.44 144.69 27.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.188 178.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 72.4 t -124.48 112.04 30.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.232 176.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 59.6 tp -87.87 128.44 35.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.193 177.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -113.49 133.64 55.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.223 -173.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 5.7 mp -120.77 131.48 54.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.179 175.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -116.81 120.16 37.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.183 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 64.4 mt -109.61 107.78 23.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.183 -173.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 97.7 m -89.24 124.49 34.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.201 -175.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 4.0 pp . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.193 176.166 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.788 0.328 . . . . 0.0 111.245 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 15.3 m-30 -74.72 -41.48 60.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.214 178.155 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.547 ' N ' ' CD ' ' A' ' 41' ' ' PRO . 72.3 mt -60.65 -43.07 91.14 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.253 -165.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . 0.547 ' CD ' ' N ' ' A' ' 40' ' ' LEU . 71.5 Cg_exo -50.4 -39.98 53.63 Favored 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 121.686 1.591 . . . . 0.0 111.172 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 67.5 p -80.52 -31.47 37.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.207 -176.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 94.3 mt -64.88 -34.98 79.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 171.275 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 77.5 mtp180 -65.13 -43.79 90.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.192 177.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -55.57 -48.59 74.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.169 171.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . . . -56.85 -41.04 77.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.218 178.23 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 77.1 mt -65.28 -37.13 86.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.218 -179.286 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 99.0 mtp -59.52 -46.28 89.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.224 173.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.26 -40.98 92.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.247 178.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 55.4 t -60.43 -43.66 94.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.178 177.142 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 78.7 mt -70.29 -36.03 74.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.203 -179.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 42.9 t -58.58 -38.23 77.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.224 176.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -80.32 -27.86 38.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.228 -177.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 10.3 m-30 -79.34 -58.75 3.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.215 -178.101 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.59 ' O ' HG12 ' A' ' 55' ' ' VAL . 77.9 t -88.24 -2.38 8.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.155 -171.124 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 22.9 m120 65.07 29.8 11.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.166 174.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.417 HG13 HG12 ' A' ' 55' ' ' VAL . 34.1 m -112.13 173.88 2.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.162 170.519 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 83.3 p -93.71 173.13 7.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.174 -176.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.12 -28.14 69.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.139 -179.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -70.28 -15.72 62.93 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.142 -178.26 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 58.1 m-80 -99.4 12.12 37.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.17 -178.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 74.3 mt -121.67 134.55 64.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.197 -177.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 90.5 mmt-85 -126.32 128.85 47.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.169 178.075 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 58.5 mt -129.0 131.52 68.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.183 174.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 45.3 t -115.03 129.54 56.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.196 -177.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -105.78 110.55 22.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.193 176.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 74.4 mt-10 -130.5 157.35 42.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.155 -172.043 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -100.88 114.77 28.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.162 179.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 69.3 tp60 -103.96 97.93 7.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.257 176.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 62.38 -126.29 0.69 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.191 -174.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -91.94 8.24 78.25 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -178.038 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 51.0 mtt -124.21 159.76 29.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.796 0.332 . . . . 0.0 111.191 177.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -106.15 138.88 41.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.185 174.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 91.0 t -125.44 131.23 72.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.197 -177.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 94.1 mt -97.11 135.05 39.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.202 174.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -120.1 130.06 54.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.217 174.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.521 ' HB2' ' HB2' ' B' ' 77' ' ' LEU . 5.5 mp -117.41 136.31 53.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.247 178.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 -130.07 132.84 46.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.205 176.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 19.0 tt -146.77 138.65 18.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.202 177.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 94.2 m -112.56 134.5 54.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.151 -171.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 65.4 tp . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.217 174.333 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.788 0.328 . . . . 0.0 111.245 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 15.3 m-30 -74.72 -41.48 60.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.214 178.155 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.538 ' N ' ' CD ' ' B' ' 41' ' ' PRO . 72.3 mt -60.65 -43.07 91.14 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.253 -165.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' PRO . . . . . 0.538 ' CD ' ' N ' ' B' ' 40' ' ' LEU . 71.5 Cg_exo -50.4 -39.98 53.63 Favored 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 121.686 1.591 . . . . 0.0 111.172 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' THR . . . . . . . . . . . . . 67.5 p -80.52 -31.47 37.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.207 -176.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 94.3 mt -64.88 -34.98 79.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.15 171.275 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 77.5 mtp180 -65.13 -43.79 90.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.192 177.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -55.57 -48.59 74.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.169 171.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . . . -56.85 -41.04 77.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.218 178.23 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 77.1 mt -65.28 -37.13 86.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.218 -179.286 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' MET . . . . . . . . . . . . . 99.0 mtp -59.52 -46.28 89.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.224 173.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.26 -40.98 92.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.247 178.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' VAL . . . . . . . . . . . . . 55.4 t -60.43 -43.66 94.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.178 177.142 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' LEU . . . . . . . . . . . . . 78.7 mt -70.29 -36.03 74.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.203 -179.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' SER . . . . . . . . . . . . . 42.9 t -58.58 -38.23 77.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.224 176.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -80.32 -27.86 38.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.228 -177.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' TYR . . . . . . . . . . . . . 10.3 m-30 -79.34 -58.75 3.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.215 -178.101 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . 0.594 ' O ' HG12 ' B' ' 55' ' ' VAL . 77.9 t -88.24 -2.38 8.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.155 -171.124 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' ASN . . . . . . . . . . . . . 22.9 m120 65.07 29.8 11.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.166 174.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' VAL . . . . . 0.408 HG13 HG12 ' B' ' 55' ' ' VAL . 34.1 m -112.13 173.88 2.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.162 170.519 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' SER . . . . . . . . . . . . . 83.3 p -93.71 173.13 7.84 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.174 -176.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 96.1 mt -63.12 -28.14 69.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.139 -179.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -70.28 -15.72 62.93 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.142 -178.26 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 58.1 m-80 -99.4 12.12 37.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.17 -178.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' ILE . . . . . . . . . . . . . 74.3 mt -121.67 134.55 64.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.197 -177.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' ARG . . . . . . . . . . . . . 90.5 mmt-85 -126.32 128.85 47.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.169 178.075 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' ILE . . . . . . . . . . . . . 58.5 mt -129.0 131.52 68.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.183 174.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 45.3 t -115.03 129.54 56.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.196 -177.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -105.78 110.55 22.88 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.193 176.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 74.4 mt-10 -130.5 157.35 42.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.155 -172.043 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -100.88 114.77 28.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.162 179.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' GLN . . . . . . . . . . . . . 69.3 tp60 -103.96 97.93 7.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.257 176.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 62.38 -126.29 0.69 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.191 -174.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' GLY . . . . . . . . . . . . . . . -91.94 8.24 78.25 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -178.038 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' MET . . . . . . . . . . . . . 51.0 mtt -124.21 159.76 29.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.796 0.332 . . . . 0.0 111.191 177.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -106.15 138.88 41.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.185 174.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' VAL . . . . . . . . . . . . . 91.0 t -125.44 131.23 72.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.197 -177.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' LEU . . . . . . . . . . . . . 94.1 mt -97.11 135.05 39.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.202 174.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -120.1 130.06 54.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.217 174.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.521 ' HB2' ' HB2' ' A' ' 77' ' ' LEU . 5.5 mp -117.41 136.31 53.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.247 178.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 78' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 -130.07 132.84 46.33 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.205 176.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 79' ' ' ILE . . . . . . . . . . . . . 19.0 tt -146.77 138.65 18.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.202 177.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 80' ' ' THR . . . . . . . . . . . . . 94.2 m -112.56 134.5 54.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.151 -171.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 65.4 tp . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.217 174.333 . . . . . . . . 0 0 . 1 stop_ save_