data_2l9v_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2l9v _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.798 0.332 . . . . 50.509999999999998 111.177 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -61.53 -38.67 88.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 50.509999999999998 111.23 178.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 72.5 tp60 -61.56 -44.29 97.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 50.549999999999997 111.251 176.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.34 -38.81 88.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 50.509999999999998 111.201 177.154 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 18.3 m-30 -61.44 -46.73 88.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 50.509999999999998 111.197 177.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -60.48 -39.93 89.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 50.509999999999998 111.191 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -60.2 -47.0 87.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 50.619999999999997 111.187 177.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.87 -35.08 79.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 50.509999999999998 111.171 177.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.453 ' HA ' HD12 ' A' ' 25' ' ' LEU . 0.1 OUTLIER -63.13 -37.63 87.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 50.509999999999998 111.2 178.055 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -66.31 -41.78 89.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 50.509999999999998 111.192 174.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -65.03 -29.42 70.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 50.619999999999997 111.192 177.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.516 ' HA ' ' HE2' ' A' ' 28' ' ' LYS . 10.5 mmpt? -95.01 8.55 42.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 50.509999999999998 111.204 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 46.6 52.31 11.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 50.640000000000001 111.22 178.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.409 HG23 ' HG3' ' A' ' 42' ' ' MET . 98.1 t -74.7 120.83 83.44 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 50.509999999999998 111.216 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -55.06 143.47 73.59 Favored 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 121.676 1.584 . . . . 50.509999999999998 111.22 -178.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 94.5 p -66.64 -17.02 64.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 50.509999999999998 111.176 178.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -94.94 -0.44 53.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 50.549999999999997 111.245 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -80.89 144.95 31.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 50.509999999999998 111.171 178.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 78.9 p -75.26 164.83 26.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 50.509999999999998 111.249 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 76.1 t-105 -57.15 -43.22 82.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 50.509999999999998 111.227 177.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -58.76 -48.07 82.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 50.619999999999997 111.161 178.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -63.86 -35.0 79.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 50.549999999999997 111.199 178.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.32 -40.21 95.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 50.509999999999998 111.185 177.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 36.4 mmt -70.89 -36.24 72.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 50.509999999999998 111.197 -179.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -54.37 -28.77 45.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.482 . . . . 50.509999999999998 111.167 178.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.409 ' HG3' HG23 ' A' ' 30' ' ' VAL . 99.6 mmm -71.05 -28.81 64.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 50.509999999999998 111.188 -177.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 47.3 pt -102.79 -9.33 9.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 50.509999999999998 111.156 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 92.1 mt -83.21 -43.87 18.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 50.509999999999998 111.229 174.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -74.85 -17.55 60.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 50.549999999999997 111.189 179.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.456 ' HA ' ' HD2' ' A' ' 47' ' ' PRO . 66.8 t0 -98.41 107.5 42.4 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 50.619999999999997 111.173 -179.784 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.456 ' HD2' ' HA ' ' A' ' 46' ' ' ASP . 53.2 Cg_exo -55.97 -25.58 54.25 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 121.668 1.579 . . . . 50.509999999999998 111.164 -176.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -61.96 -28.48 69.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 50.640000000000001 111.159 -177.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -114.91 22.17 13.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 50.509999999999998 111.245 -179.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 96.7 p -57.9 -28.26 64.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 50.509999999999998 111.168 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.15 -36.97 85.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.429 . . . . 50.509999999999998 111.228 176.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 97.8 mt -79.85 -30.75 40.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 50.509999999999998 111.227 178.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.33 -39.13 89.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 50.509999999999998 111.201 175.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.3 mttt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 50.509999999999998 111.17 175.796 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.792 0.33 . . . . 50.509999999999998 111.212 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -66.16 -39.32 89.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 50.509999999999998 111.19 179.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 71.6 tp60 -61.14 -44.27 97.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 50.549999999999997 111.19 176.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.17 -38.7 90.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.267 -0.424 . . . . 50.509999999999998 111.256 177.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -60.67 -46.61 89.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 50.509999999999998 111.192 177.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -63.11 -37.96 89.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 50.509999999999998 111.188 179.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -64.99 -42.48 94.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.245 -0.434 . . . . 50.619999999999997 111.246 177.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.97 -36.6 84.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 50.509999999999998 111.202 177.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.6 -43.95 85.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 50.509999999999998 111.237 175.372 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -63.73 -39.58 94.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 50.509999999999998 111.203 175.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 49.4 tp10 -64.0 -30.11 71.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 50.619999999999997 111.22 178.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.7 mmmt -96.46 5.29 51.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 50.509999999999998 111.174 -178.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 57.14 44.22 22.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 50.640000000000001 111.211 178.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 93.8 t -75.66 123.12 88.29 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 50.509999999999998 111.134 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -56.15 143.18 85.3 Favored 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 121.739 1.626 . . . . 50.509999999999998 111.197 -178.142 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 96.4 p -67.57 -16.36 64.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.307 -0.406 . . . . 50.509999999999998 111.209 179.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 73.5 m-80 -98.57 5.34 47.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 50.549999999999997 111.226 179.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.56 144.99 43.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 50.509999999999998 111.179 179.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 82.9 p -75.06 170.27 16.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 50.509999999999998 111.178 179.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 92.4 t90 -60.4 -44.58 95.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 50.509999999999998 111.178 176.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.89 -39.96 96.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 50.619999999999997 111.205 179.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -63.11 -51.02 68.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 50.549999999999997 111.167 178.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.63 -36.45 78.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 50.509999999999998 111.258 178.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 54.5 ttp -60.44 -53.43 57.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 50.509999999999998 111.111 177.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -60.6 -35.89 77.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 50.509999999999998 111.151 -177.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 92.6 mmm -59.44 -25.91 64.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.421 . . . . 50.509999999999998 111.194 178.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 47.1 mm -89.48 -41.4 13.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.462 . . . . 50.509999999999998 111.149 177.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 97.1 mt -57.14 -36.31 51.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 50.509999999999998 111.258 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -74.14 -9.97 59.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 50.549999999999997 111.254 -175.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.426 ' HA ' ' HD2' ' A' ' 47' ' ' PRO . 66.3 t0 -116.41 101.4 53.75 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 50.619999999999997 111.246 -178.622 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' ' 46' ' ' ASP . 77.5 Cg_exo -55.08 -25.07 43.42 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 121.683 1.589 . . . . 50.509999999999998 111.137 -177.086 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 -48.4 -38.24 19.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.287 -0.415 . . . . 50.640000000000001 111.21 179.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -115.33 39.54 2.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 50.509999999999998 111.225 -177.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 93.5 p -55.58 -28.5 55.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 50.509999999999998 111.191 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.68 -39.8 94.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 50.509999999999998 111.209 177.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 84.8 mt -74.89 -31.73 61.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 50.509999999999998 111.235 177.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.27 -38.16 85.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 50.509999999999998 111.249 173.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.7 mttt . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 50.509999999999998 111.184 175.997 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.768 0.318 . . . . 50.509999999999998 111.157 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -64.27 -45.95 85.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 50.509999999999998 111.244 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -67.73 -45.57 74.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 50.549999999999997 111.202 -179.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.46 -33.29 75.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 50.509999999999998 111.186 178.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -64.0 -48.82 74.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 50.509999999999998 111.218 177.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -60.63 -38.62 85.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.283 -0.417 . . . . 50.509999999999998 111.106 178.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -66.9 -42.61 85.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 50.619999999999997 111.164 177.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.14 -35.01 79.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 50.509999999999998 111.173 178.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.432 HD12 ' HA ' ' A' ' 25' ' ' LEU . 0.5 OUTLIER -55.32 -44.04 75.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 50.509999999999998 111.157 175.719 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -66.31 -40.48 89.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 50.509999999999998 111.256 176.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -64.96 -25.25 67.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 50.619999999999997 111.247 178.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.415 ' HA ' ' HD2' ' A' ' 28' ' ' LYS . 26.3 mmmt -99.91 7.45 44.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 50.509999999999998 111.202 -178.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 55.21 39.92 31.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 50.640000000000001 111.19 178.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 98.9 t -69.91 122.8 87.19 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 50.509999999999998 111.249 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -55.02 140.64 80.01 Favored 'Trans proline' 0 N--CA 1.457 -0.63 0 C-N-CA 121.783 1.655 . . . . 50.509999999999998 111.144 -178.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 95.9 p -67.34 -17.52 64.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 50.509999999999998 111.134 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -95.79 3.12 54.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.257 -0.429 . . . . 50.549999999999997 111.183 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.77 143.81 43.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 50.509999999999998 111.149 179.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 80.1 p -73.36 173.22 9.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 50.509999999999998 111.187 179.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 92.1 t90 -60.74 -45.23 95.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 50.509999999999998 111.241 176.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -64.47 -41.16 96.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.176 -0.466 . . . . 50.619999999999997 111.192 179.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -63.86 -45.92 87.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 50.549999999999997 111.237 178.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.44 -37.54 86.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 50.509999999999998 111.218 178.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 60.8 tpp -65.14 -45.96 82.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 50.509999999999998 111.2 178.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -61.46 -36.93 81.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 50.509999999999998 111.131 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 91.8 mmm -59.69 -25.38 64.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 50.509999999999998 111.207 177.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 43.5 mm -89.65 -41.27 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 50.509999999999998 111.239 177.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 98.0 mt -55.73 -39.38 55.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 50.509999999999998 111.232 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -64.9 -25.04 67.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.482 . . . . 50.549999999999997 111.178 -177.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -97.81 104.57 22.18 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.127 -0.488 . . . . 50.619999999999997 111.229 -178.196 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -55.99 -26.67 60.06 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.729 1.619 . . . . 50.509999999999998 111.198 -176.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 48.1 ttp180 -54.79 -32.39 60.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 50.640000000000001 111.214 -178.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -112.38 34.77 4.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.27 -0.423 . . . . 50.509999999999998 111.162 -177.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 93.9 p -55.09 -30.48 59.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.264 -0.425 . . . . 50.509999999999998 111.173 178.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.64 -36.4 82.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 50.509999999999998 111.249 176.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.5 mt -81.91 -26.83 33.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 50.509999999999998 111.173 179.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.53 -26.58 65.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.288 -0.414 . . . . 50.509999999999998 111.161 176.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.5 mttt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 50.509999999999998 111.242 -179.103 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.807 0.337 . . . . 50.509999999999998 111.235 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -64.79 -35.54 81.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 50.509999999999998 111.188 178.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -64.22 -44.61 91.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 50.549999999999997 111.197 178.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.07 -39.58 92.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 50.509999999999998 111.213 176.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 17.2 m-30 -60.56 -46.58 89.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 50.509999999999998 111.171 177.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.48 -40.45 94.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 50.509999999999998 111.262 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -58.39 -47.67 83.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 50.619999999999997 111.204 177.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.04 -37.25 86.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 50.509999999999998 111.205 177.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.436 ' HA ' HD12 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -60.84 -36.44 79.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 50.509999999999998 111.143 178.619 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -69.98 -42.33 73.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.276 -0.42 . . . . 50.509999999999998 111.19 176.044 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -65.17 -27.85 68.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 50.619999999999997 111.194 178.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -96.49 6.18 49.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 50.509999999999998 111.186 179.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 41.41 55.95 3.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 50.640000000000001 111.239 -178.08 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 99.3 t -67.56 121.98 81.39 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 50.509999999999998 111.121 -179.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -54.96 142.25 76.57 Favored 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 121.725 1.617 . . . . 50.509999999999998 111.22 -177.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 95.2 p -66.85 -17.75 65.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 50.509999999999998 111.215 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -87.45 -11.17 49.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.18 -0.464 . . . . 50.549999999999997 111.202 179.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -77.48 144.85 37.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 50.509999999999998 111.244 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 83.4 p -78.56 166.85 22.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 50.509999999999998 111.211 178.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 76.6 t-105 -58.57 -44.74 89.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 50.509999999999998 111.222 176.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -53.49 -46.23 69.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 50.619999999999997 111.199 177.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -68.5 -40.03 81.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 50.549999999999997 111.21 179.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -55.67 -37.66 68.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 50.509999999999998 111.199 177.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 34.9 mmt -74.38 -42.22 59.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 50.509999999999998 111.226 178.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -59.44 -29.42 67.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 50.509999999999998 111.188 179.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 91.6 mtp -73.31 -20.04 60.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 50.509999999999998 111.201 -177.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 47.1 pt -109.34 -13.53 10.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 50.509999999999998 111.177 178.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.402 ' HA ' ' HB3' ' A' ' 53' ' ' ALA . 79.7 mt -79.86 -42.78 22.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 50.509999999999998 111.196 174.488 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -70.4 -20.64 62.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 50.549999999999997 111.219 177.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -88.49 108.47 22.74 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 50.619999999999997 111.174 178.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -55.02 -26.53 50.13 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 121.684 1.589 . . . . 50.509999999999998 111.174 -175.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -60.03 -28.98 68.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 50.640000000000001 111.251 -178.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -115.74 30.83 7.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 50.509999999999998 111.222 -179.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 93.4 p -59.17 -24.58 63.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 50.509999999999998 111.163 177.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.68 -35.64 81.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 50.509999999999998 111.197 175.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 90.5 mt -78.63 -31.21 46.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 50.509999999999998 111.259 177.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.402 ' HB3' ' HA ' ' A' ' 44' ' ' ILE . . . -57.65 -41.59 81.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 50.509999999999998 111.218 173.577 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.8 mttt . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 50.509999999999998 111.223 175.605 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.773 0.32 . . . . 50.509999999999998 111.141 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -63.12 -42.78 99.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 50.509999999999998 111.188 176.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -60.37 -40.3 90.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 50.549999999999997 111.223 177.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.88 -41.99 98.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 50.509999999999998 111.167 176.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -60.55 -45.42 93.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 50.509999999999998 111.227 177.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.5 -44.8 95.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 50.509999999999998 111.144 -178.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -63.78 -40.24 96.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 50.619999999999997 111.21 179.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.0 -39.55 93.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 50.509999999999998 111.228 177.347 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.49 -36.83 83.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 50.509999999999998 111.171 177.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -67.64 -42.41 82.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 50.509999999999998 111.185 175.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -62.82 -31.41 72.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 50.619999999999997 111.192 178.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.2 mmmt -98.84 10.7 40.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 50.509999999999998 111.248 -179.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 39.96 55.57 2.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 50.640000000000001 111.209 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 95.5 t -70.24 121.66 83.88 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 50.509999999999998 111.167 -179.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.91 143.85 70.14 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 121.671 1.581 . . . . 50.509999999999998 111.197 -176.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 95.5 p -68.73 -16.47 63.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 50.509999999999998 111.238 179.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -94.94 -0.26 54.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 50.549999999999997 111.215 179.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -81.43 145.03 30.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 50.509999999999998 111.153 178.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 83.2 p -73.8 170.6 14.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 50.509999999999998 111.141 179.211 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 31.2 t-105 -63.39 -40.91 98.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 50.509999999999998 111.212 176.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -57.28 -47.54 81.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.483 . . . . 50.619999999999997 111.183 175.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 72.3 tp60 -62.82 -43.08 99.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 50.549999999999997 111.152 177.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -55.0 -42.58 72.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.224 -0.444 . . . . 50.509999999999998 111.222 179.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 78.0 mtm -67.44 -46.51 72.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 50.509999999999998 111.21 178.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -57.69 -33.73 68.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 50.509999999999998 111.158 -178.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 92.2 mmm -62.88 -34.46 77.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 50.509999999999998 111.236 179.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 41.1 pt -98.89 -13.23 8.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 50.509999999999998 111.244 -176.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 71.0 mt -73.67 -34.92 42.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 50.509999999999998 111.223 174.046 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -72.67 -16.92 61.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 50.549999999999997 111.225 177.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.451 ' HA ' ' HD2' ' A' ' 47' ' ' PRO . 67.2 t0 -92.05 109.53 38.05 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 50.619999999999997 111.209 178.29 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.451 ' HD2' ' HA ' ' A' ' 46' ' ' ASP . 41.9 Cg_endo -59.72 -19.78 55.25 Favored 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 121.759 1.639 . . . . 50.509999999999998 111.199 -175.47 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 85.0 mtm180 -67.6 -25.75 65.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 50.640000000000001 111.248 -178.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 -115.06 33.17 5.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 50.509999999999998 111.202 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 91.8 p -58.19 -25.99 62.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 50.509999999999998 111.187 177.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.66 -40.68 97.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 50.509999999999998 111.231 176.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.4 mt -74.07 -33.24 63.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 50.509999999999998 111.266 176.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.26 -40.75 91.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 50.509999999999998 111.218 176.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.8 mttt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 50.509999999999998 111.242 176.665 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.867 0.365 . . . . 50.509999999999998 111.219 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -66.17 -33.2 75.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 50.509999999999998 111.169 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 72.3 tp60 -61.02 -49.13 78.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 50.549999999999997 111.145 176.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.81 -36.58 84.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.306 -0.406 . . . . 50.509999999999998 111.139 177.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 18.2 m-30 -59.88 -46.39 89.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 50.509999999999998 111.26 175.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -61.69 -38.59 88.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 50.509999999999998 111.189 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -59.81 -47.47 85.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 50.619999999999997 111.193 177.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.0 -35.67 81.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 50.509999999999998 111.211 176.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.439 ' HA ' HD12 ' A' ' 25' ' ' LEU . 0.1 OUTLIER -62.49 -36.99 84.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 50.509999999999998 111.146 178.879 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -67.41 -42.64 82.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.21 -0.45 . . . . 50.509999999999998 111.151 175.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -62.51 -32.0 72.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 50.619999999999997 111.2 177.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.672 ' HA ' ' HE2' ' A' ' 28' ' ' LYS . 10.2 mmpt? -96.55 12.02 33.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 50.509999999999998 111.15 -179.285 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 40.01 55.08 2.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 50.640000000000001 111.138 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 98.9 t -73.88 120.02 79.11 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 50.509999999999998 111.197 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_exo -55.06 145.03 66.21 Favored 'Trans proline' 0 N--CA 1.457 -0.634 0 C-N-CA 121.708 1.605 . . . . 50.509999999999998 111.208 -176.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 94.9 p -67.71 -15.55 63.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.454 . . . . 50.509999999999998 111.166 178.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -93.04 -3.15 54.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 50.549999999999997 111.268 179.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.17 145.04 33.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.088 -0.505 . . . . 50.509999999999998 111.222 178.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 68.3 p -76.76 164.01 26.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.442 . . . . 50.509999999999998 111.206 -179.19 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 77.0 t-105 -56.11 -46.25 79.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.259 -0.428 . . . . 50.509999999999998 111.204 176.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -56.61 -48.06 78.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 50.619999999999997 111.176 178.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -61.84 -38.01 86.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 50.549999999999997 111.271 179.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.05 -39.53 94.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 50.509999999999998 111.128 177.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 37.1 mmt -68.68 -35.2 76.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 50.509999999999998 111.242 178.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -62.48 -36.75 83.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 50.509999999999998 111.203 177.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 97.7 mmm -63.54 -39.08 93.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 50.509999999999998 111.174 176.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 91.1 mt -65.9 -40.76 88.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 50.509999999999998 111.144 175.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 94.8 mt -64.98 -41.88 93.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 50.509999999999998 111.224 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -64.82 -29.96 70.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 50.549999999999997 111.187 -176.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.407 ' HA ' ' HD2' ' A' ' 47' ' ' PRO . 66.8 t0 -91.58 107.13 19.8 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 50.619999999999997 111.192 -178.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 46' ' ' ASP . 65.7 Cg_exo -56.37 -26.23 61.34 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 121.746 1.63 . . . . 50.509999999999998 111.131 -177.275 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -62.03 -27.02 68.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.439 . . . . 50.640000000000001 111.233 -177.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -115.02 29.41 8.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 50.509999999999998 111.179 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 95.6 p -60.34 -25.45 65.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 50.509999999999998 111.217 178.244 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.1 -37.66 88.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 50.509999999999998 111.167 175.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 90.3 mt -76.15 -32.81 59.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 50.509999999999998 111.238 176.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.27 -41.76 85.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 50.509999999999998 111.186 174.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.7 mttt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 50.509999999999998 111.286 175.267 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.739 0.304 . . . . 50.509999999999998 111.198 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -60.7 -40.66 93.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 50.509999999999998 111.185 178.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 72.7 tp60 -62.14 -42.08 98.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 50.549999999999997 111.26 176.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.13 -36.09 82.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 50.509999999999998 111.167 177.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -62.97 -42.13 99.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 50.509999999999998 111.138 176.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -65.97 -38.95 89.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 50.509999999999998 111.238 178.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -63.23 -45.02 93.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 50.619999999999997 111.173 178.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.1 -40.54 94.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 50.509999999999998 111.278 177.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.563 ' C ' HD21 ' A' ' 25' ' ' LEU . 8.1 tt -54.03 -45.16 71.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 50.509999999999998 111.181 176.253 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -69.58 -37.84 77.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 50.509999999999998 111.217 177.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -61.54 -32.56 72.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 50.619999999999997 111.196 178.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.639 ' HA ' ' HE2' ' A' ' 28' ' ' LYS . 10.9 mmpt? -95.08 10.83 34.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 50.509999999999998 111.256 179.376 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 39.9 54.9 2.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 50.640000000000001 111.219 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 93.9 t -73.24 119.6 76.6 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 50.509999999999998 111.22 179.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -55.04 144.96 66.3 Favored 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 121.764 1.643 . . . . 50.509999999999998 111.176 -176.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 94.6 p -65.47 -17.84 64.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 50.509999999999998 111.2 179.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -84.41 -11.54 56.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 50.549999999999997 111.217 179.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -77.06 145.27 38.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 50.509999999999998 111.18 179.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 81.8 p -73.78 169.01 18.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 50.509999999999998 111.203 -179.276 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 90.0 t90 -59.39 -46.36 88.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 50.509999999999998 111.174 176.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -61.02 -40.68 94.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.252 -0.431 . . . . 50.619999999999997 111.182 178.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 72.9 tp60 -60.07 -42.19 94.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 50.549999999999997 111.203 177.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.41 -42.78 99.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 50.509999999999998 111.242 176.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 39.2 mmt -63.27 -37.03 85.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 50.509999999999998 111.215 179.145 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -66.88 -41.99 86.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 50.509999999999998 111.177 179.024 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 92.9 mmm -59.84 -35.06 73.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 50.509999999999998 111.215 177.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 96.5 mt -75.08 -46.0 40.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 50.509999999999998 111.165 178.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 84.3 mt -58.22 -39.75 74.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 50.509999999999998 111.287 -179.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -63.8 -21.49 66.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 50.549999999999997 111.182 -177.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.436 ' HA ' ' HD2' ' A' ' 47' ' ' PRO . 67.0 t0 -91.03 109.96 38.87 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 50.619999999999997 111.229 -179.224 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . 0.436 ' HD2' ' HA ' ' A' ' 46' ' ' ASP . 69.3 Cg_exo -56.54 -26.15 62.48 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 121.748 1.632 . . . . 50.509999999999998 111.213 -177.363 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -63.15 -24.92 68.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 50.640000000000001 111.188 -178.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 -114.96 35.09 4.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 50.509999999999998 111.176 178.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 92.1 p -59.31 -24.66 63.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 50.509999999999998 111.224 177.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.01 -45.47 85.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 50.509999999999998 111.151 174.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 78.5 mt -66.51 -34.18 77.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 50.509999999999998 111.213 177.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.55 -31.69 62.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 50.509999999999998 111.142 176.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.6 mttt . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.257 -0.429 . . . . 50.509999999999998 111.19 178.187 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.804 0.335 . . . . 50.509999999999998 111.213 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -65.12 -38.19 89.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 50.509999999999998 111.174 178.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 72.3 tp60 -64.33 -44.75 90.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 50.549999999999997 111.155 178.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.0 -37.75 88.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 50.509999999999998 111.182 178.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -60.58 -49.26 78.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 50.509999999999998 111.199 175.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -64.98 -30.17 71.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 50.509999999999998 111.244 -179.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -61.0 -53.99 50.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 50.619999999999997 111.184 176.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.06 -34.98 79.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.424 . . . . 50.509999999999998 111.163 177.099 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.485 ' C ' HD21 ' A' ' 25' ' ' LEU . 9.7 tt -52.96 -52.02 59.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 50.509999999999998 111.21 176.287 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -67.7 -40.76 84.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 50.509999999999998 111.188 179.153 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -68.75 -19.47 64.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 50.619999999999997 111.187 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.632 ' HA ' ' HE3' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -92.67 -0.01 57.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 50.509999999999998 111.27 178.055 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 58.36 42.03 22.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 50.640000000000001 111.143 -179.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 91.7 t -73.81 125.02 90.7 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 116.244 -0.435 . . . . 50.509999999999998 111.155 178.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -55.05 144.0 70.99 Favored 'Trans proline' 0 N--CA 1.458 -0.565 0 C-N-CA 121.67 1.58 . . . . 50.509999999999998 111.207 -178.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 94.6 p -68.22 -14.94 63.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 50.509999999999998 111.195 -179.005 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -92.31 -1.16 57.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 50.549999999999997 111.178 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -83.15 144.93 29.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 50.509999999999998 111.19 179.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 61.1 p -76.58 171.33 14.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 50.509999999999998 111.245 179.25 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 79.3 t90 -58.74 -43.71 90.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 50.509999999999998 111.174 176.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -66.56 -41.38 88.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 50.619999999999997 111.227 -179.141 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -64.88 -38.76 92.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 50.549999999999997 111.244 178.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.65 -45.09 95.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.483 . . . . 50.509999999999998 111.202 174.128 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 64.0 ttp -57.7 -45.04 86.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 50.509999999999998 111.134 177.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -59.4 -44.33 92.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.25 -0.432 . . . . 50.509999999999998 111.227 -179.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 97.7 mtp -62.71 -40.08 96.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 50.509999999999998 111.221 178.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 92.3 mt -63.77 -40.55 89.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.153 -0.476 . . . . 50.509999999999998 111.196 176.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 91.8 mt -64.25 -40.85 90.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 50.509999999999998 111.214 178.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -62.28 -25.93 68.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 50.549999999999997 111.255 -177.249 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -91.67 105.37 12.97 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 50.619999999999997 111.202 179.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -55.06 -30.18 68.93 Favored 'Trans proline' 0 N--CA 1.458 -0.565 0 C-N-CA 121.708 1.605 . . . . 50.509999999999998 111.155 -176.284 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -64.99 -29.89 70.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 50.640000000000001 111.128 -177.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 16.2 m-30 -100.1 23.31 10.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 50.509999999999998 111.228 -178.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 95.2 p -59.7 -25.0 64.42 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.118 -0.492 . . . . 50.509999999999998 111.223 -179.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.3 -34.87 75.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 50.509999999999998 111.136 176.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -88.12 -30.21 20.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 50.509999999999998 111.255 178.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.07 -40.87 77.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 50.509999999999998 111.218 174.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.4 mttt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 50.509999999999998 111.262 177.628 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.71 0.29 . . . . 50.509999999999998 111.155 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -64.14 -36.85 85.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.258 -0.428 . . . . 50.509999999999998 111.18 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 65.7 tp60 -60.61 -48.6 81.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 50.549999999999997 111.197 178.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.25 -38.32 90.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 50.509999999999998 111.204 179.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 20.8 m-30 -63.7 -46.03 87.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 50.509999999999998 111.236 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -65.01 -42.5 94.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.458 . . . . 50.509999999999998 111.236 -178.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -65.6 -40.4 92.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 50.619999999999997 111.228 -179.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.96 -42.99 94.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 50.509999999999998 111.17 175.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.606 ' C ' HD21 ' A' ' 25' ' ' LEU . 6.8 tt -55.67 -44.61 77.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 50.509999999999998 111.246 176.73 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -67.71 -39.01 84.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.426 . . . . 50.509999999999998 111.189 178.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -61.13 -37.33 82.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 50.619999999999997 111.225 178.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -91.78 4.09 53.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 50.509999999999998 111.142 178.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 40.57 55.16 2.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 50.640000000000001 111.18 -178.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 88.5 t -65.67 123.59 85.07 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.436 . . . . 50.509999999999998 111.223 -178.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -55.11 144.94 67.18 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 121.678 1.585 . . . . 50.509999999999998 111.141 -176.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 94.7 p -67.52 -16.07 64.0 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.23 -0.441 . . . . 50.509999999999998 111.135 179.212 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -89.76 -4.75 57.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.451 . . . . 50.549999999999997 111.269 179.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -76.25 145.01 40.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 50.509999999999998 111.186 178.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 80.9 p -71.34 165.0 24.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 50.509999999999998 111.263 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 91.3 t90 -56.92 -45.04 82.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 50.509999999999998 111.168 177.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.43 -43.22 98.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.232 -0.44 . . . . 50.619999999999997 111.194 179.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 72.8 tp60 -57.83 -43.32 85.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 50.549999999999997 111.27 177.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.77 -45.28 94.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 50.509999999999998 111.158 177.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 96.7 mmm -63.18 -34.56 77.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 50.509999999999998 111.167 -179.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -64.73 -43.55 93.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.429 . . . . 50.509999999999998 111.168 176.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 99.7 mmm -65.1 -34.94 79.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 50.509999999999998 111.142 177.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 88.7 mt -64.21 -45.06 97.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.221 -0.445 . . . . 50.509999999999998 111.166 176.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 93.4 mt -64.99 -36.07 76.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 50.509999999999998 111.172 177.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -78.01 -2.86 39.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 50.549999999999997 111.092 -178.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -89.56 101.36 3.15 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.254 -0.43 . . . . 50.619999999999997 111.165 177.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -54.36 -29.45 58.26 Favored 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.715 1.61 . . . . 50.509999999999998 111.258 -174.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -63.58 -32.45 73.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 50.640000000000001 111.225 -176.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 99.7 m-85 -124.0 4.96 8.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 50.509999999999998 111.169 -177.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 91.3 p -60.3 -27.39 67.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 50.509999999999998 111.177 179.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.09 -26.99 69.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 50.509999999999998 111.205 179.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 93.1 mt -103.23 -30.9 10.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 50.509999999999998 111.243 -179.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.81 -33.83 76.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 50.509999999999998 111.197 178.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.2 mttt . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 50.509999999999998 111.185 179.228 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 8.9 m95 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.81 0.338 . . . . 50.509999999999998 111.192 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -98.77 -7.06 28.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 50.549999999999997 111.23 179.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 85.8 m -124.28 131.83 53.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 50.509999999999998 111.219 -178.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -61.45 -40.87 96.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 50.509999999999998 111.237 -178.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -64.06 -41.47 97.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 50.619999999999997 111.152 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -66.09 -35.66 81.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 50.619999999999997 111.205 177.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.46 -44.18 97.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 50.509999999999998 111.177 175.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -61.53 -38.67 88.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 50.509999999999998 111.23 178.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 72.5 tp60 -61.56 -44.29 97.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 50.549999999999997 111.251 176.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.34 -38.81 88.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 50.509999999999998 111.201 177.154 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 18.3 m-30 -61.44 -46.73 88.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 50.509999999999998 111.197 177.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -60.48 -39.93 89.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 50.509999999999998 111.191 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -60.2 -47.0 87.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 50.619999999999997 111.187 177.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.87 -35.08 79.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 50.509999999999998 111.171 177.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.453 ' HA ' HD12 ' A' ' 25' ' ' LEU . 0.1 OUTLIER -63.13 -37.63 87.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 50.509999999999998 111.2 178.055 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -66.31 -41.78 89.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 50.509999999999998 111.192 174.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -65.03 -29.42 70.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 50.619999999999997 111.192 177.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.516 ' HA ' ' HE2' ' A' ' 28' ' ' LYS . 10.5 mmpt? -95.01 8.55 42.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 50.509999999999998 111.204 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 46.6 52.31 11.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 50.640000000000001 111.22 178.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.409 HG23 ' HG3' ' A' ' 42' ' ' MET . 98.1 t -74.7 120.83 83.44 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 50.509999999999998 111.216 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -55.06 143.47 73.59 Favored 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 121.676 1.584 . . . . 50.509999999999998 111.22 -178.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 94.5 p -66.64 -17.02 64.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 50.509999999999998 111.176 178.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -94.94 -0.44 53.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 50.549999999999997 111.245 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -80.89 144.95 31.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 50.509999999999998 111.171 178.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 78.9 p -75.26 164.83 26.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 50.509999999999998 111.249 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 76.1 t-105 -57.15 -43.22 82.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 50.509999999999998 111.227 177.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -58.76 -48.07 82.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 50.619999999999997 111.161 178.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -63.86 -35.0 79.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 50.549999999999997 111.199 178.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.32 -40.21 95.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 50.509999999999998 111.185 177.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 36.4 mmt -70.89 -36.24 72.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 50.509999999999998 111.197 -179.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -54.37 -28.77 45.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.482 . . . . 50.509999999999998 111.167 178.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.409 ' HG3' HG23 ' A' ' 30' ' ' VAL . 99.6 mmm -71.05 -28.81 64.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 50.509999999999998 111.188 -177.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 47.3 pt -102.79 -9.33 9.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 50.509999999999998 111.156 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 92.1 mt -83.21 -43.87 18.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 50.509999999999998 111.229 174.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -74.85 -17.55 60.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 50.549999999999997 111.189 179.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.456 ' HA ' ' HD2' ' A' ' 47' ' ' PRO . 66.8 t0 -98.41 107.5 42.4 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 50.619999999999997 111.173 -179.784 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.456 ' HD2' ' HA ' ' A' ' 46' ' ' ASP . 53.2 Cg_exo -55.97 -25.58 54.25 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 121.668 1.579 . . . . 50.509999999999998 111.164 -176.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -61.96 -28.48 69.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 50.640000000000001 111.159 -177.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -114.91 22.17 13.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 50.509999999999998 111.245 -179.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 96.7 p -57.9 -28.26 64.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 50.509999999999998 111.168 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.15 -36.97 85.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.429 . . . . 50.509999999999998 111.228 176.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 97.8 mt -79.85 -30.75 40.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 50.509999999999998 111.227 178.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.33 -39.13 89.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 50.509999999999998 111.201 175.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -77.37 -38.12 50.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 50.509999999999998 111.17 175.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 46.0 tp -59.19 -35.46 73.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 50.509999999999998 111.202 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 54.6 p -64.14 -19.17 65.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.468 . . . . 50.509999999999998 111.184 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -95.8 -30.28 13.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 50.619999999999997 111.166 175.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -72.03 -25.07 61.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 50.509999999999998 111.182 177.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 50.509999999999998 111.2 -179.158 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 44.5 m95 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.839 0.352 . . . . 50.509999999999998 111.193 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -89.47 -28.8 19.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 50.549999999999997 111.237 -178.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 91.4 m -126.05 121.47 33.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 50.509999999999998 111.24 -179.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -62.8 -35.87 81.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 50.509999999999998 111.2 -178.164 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -63.27 -42.91 99.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 50.619999999999997 111.16 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -69.28 -36.4 77.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 50.619999999999997 111.161 178.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.8 -45.48 93.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 50.509999999999998 111.212 177.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -66.16 -39.32 89.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 50.509999999999998 111.19 179.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 71.6 tp60 -61.14 -44.27 97.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 50.549999999999997 111.19 176.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.17 -38.7 90.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.267 -0.424 . . . . 50.509999999999998 111.256 177.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 77.2 t80 -60.67 -46.61 89.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 50.509999999999998 111.192 177.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -63.11 -37.96 89.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 50.509999999999998 111.188 179.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -64.99 -42.48 94.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.245 -0.434 . . . . 50.619999999999997 111.246 177.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.97 -36.6 84.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 50.509999999999998 111.202 177.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.6 -43.95 85.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 50.509999999999998 111.237 175.372 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -63.73 -39.58 94.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 50.509999999999998 111.203 175.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 49.4 tp10 -64.0 -30.11 71.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 50.619999999999997 111.22 178.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.7 mmmt -96.46 5.29 51.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 50.509999999999998 111.174 -178.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 57.14 44.22 22.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 50.640000000000001 111.211 178.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 93.8 t -75.66 123.12 88.29 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 50.509999999999998 111.134 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -56.15 143.18 85.3 Favored 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 121.739 1.626 . . . . 50.509999999999998 111.197 -178.142 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 96.4 p -67.57 -16.36 64.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.307 -0.406 . . . . 50.509999999999998 111.209 179.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 73.5 m-80 -98.57 5.34 47.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 50.549999999999997 111.226 179.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.56 144.99 43.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 50.509999999999998 111.179 179.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 82.9 p -75.06 170.27 16.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 50.509999999999998 111.178 179.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 92.4 t90 -60.4 -44.58 95.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 50.509999999999998 111.178 176.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.89 -39.96 96.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 50.619999999999997 111.205 179.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -63.11 -51.02 68.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 50.549999999999997 111.167 178.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.63 -36.45 78.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 50.509999999999998 111.258 178.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 54.5 ttp -60.44 -53.43 57.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 50.509999999999998 111.111 177.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -60.6 -35.89 77.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 50.509999999999998 111.151 -177.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 92.6 mmm -59.44 -25.91 64.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.421 . . . . 50.509999999999998 111.194 178.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 47.1 mm -89.48 -41.4 13.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.462 . . . . 50.509999999999998 111.149 177.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 97.1 mt -57.14 -36.31 51.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 50.509999999999998 111.258 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -74.14 -9.97 59.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 50.549999999999997 111.254 -175.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.426 ' HA ' ' HD2' ' A' ' 47' ' ' PRO . 66.3 t0 -116.41 101.4 53.75 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 50.619999999999997 111.246 -178.622 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' ' 46' ' ' ASP . 77.5 Cg_exo -55.08 -25.07 43.42 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 121.683 1.589 . . . . 50.509999999999998 111.137 -177.086 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 -48.4 -38.24 19.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.287 -0.415 . . . . 50.640000000000001 111.21 179.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -115.33 39.54 2.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 50.509999999999998 111.225 -177.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 93.5 p -55.58 -28.5 55.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 50.509999999999998 111.191 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.68 -39.8 94.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 50.509999999999998 111.209 177.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 84.8 mt -74.89 -31.73 61.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 50.509999999999998 111.235 177.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.27 -38.16 85.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 50.509999999999998 111.249 173.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -75.61 -33.88 60.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 50.509999999999998 111.184 175.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 64.2 tp -53.95 -44.86 71.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 50.509999999999998 111.21 176.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 73.3 p -65.07 -17.95 64.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 50.509999999999998 111.218 -179.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -89.4 -11.12 44.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 50.619999999999997 111.223 -179.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -72.1 140.02 48.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 50.509999999999998 111.239 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 87.7 tttt . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 50.509999999999998 111.209 -179.865 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.728 0.299 . . . . 50.509999999999998 111.169 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -64.98 -27.37 68.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 50.549999999999997 111.198 -177.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 42.0 p -123.95 175.06 7.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 50.509999999999998 111.234 179.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -63.0 -42.74 99.93 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.195 -0.457 . . . . 50.509999999999998 111.184 178.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -65.23 -41.27 94.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 50.619999999999997 111.193 178.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -61.71 -41.55 97.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 50.619999999999997 111.142 177.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.86 -42.24 95.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.25 -0.432 . . . . 50.509999999999998 111.157 -179.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -64.27 -45.95 85.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 50.509999999999998 111.244 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -67.73 -45.57 74.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 50.549999999999997 111.202 -179.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.46 -33.29 75.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 50.509999999999998 111.186 178.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -64.0 -48.82 74.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 50.509999999999998 111.218 177.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -60.63 -38.62 85.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.283 -0.417 . . . . 50.509999999999998 111.106 178.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -66.9 -42.61 85.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 50.619999999999997 111.164 177.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.14 -35.01 79.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 50.509999999999998 111.173 178.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.432 HD12 ' HA ' ' A' ' 25' ' ' LEU . 0.5 OUTLIER -55.32 -44.04 75.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 50.509999999999998 111.157 175.719 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -66.31 -40.48 89.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 50.509999999999998 111.256 176.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -64.96 -25.25 67.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 50.619999999999997 111.247 178.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.415 ' HA ' ' HD2' ' A' ' 28' ' ' LYS . 26.3 mmmt -99.91 7.45 44.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 50.509999999999998 111.202 -178.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 55.21 39.92 31.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 50.640000000000001 111.19 178.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 98.9 t -69.91 122.8 87.19 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 50.509999999999998 111.249 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -55.02 140.64 80.01 Favored 'Trans proline' 0 N--CA 1.457 -0.63 0 C-N-CA 121.783 1.655 . . . . 50.509999999999998 111.144 -178.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 95.9 p -67.34 -17.52 64.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 50.509999999999998 111.134 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -95.79 3.12 54.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.257 -0.429 . . . . 50.549999999999997 111.183 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.77 143.81 43.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 50.509999999999998 111.149 179.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 80.1 p -73.36 173.22 9.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 50.509999999999998 111.187 179.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 92.1 t90 -60.74 -45.23 95.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 50.509999999999998 111.241 176.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -64.47 -41.16 96.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.176 -0.466 . . . . 50.619999999999997 111.192 179.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -63.86 -45.92 87.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 50.549999999999997 111.237 178.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.44 -37.54 86.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 50.509999999999998 111.218 178.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 60.8 tpp -65.14 -45.96 82.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 50.509999999999998 111.2 178.328 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -61.46 -36.93 81.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 50.509999999999998 111.131 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 91.8 mmm -59.69 -25.38 64.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 50.509999999999998 111.207 177.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 43.5 mm -89.65 -41.27 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 50.509999999999998 111.239 177.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 98.0 mt -55.73 -39.38 55.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 50.509999999999998 111.232 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -64.9 -25.04 67.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.482 . . . . 50.549999999999997 111.178 -177.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 65.8 t0 -97.81 104.57 22.18 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.127 -0.488 . . . . 50.619999999999997 111.229 -178.196 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 76.7 Cg_exo -55.99 -26.67 60.06 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.729 1.619 . . . . 50.509999999999998 111.198 -176.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 48.1 ttp180 -54.79 -32.39 60.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 50.640000000000001 111.214 -178.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -112.38 34.77 4.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.27 -0.423 . . . . 50.509999999999998 111.162 -177.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 93.9 p -55.09 -30.48 59.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.264 -0.425 . . . . 50.509999999999998 111.173 178.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.64 -36.4 82.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 50.509999999999998 111.249 176.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 96.5 mt -81.91 -26.83 33.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 50.509999999999998 111.173 179.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.53 -26.58 65.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.288 -0.414 . . . . 50.509999999999998 111.161 176.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -64.12 -20.07 65.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 50.509999999999998 111.242 -179.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.3 mt -64.49 -20.77 66.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 50.509999999999998 111.165 -179.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 80.7 p -64.9 -21.6 66.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.276 -0.42 . . . . 50.509999999999998 111.171 177.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -103.99 -33.99 8.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 50.619999999999997 111.238 177.343 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -69.5 -23.15 63.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 50.509999999999998 111.206 179.01 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.437 ' O ' ' HG2' ' A' ' 59' ' ' LYS . 87.4 tttt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 50.509999999999998 111.187 179.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.571 ' N ' ' CD1' ' A' ' 11' ' ' TRP . 1.8 m0 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.877 0.37 . . . . 50.509999999999998 111.242 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -69.88 -29.85 67.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 50.549999999999997 111.146 -178.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 44.3 p -116.07 166.42 12.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 50.509999999999998 111.209 179.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -60.91 -33.62 73.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 50.509999999999998 111.215 177.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -67.24 -46.74 72.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 50.619999999999997 111.145 178.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -63.5 -36.24 83.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.436 . . . . 50.619999999999997 111.221 178.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.34 -44.18 95.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 50.509999999999998 111.235 177.023 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -64.79 -35.54 81.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 50.509999999999998 111.188 178.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -64.22 -44.61 91.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 50.549999999999997 111.197 178.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.07 -39.58 92.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 50.509999999999998 111.213 176.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 17.2 m-30 -60.56 -46.58 89.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 50.509999999999998 111.171 177.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.48 -40.45 94.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 50.509999999999998 111.262 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -58.39 -47.67 83.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 50.619999999999997 111.204 177.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.04 -37.25 86.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 50.509999999999998 111.205 177.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.436 ' HA ' HD12 ' A' ' 25' ' ' LEU . 0.3 OUTLIER -60.84 -36.44 79.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 50.509999999999998 111.143 178.619 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -69.98 -42.33 73.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.276 -0.42 . . . . 50.509999999999998 111.19 176.044 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -65.17 -27.85 68.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 50.619999999999997 111.194 178.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -96.49 6.18 49.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 50.509999999999998 111.186 179.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 41.41 55.95 3.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 50.640000000000001 111.239 -178.08 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 99.3 t -67.56 121.98 81.39 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 50.509999999999998 111.121 -179.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -54.96 142.25 76.57 Favored 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 121.725 1.617 . . . . 50.509999999999998 111.22 -177.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 95.2 p -66.85 -17.75 65.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 50.509999999999998 111.215 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -87.45 -11.17 49.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.18 -0.464 . . . . 50.549999999999997 111.202 179.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -77.48 144.85 37.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 50.509999999999998 111.244 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 83.4 p -78.56 166.85 22.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 50.509999999999998 111.211 178.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 76.6 t-105 -58.57 -44.74 89.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 50.509999999999998 111.222 176.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -53.49 -46.23 69.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 50.619999999999997 111.199 177.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -68.5 -40.03 81.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 50.549999999999997 111.21 179.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -55.67 -37.66 68.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 50.509999999999998 111.199 177.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 34.9 mmt -74.38 -42.22 59.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 50.509999999999998 111.226 178.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -59.44 -29.42 67.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 50.509999999999998 111.188 179.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 91.6 mtp -73.31 -20.04 60.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 50.509999999999998 111.201 -177.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 47.1 pt -109.34 -13.53 10.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 50.509999999999998 111.177 178.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.402 ' HA ' ' HB3' ' A' ' 53' ' ' ALA . 79.7 mt -79.86 -42.78 22.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 50.509999999999998 111.196 174.488 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -70.4 -20.64 62.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 50.549999999999997 111.219 177.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -88.49 108.47 22.74 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 50.619999999999997 111.174 178.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -55.02 -26.53 50.13 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 121.684 1.589 . . . . 50.509999999999998 111.174 -175.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -60.03 -28.98 68.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 50.640000000000001 111.251 -178.069 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -115.74 30.83 7.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 50.509999999999998 111.222 -179.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 93.4 p -59.17 -24.58 63.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 50.509999999999998 111.163 177.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.68 -35.64 81.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 50.509999999999998 111.197 175.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 90.5 mt -78.63 -31.21 46.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 50.509999999999998 111.259 177.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.402 ' HB3' ' HA ' ' A' ' 44' ' ' ILE . . . -57.65 -41.59 81.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 50.509999999999998 111.218 173.577 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -74.54 -35.06 63.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 50.509999999999998 111.223 175.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 56.8 tp -59.95 -36.4 77.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 50.509999999999998 111.206 -179.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 60.5 p -62.72 -17.16 60.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 50.509999999999998 111.162 -179.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -101.69 -33.78 9.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 50.619999999999997 111.145 176.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -68.65 -29.99 68.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 50.509999999999998 111.25 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 50.509999999999998 111.162 -178.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.725 0.298 . . . . 50.509999999999998 111.224 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -69.16 -44.61 71.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 50.549999999999997 111.225 178.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 53.5 p -132.11 174.99 9.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 50.509999999999998 111.203 178.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -61.28 -33.96 74.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 50.509999999999998 111.221 176.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -69.08 -32.26 71.58 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.215 -0.448 . . . . 50.619999999999997 111.187 178.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -67.57 -38.67 84.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 50.619999999999997 111.214 175.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.32 -39.17 93.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 50.509999999999998 111.141 174.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -63.12 -42.78 99.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 50.509999999999998 111.188 176.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -60.37 -40.3 90.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 50.549999999999997 111.223 177.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.88 -41.99 98.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 50.509999999999998 111.167 176.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -60.55 -45.42 93.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 50.509999999999998 111.227 177.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.5 -44.8 95.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 50.509999999999998 111.144 -178.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -63.78 -40.24 96.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 50.619999999999997 111.21 179.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.0 -39.55 93.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 50.509999999999998 111.228 177.347 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.49 -36.83 83.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 50.509999999999998 111.171 177.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -67.64 -42.41 82.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 50.509999999999998 111.185 175.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -62.82 -31.41 72.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 50.619999999999997 111.192 178.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.2 mmmt -98.84 10.7 40.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 50.509999999999998 111.248 -179.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 39.96 55.57 2.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 50.640000000000001 111.209 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 95.5 t -70.24 121.66 83.88 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 50.509999999999998 111.167 -179.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.91 143.85 70.14 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 121.671 1.581 . . . . 50.509999999999998 111.197 -176.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 95.5 p -68.73 -16.47 63.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 50.509999999999998 111.238 179.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -94.94 -0.26 54.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 50.549999999999997 111.215 179.203 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -81.43 145.03 30.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 50.509999999999998 111.153 178.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 83.2 p -73.8 170.6 14.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 50.509999999999998 111.141 179.211 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 31.2 t-105 -63.39 -40.91 98.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 50.509999999999998 111.212 176.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -57.28 -47.54 81.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.483 . . . . 50.619999999999997 111.183 175.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 72.3 tp60 -62.82 -43.08 99.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 50.549999999999997 111.152 177.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -55.0 -42.58 72.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.224 -0.444 . . . . 50.509999999999998 111.222 179.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 78.0 mtm -67.44 -46.51 72.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 50.509999999999998 111.21 178.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -57.69 -33.73 68.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 50.509999999999998 111.158 -178.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 92.2 mmm -62.88 -34.46 77.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 50.509999999999998 111.236 179.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 41.1 pt -98.89 -13.23 8.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 50.509999999999998 111.244 -176.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 71.0 mt -73.67 -34.92 42.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 50.509999999999998 111.223 174.046 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -72.67 -16.92 61.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 50.549999999999997 111.225 177.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.451 ' HA ' ' HD2' ' A' ' 47' ' ' PRO . 67.2 t0 -92.05 109.53 38.05 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 50.619999999999997 111.209 178.29 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.451 ' HD2' ' HA ' ' A' ' 46' ' ' ASP . 41.9 Cg_endo -59.72 -19.78 55.25 Favored 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 121.759 1.639 . . . . 50.509999999999998 111.199 -175.47 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 85.0 mtm180 -67.6 -25.75 65.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 50.640000000000001 111.248 -178.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 -115.06 33.17 5.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 50.509999999999998 111.202 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 91.8 p -58.19 -25.99 62.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 50.509999999999998 111.187 177.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.66 -40.68 97.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 50.509999999999998 111.231 176.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.4 mt -74.07 -33.24 63.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 50.509999999999998 111.266 176.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.26 -40.75 91.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 50.509999999999998 111.218 176.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -74.08 -40.75 62.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 50.509999999999998 111.242 176.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 60.5 tp -57.1 -39.27 74.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 50.509999999999998 111.133 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 56.3 p -62.34 -19.92 63.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.221 -0.445 . . . . 50.509999999999998 111.221 -179.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -95.99 -31.16 13.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 50.619999999999997 111.154 176.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -65.12 -34.91 79.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.278 -0.419 . . . . 50.509999999999998 111.198 178.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.585 ' O ' ' HG3' ' A' ' 59' ' ' LYS . 55.1 tptt . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.256 -0.429 . . . . 50.509999999999998 111.155 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.528 ' N ' ' CD1' ' A' ' 11' ' ' TRP . 5.8 m0 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.809 0.338 . . . . 50.509999999999998 111.19 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -81.87 -17.4 47.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 50.549999999999997 111.199 -178.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 44.1 p -125.03 168.98 12.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 50.509999999999998 111.162 179.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -65.24 -33.18 75.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 50.509999999999998 111.231 177.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -69.08 -44.05 73.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 50.619999999999997 111.232 178.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -66.6 -37.7 85.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.265 -0.425 . . . . 50.619999999999997 111.174 178.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.38 -48.96 75.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.253 -0.431 . . . . 50.509999999999998 111.219 177.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -66.17 -33.2 75.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 50.509999999999998 111.169 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 72.3 tp60 -61.02 -49.13 78.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 50.549999999999997 111.145 176.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.81 -36.58 84.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.306 -0.406 . . . . 50.509999999999998 111.139 177.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 18.2 m-30 -59.88 -46.39 89.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 50.509999999999998 111.26 175.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -61.69 -38.59 88.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 50.509999999999998 111.189 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -59.81 -47.47 85.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 50.619999999999997 111.193 177.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.0 -35.67 81.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 50.509999999999998 111.211 176.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.439 ' HA ' HD12 ' A' ' 25' ' ' LEU . 0.1 OUTLIER -62.49 -36.99 84.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 50.509999999999998 111.146 178.879 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -67.41 -42.64 82.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.21 -0.45 . . . . 50.509999999999998 111.151 175.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -62.51 -32.0 72.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 50.619999999999997 111.2 177.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.672 ' HA ' ' HE2' ' A' ' 28' ' ' LYS . 10.2 mmpt? -96.55 12.02 33.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 50.509999999999998 111.15 -179.285 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 40.01 55.08 2.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 50.640000000000001 111.138 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 98.9 t -73.88 120.02 79.11 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 50.509999999999998 111.197 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 63.9 Cg_exo -55.06 145.03 66.21 Favored 'Trans proline' 0 N--CA 1.457 -0.634 0 C-N-CA 121.708 1.605 . . . . 50.509999999999998 111.208 -176.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 94.9 p -67.71 -15.55 63.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.454 . . . . 50.509999999999998 111.166 178.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -93.04 -3.15 54.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 50.549999999999997 111.268 179.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.17 145.04 33.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.088 -0.505 . . . . 50.509999999999998 111.222 178.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 68.3 p -76.76 164.01 26.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.442 . . . . 50.509999999999998 111.206 -179.19 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 77.0 t-105 -56.11 -46.25 79.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.259 -0.428 . . . . 50.509999999999998 111.204 176.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -56.61 -48.06 78.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 50.619999999999997 111.176 178.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -61.84 -38.01 86.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 50.549999999999997 111.271 179.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.05 -39.53 94.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 50.509999999999998 111.128 177.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 37.1 mmt -68.68 -35.2 76.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 50.509999999999998 111.242 178.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -62.48 -36.75 83.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 50.509999999999998 111.203 177.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 97.7 mmm -63.54 -39.08 93.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 50.509999999999998 111.174 176.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 91.1 mt -65.9 -40.76 88.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 50.509999999999998 111.144 175.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 94.8 mt -64.98 -41.88 93.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 50.509999999999998 111.224 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -64.82 -29.96 70.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 50.549999999999997 111.187 -176.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.407 ' HA ' ' HD2' ' A' ' 47' ' ' PRO . 66.8 t0 -91.58 107.13 19.8 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 50.619999999999997 111.192 -178.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 46' ' ' ASP . 65.7 Cg_exo -56.37 -26.23 61.34 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 121.746 1.63 . . . . 50.509999999999998 111.131 -177.275 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -62.03 -27.02 68.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.439 . . . . 50.640000000000001 111.233 -177.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -115.02 29.41 8.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 50.509999999999998 111.179 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 95.6 p -60.34 -25.45 65.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 50.509999999999998 111.217 178.244 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.1 -37.66 88.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 50.509999999999998 111.167 175.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 90.3 mt -76.15 -32.81 59.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 50.509999999999998 111.238 176.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.27 -41.76 85.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 50.509999999999998 111.186 174.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -71.56 -40.23 70.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 50.509999999999998 111.286 175.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 60.2 tp -53.74 -42.71 68.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 50.509999999999998 111.204 178.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 60.4 p -65.06 -19.74 66.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.426 . . . . 50.509999999999998 111.245 -178.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -93.09 -20.89 20.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.474 . . . . 50.619999999999997 111.164 178.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -69.83 140.0 53.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 50.509999999999998 111.184 179.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 87.9 tttt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 50.509999999999998 111.193 -179.841 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 6.1 m95 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.815 0.341 . . . . 50.509999999999998 111.17 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -95.87 1.79 53.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 50.549999999999997 111.251 178.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 85.0 m -134.83 130.09 35.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 50.509999999999998 111.198 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -63.6 -43.04 98.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 50.509999999999998 111.213 -178.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -62.83 -40.1 96.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 50.619999999999997 111.138 -179.092 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -66.01 -38.58 88.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.264 -0.426 . . . . 50.619999999999997 111.173 178.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.54 -41.86 98.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 50.509999999999998 111.198 175.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -60.7 -40.66 93.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 50.509999999999998 111.185 178.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 72.7 tp60 -62.14 -42.08 98.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 50.549999999999997 111.26 176.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.13 -36.09 82.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 50.509999999999998 111.167 177.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -62.97 -42.13 99.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 50.509999999999998 111.138 176.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -65.97 -38.95 89.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 50.509999999999998 111.238 178.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -63.23 -45.02 93.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 50.619999999999997 111.173 178.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.1 -40.54 94.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 50.509999999999998 111.278 177.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.563 ' C ' HD21 ' A' ' 25' ' ' LEU . 8.1 tt -54.03 -45.16 71.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 50.509999999999998 111.181 176.253 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -69.58 -37.84 77.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 50.509999999999998 111.217 177.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -61.54 -32.56 72.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 50.619999999999997 111.196 178.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.639 ' HA ' ' HE2' ' A' ' 28' ' ' LYS . 10.9 mmpt? -95.08 10.83 34.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 50.509999999999998 111.256 179.376 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 39.9 54.9 2.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 50.640000000000001 111.219 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 93.9 t -73.24 119.6 76.6 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 50.509999999999998 111.22 179.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -55.04 144.96 66.3 Favored 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 121.764 1.643 . . . . 50.509999999999998 111.176 -176.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 94.6 p -65.47 -17.84 64.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 50.509999999999998 111.2 179.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -84.41 -11.54 56.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 50.549999999999997 111.217 179.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -77.06 145.27 38.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 50.509999999999998 111.18 179.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 81.8 p -73.78 169.01 18.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 50.509999999999998 111.203 -179.276 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 90.0 t90 -59.39 -46.36 88.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 50.509999999999998 111.174 176.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -61.02 -40.68 94.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.252 -0.431 . . . . 50.619999999999997 111.182 178.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 72.9 tp60 -60.07 -42.19 94.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 50.549999999999997 111.203 177.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.41 -42.78 99.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 50.509999999999998 111.242 176.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 39.2 mmt -63.27 -37.03 85.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 50.509999999999998 111.215 179.145 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -66.88 -41.99 86.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 50.509999999999998 111.177 179.024 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 92.9 mmm -59.84 -35.06 73.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 50.509999999999998 111.215 177.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 96.5 mt -75.08 -46.0 40.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 50.509999999999998 111.165 178.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 84.3 mt -58.22 -39.75 74.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 50.509999999999998 111.287 -179.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -63.8 -21.49 66.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 50.549999999999997 111.182 -177.299 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.436 ' HA ' ' HD2' ' A' ' 47' ' ' PRO . 67.0 t0 -91.03 109.96 38.87 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 50.619999999999997 111.229 -179.224 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . 0.436 ' HD2' ' HA ' ' A' ' 46' ' ' ASP . 69.3 Cg_exo -56.54 -26.15 62.48 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 121.748 1.632 . . . . 50.509999999999998 111.213 -177.363 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -63.15 -24.92 68.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 50.640000000000001 111.188 -178.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 -114.96 35.09 4.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 50.509999999999998 111.176 178.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 92.1 p -59.31 -24.66 63.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 50.509999999999998 111.224 177.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.01 -45.47 85.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 50.509999999999998 111.151 174.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 78.5 mt -66.51 -34.18 77.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 50.509999999999998 111.213 177.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.55 -31.69 62.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 50.509999999999998 111.142 176.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -88.54 -37.23 15.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.257 -0.429 . . . . 50.509999999999998 111.19 178.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.427 ' HA ' ' HB2' ' A' ' 58' ' ' LYS . 86.5 mt -65.89 -18.69 65.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 50.509999999999998 111.221 179.73 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 60.1 p -63.11 -18.12 63.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.452 . . . . 50.509999999999998 111.231 178.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -115.0 -31.83 5.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 50.619999999999997 111.224 177.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.427 ' HB2' ' HA ' ' A' ' 55' ' ' LEU . 98.9 mttt -71.7 -26.81 62.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 50.509999999999998 111.205 -179.44 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 50.509999999999998 111.263 -179.059 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.697 ' N ' ' CD1' ' A' ' 11' ' ' TRP . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.82 0.343 . . . . 50.509999999999998 111.212 . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -78.14 -31.13 49.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 50.549999999999997 111.142 -179.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 37.2 p -107.56 170.91 7.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.267 -0.424 . . . . 50.509999999999998 111.201 179.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -64.67 -36.16 83.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.167 -0.47 . . . . 50.509999999999998 111.142 178.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -68.03 -43.28 79.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 50.619999999999997 111.206 179.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -66.44 -36.73 83.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 50.619999999999997 111.249 178.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.98 -44.34 89.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 50.509999999999998 111.213 178.128 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -65.12 -38.19 89.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 50.509999999999998 111.174 178.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 72.3 tp60 -64.33 -44.75 90.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 50.549999999999997 111.155 178.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.0 -37.75 88.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 50.509999999999998 111.182 178.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -60.58 -49.26 78.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 50.509999999999998 111.199 175.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -64.98 -30.17 71.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 50.509999999999998 111.244 -179.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -61.0 -53.99 50.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 50.619999999999997 111.184 176.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.06 -34.98 79.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.424 . . . . 50.509999999999998 111.163 177.099 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.485 ' C ' HD21 ' A' ' 25' ' ' LEU . 9.7 tt -52.96 -52.02 59.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 50.509999999999998 111.21 176.287 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -67.7 -40.76 84.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 50.509999999999998 111.188 179.153 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -68.75 -19.47 64.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 50.619999999999997 111.187 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.632 ' HA ' ' HE3' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -92.67 -0.01 57.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 50.509999999999998 111.27 178.055 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 58.36 42.03 22.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 50.640000000000001 111.143 -179.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 91.7 t -73.81 125.02 90.7 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 116.244 -0.435 . . . . 50.509999999999998 111.155 178.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -55.05 144.0 70.99 Favored 'Trans proline' 0 N--CA 1.458 -0.565 0 C-N-CA 121.67 1.58 . . . . 50.509999999999998 111.207 -178.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 94.6 p -68.22 -14.94 63.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 50.509999999999998 111.195 -179.005 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -92.31 -1.16 57.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 50.549999999999997 111.178 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -83.15 144.93 29.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 50.509999999999998 111.19 179.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 61.1 p -76.58 171.33 14.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 50.509999999999998 111.245 179.25 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 79.3 t90 -58.74 -43.71 90.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 50.509999999999998 111.174 176.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -66.56 -41.38 88.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 50.619999999999997 111.227 -179.141 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -64.88 -38.76 92.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 50.549999999999997 111.244 178.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.65 -45.09 95.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.483 . . . . 50.509999999999998 111.202 174.128 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 64.0 ttp -57.7 -45.04 86.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 50.509999999999998 111.134 177.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -59.4 -44.33 92.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.25 -0.432 . . . . 50.509999999999998 111.227 -179.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 97.7 mtp -62.71 -40.08 96.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 50.509999999999998 111.221 178.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 92.3 mt -63.77 -40.55 89.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.153 -0.476 . . . . 50.509999999999998 111.196 176.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 91.8 mt -64.25 -40.85 90.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 50.509999999999998 111.214 178.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -62.28 -25.93 68.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 50.549999999999997 111.255 -177.249 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -91.67 105.37 12.97 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 50.619999999999997 111.202 179.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -55.06 -30.18 68.93 Favored 'Trans proline' 0 N--CA 1.458 -0.565 0 C-N-CA 121.708 1.605 . . . . 50.509999999999998 111.155 -176.284 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -64.99 -29.89 70.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 50.640000000000001 111.128 -177.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 16.2 m-30 -100.1 23.31 10.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 50.509999999999998 111.228 -178.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 95.2 p -59.7 -25.0 64.42 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.118 -0.492 . . . . 50.509999999999998 111.223 -179.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.3 -34.87 75.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 50.509999999999998 111.136 176.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -88.12 -30.21 20.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 50.509999999999998 111.255 178.489 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.07 -40.87 77.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 50.509999999999998 111.218 174.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -75.68 -36.05 60.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 50.509999999999998 111.262 177.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 66.4 tp -55.57 -43.6 76.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 50.509999999999998 111.19 177.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 81.4 p -64.94 -20.93 66.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 50.509999999999998 111.204 -179.165 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -85.1 -7.56 59.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 50.619999999999997 111.214 179.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -94.94 -0.49 53.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 50.509999999999998 111.221 178.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 57.6 mttt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 50.509999999999998 111.217 -179.29 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 1.9 m95 . . . . . 0 N--CA 1.457 -0.105 0 CA-C-O 120.831 0.348 . . . . 50.509999999999998 111.195 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -75.05 -18.73 60.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.464 . . . . 50.549999999999997 111.17 177.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 81.4 m -129.81 120.68 25.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 50.509999999999998 111.193 179.306 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -63.0 -34.95 78.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.271 -0.422 . . . . 50.509999999999998 111.222 -178.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -64.49 -38.77 92.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 50.619999999999997 111.166 179.004 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -67.9 -39.05 83.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 50.619999999999997 111.21 177.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.21 -47.52 85.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 50.509999999999998 111.155 175.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -64.14 -36.85 85.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.258 -0.428 . . . . 50.509999999999998 111.18 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 65.7 tp60 -60.61 -48.6 81.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 50.549999999999997 111.197 178.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.25 -38.32 90.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 50.509999999999998 111.204 179.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 20.8 m-30 -63.7 -46.03 87.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 50.509999999999998 111.236 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -65.01 -42.5 94.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.458 . . . . 50.509999999999998 111.236 -178.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -65.6 -40.4 92.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 50.619999999999997 111.228 -179.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.96 -42.99 94.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 50.509999999999998 111.17 175.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.606 ' C ' HD21 ' A' ' 25' ' ' LEU . 6.8 tt -55.67 -44.61 77.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 50.509999999999998 111.246 176.73 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -67.71 -39.01 84.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.426 . . . . 50.509999999999998 111.189 178.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -61.13 -37.33 82.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 50.619999999999997 111.225 178.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -91.78 4.09 53.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 50.509999999999998 111.142 178.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 40.57 55.16 2.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 50.640000000000001 111.18 -178.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 88.5 t -65.67 123.59 85.07 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.436 . . . . 50.509999999999998 111.223 -178.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -55.11 144.94 67.18 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 121.678 1.585 . . . . 50.509999999999998 111.141 -176.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 94.7 p -67.52 -16.07 64.0 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.23 -0.441 . . . . 50.509999999999998 111.135 179.212 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -89.76 -4.75 57.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.451 . . . . 50.549999999999997 111.269 179.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -76.25 145.01 40.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 50.509999999999998 111.186 178.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 80.9 p -71.34 165.0 24.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 50.509999999999998 111.263 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 91.3 t90 -56.92 -45.04 82.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 50.509999999999998 111.168 177.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.43 -43.22 98.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.232 -0.44 . . . . 50.619999999999997 111.194 179.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 72.8 tp60 -57.83 -43.32 85.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 50.549999999999997 111.27 177.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.77 -45.28 94.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 50.509999999999998 111.158 177.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 96.7 mmm -63.18 -34.56 77.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 50.509999999999998 111.167 -179.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -64.73 -43.55 93.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.429 . . . . 50.509999999999998 111.168 176.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 99.7 mmm -65.1 -34.94 79.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 50.509999999999998 111.142 177.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 88.7 mt -64.21 -45.06 97.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.221 -0.445 . . . . 50.509999999999998 111.166 176.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 93.4 mt -64.99 -36.07 76.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 50.509999999999998 111.172 177.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -78.01 -2.86 39.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 50.549999999999997 111.092 -178.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 68.4 t0 -89.56 101.36 3.15 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.254 -0.43 . . . . 50.619999999999997 111.165 177.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_exo -54.36 -29.45 58.26 Favored 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.715 1.61 . . . . 50.509999999999998 111.258 -174.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -63.58 -32.45 73.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 50.640000000000001 111.225 -176.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 99.7 m-85 -124.0 4.96 8.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 50.509999999999998 111.169 -177.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 91.3 p -60.3 -27.39 67.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 50.509999999999998 111.177 179.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.09 -26.99 69.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 50.509999999999998 111.205 179.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 93.1 mt -103.23 -30.9 10.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 50.509999999999998 111.243 -179.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.81 -33.83 76.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 50.509999999999998 111.197 178.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -95.02 5.03 53.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 50.509999999999998 111.185 179.228 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 35.5 tp -61.77 -32.61 72.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 50.509999999999998 111.128 -178.545 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 95.8 p -64.94 -18.15 64.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 50.509999999999998 111.2 178.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -97.86 -31.33 12.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 50.619999999999997 111.182 175.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -64.2 -37.24 86.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 50.509999999999998 111.255 178.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 86.5 tttt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 50.509999999999998 111.198 179.957 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.798 0.332 . . . . 50.51 111.177 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -61.53 -38.67 88.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 50.51 111.23 178.04 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 72.5 tp60 -61.56 -44.29 97.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 50.55 111.251 176.542 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.34 -38.81 88.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 50.51 111.201 177.154 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 18.3 m-30 -61.44 -46.73 88.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 50.51 111.197 177.152 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -60.48 -39.93 89.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 50.51 111.191 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -60.2 -47.0 87.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 50.62 111.187 177.405 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.87 -35.08 79.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 50.51 111.171 177.34 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.46 HD12 ' HA ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -63.13 -37.63 87.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 50.51 111.2 178.055 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -66.31 -41.78 89.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 50.51 111.192 174.779 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -65.03 -29.42 70.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 50.62 111.192 177.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.529 ' HA ' ' HE2' ' A' ' 28' ' ' LYS . 10.5 mmpt? -95.01 8.55 42.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 50.51 111.204 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 46.6 52.31 11.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 50.64 111.22 178.789 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.457 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 98.1 t -74.7 120.83 83.44 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 50.51 111.216 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' ' 30' ' ' VAL . 53.2 Cg_exo -55.06 143.47 73.59 Favored 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 121.676 1.584 . . . . 50.51 111.22 -178.315 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 94.5 p -66.64 -17.02 64.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 50.51 111.176 178.738 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -94.94 -0.44 53.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 50.55 111.245 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -80.89 144.95 31.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 50.51 111.171 178.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 78.9 p -75.26 164.83 26.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 50.51 111.249 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 76.1 t-105 -57.15 -43.22 82.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 50.51 111.227 177.354 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -58.76 -48.07 82.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 50.62 111.161 178.539 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -63.86 -35.0 79.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 50.55 111.199 178.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.32 -40.21 95.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 50.51 111.185 177.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 36.4 mmt -70.89 -36.24 72.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 50.51 111.197 -179.565 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -54.37 -28.77 45.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.482 . . . . 50.51 111.167 178.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.41 ' HG3' HG22 ' A' ' 30' ' ' VAL . 99.6 mmm -71.05 -28.81 64.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 50.51 111.188 -177.826 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 47.3 pt -102.79 -9.33 9.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 50.51 111.156 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 92.1 mt -83.21 -43.87 18.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 50.51 111.229 174.69 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -74.85 -17.55 60.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 50.55 111.189 179.266 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.483 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 66.8 t0 -98.41 107.5 42.4 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 50.62 111.173 -179.784 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.483 ' HD3' ' HA ' ' A' ' 46' ' ' ASP . 53.2 Cg_exo -55.97 -25.58 54.25 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 121.668 1.579 . . . . 50.51 111.164 -176.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -61.96 -28.48 69.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 50.64 111.159 -177.791 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -114.91 22.17 13.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 50.51 111.245 -179.413 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 96.7 p -57.9 -28.26 64.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 50.51 111.168 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.15 -36.97 85.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.429 . . . . 50.51 111.228 176.475 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 97.8 mt -79.85 -30.75 40.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 50.51 111.227 178.323 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.33 -39.13 89.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 50.51 111.201 175.247 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.3 mttt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 50.51 111.17 175.796 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.792 0.33 . . . . 50.51 111.212 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -66.16 -39.32 89.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 50.51 111.19 179.581 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 71.6 tp60 -61.14 -44.27 97.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 50.55 111.19 176.744 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.17 -38.7 90.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.267 -0.424 . . . . 50.51 111.256 177.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.403 ' HA ' HD13 ' A' ' 52' ' ' LEU . 77.2 t80 -60.67 -46.61 89.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 50.51 111.192 177.279 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -63.11 -37.96 89.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 50.51 111.188 179.349 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -64.99 -42.48 94.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.245 -0.434 . . . . 50.62 111.246 177.371 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.97 -36.6 84.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 50.51 111.202 177.518 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.416 HD12 ' HA ' ' A' ' 25' ' ' LEU . 0.7 OUTLIER -57.6 -43.95 85.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 50.51 111.237 175.372 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -63.73 -39.58 94.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 50.51 111.203 175.644 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 49.4 tp10 -64.0 -30.11 71.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 50.62 111.22 178.382 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.7 mmmt -96.46 5.29 51.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 50.51 111.174 -178.326 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 57.14 44.22 22.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 50.64 111.211 178.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.502 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 93.8 t -75.66 123.12 88.29 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 50.51 111.134 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.502 ' HD3' ' HA ' ' A' ' 30' ' ' VAL . 53.2 Cg_exo -56.15 143.18 85.3 Favored 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 121.739 1.626 . . . . 50.51 111.197 -178.142 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 96.4 p -67.57 -16.36 64.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.307 -0.406 . . . . 50.51 111.209 179.275 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 73.5 m-80 -98.57 5.34 47.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 50.55 111.226 179.231 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.56 144.99 43.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 50.51 111.179 179.295 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 82.9 p -75.06 170.27 16.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 50.51 111.178 179.176 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 92.4 t90 -60.4 -44.58 95.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 50.51 111.178 176.699 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.89 -39.96 96.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 50.62 111.205 179.194 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -63.11 -51.02 68.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 50.55 111.167 178.104 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.63 -36.45 78.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 50.51 111.258 178.58 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 54.5 ttp -60.44 -53.43 57.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 50.51 111.111 177.686 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -60.6 -35.89 77.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 50.51 111.151 -177.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 92.6 mmm -59.44 -25.91 64.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.421 . . . . 50.51 111.194 178.026 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 47.1 mm -89.48 -41.4 13.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.462 . . . . 50.51 111.149 177.67 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 97.1 mt -57.14 -36.31 51.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 50.51 111.258 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -74.14 -9.97 59.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 50.55 111.254 -175.568 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -116.41 101.4 53.75 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 50.62 111.246 -178.622 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -55.08 -25.07 43.42 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 121.683 1.589 . . . . 50.51 111.137 -177.086 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 -48.4 -38.24 19.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.287 -0.415 . . . . 50.64 111.21 179.287 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -115.33 39.54 2.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 50.51 111.225 -177.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 93.5 p -55.58 -28.5 55.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 50.51 111.191 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.68 -39.8 94.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 50.51 111.209 177.63 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' A' ' 21' ' ' PHE . 84.8 mt -74.89 -31.73 61.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 50.51 111.235 177.765 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.27 -38.16 85.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 50.51 111.249 173.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.7 mttt . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 50.51 111.184 175.997 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.768 0.318 . . . . 50.51 111.157 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -64.27 -45.95 85.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 50.51 111.244 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -67.73 -45.57 74.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 50.55 111.202 -179.604 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.46 -33.29 75.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 50.51 111.186 178.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.41 ' HA ' HD13 ' A' ' 52' ' ' LEU . 86.8 t80 -64.0 -48.82 74.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 50.51 111.218 177.412 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -60.63 -38.62 85.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.283 -0.417 . . . . 50.51 111.106 178.28 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -66.9 -42.61 85.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 50.62 111.164 177.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.14 -35.01 79.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 50.51 111.173 178.355 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.449 HD12 ' HA ' ' A' ' 25' ' ' LEU . 0.5 OUTLIER -55.32 -44.04 75.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 50.51 111.157 175.719 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -66.31 -40.48 89.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 50.51 111.256 176.167 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -64.96 -25.25 67.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 50.62 111.247 178.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.431 ' HD2' ' HA ' ' A' ' 28' ' ' LYS . 26.3 mmmt -99.91 7.45 44.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 50.51 111.202 -178.885 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 55.21 39.92 31.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 50.64 111.19 178.718 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.422 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 98.9 t -69.91 122.8 87.19 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 50.51 111.249 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 30' ' ' VAL . 52.5 Cg_exo -55.02 140.64 80.01 Favored 'Trans proline' 0 N--CA 1.457 -0.63 0 C-N-CA 121.783 1.655 . . . . 50.51 111.144 -178.05 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 95.9 p -67.34 -17.52 64.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 50.51 111.134 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -95.79 3.12 54.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.257 -0.429 . . . . 50.55 111.183 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.77 143.81 43.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 50.51 111.149 179.439 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 80.1 p -73.36 173.22 9.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 50.51 111.187 179.283 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 92.1 t90 -60.74 -45.23 95.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 50.51 111.241 176.666 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -64.47 -41.16 96.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.176 -0.466 . . . . 50.62 111.192 179.748 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -63.86 -45.92 87.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 50.55 111.237 178.758 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.44 -37.54 86.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 50.51 111.218 178.689 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 60.8 tpp -65.14 -45.96 82.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 50.51 111.2 178.328 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -61.46 -36.93 81.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 50.51 111.131 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 91.8 mmm -59.69 -25.38 64.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 50.51 111.207 177.415 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 43.5 mm -89.65 -41.27 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 50.51 111.239 177.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 98.0 mt -55.73 -39.38 55.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 50.51 111.232 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -64.9 -25.04 67.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.482 . . . . 50.55 111.178 -177.065 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.476 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 65.8 t0 -97.81 104.57 22.18 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.127 -0.488 . . . . 50.62 111.229 -178.196 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' A' ' 46' ' ' ASP . 76.7 Cg_exo -55.99 -26.67 60.06 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.729 1.619 . . . . 50.51 111.198 -176.687 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 48.1 ttp180 -54.79 -32.39 60.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 50.64 111.214 -178.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -112.38 34.77 4.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.27 -0.423 . . . . 50.51 111.162 -177.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 93.9 p -55.09 -30.48 59.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.264 -0.425 . . . . 50.51 111.173 178.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.64 -36.4 82.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 50.51 111.249 176.524 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.41 HD13 ' HA ' ' A' ' 21' ' ' PHE . 96.5 mt -81.91 -26.83 33.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 50.51 111.173 179.602 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.53 -26.58 65.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.288 -0.414 . . . . 50.51 111.161 176.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.5 mttt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 50.51 111.242 -179.103 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.807 0.337 . . . . 50.51 111.235 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -64.79 -35.54 81.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 50.51 111.188 178.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -64.22 -44.61 91.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 50.55 111.197 178.127 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.07 -39.58 92.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 50.51 111.213 176.378 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 17.2 m-30 -60.56 -46.58 89.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 50.51 111.171 177.313 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.48 -40.45 94.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 50.51 111.262 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -58.39 -47.67 83.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 50.62 111.204 177.697 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.04 -37.25 86.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 50.51 111.205 177.771 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.454 HD12 ' HA ' ' A' ' 25' ' ' LEU . 0.3 OUTLIER -60.84 -36.44 79.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 50.51 111.143 178.619 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -69.98 -42.33 73.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.276 -0.42 . . . . 50.51 111.19 176.044 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -65.17 -27.85 68.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 50.62 111.194 178.695 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -96.49 6.18 49.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 50.51 111.186 179.561 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 41.41 55.95 3.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 50.64 111.239 -178.08 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.454 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 99.3 t -67.56 121.98 81.39 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 50.51 111.121 -179.516 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' ' 30' ' ' VAL . 50.1 Cg_exo -54.96 142.25 76.57 Favored 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 121.725 1.617 . . . . 50.51 111.22 -177.344 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 95.2 p -66.85 -17.75 65.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 50.51 111.215 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -87.45 -11.17 49.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.18 -0.464 . . . . 50.55 111.202 179.408 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -77.48 144.85 37.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 50.51 111.244 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 83.4 p -78.56 166.85 22.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 50.51 111.211 178.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 76.6 t-105 -58.57 -44.74 89.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 50.51 111.222 176.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -53.49 -46.23 69.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 50.62 111.199 177.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -68.5 -40.03 81.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 50.55 111.21 179.503 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -55.67 -37.66 68.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 50.51 111.199 177.114 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 34.9 mmt -74.38 -42.22 59.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 50.51 111.226 178.436 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -59.44 -29.42 67.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 50.51 111.188 179.275 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 91.6 mtp -73.31 -20.04 60.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 50.51 111.201 -177.627 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 47.1 pt -109.34 -13.53 10.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 50.51 111.177 178.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 79.7 mt -79.86 -42.78 22.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 50.51 111.196 174.488 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -70.4 -20.64 62.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 50.55 111.219 177.218 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.425 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 67.2 t0 -88.49 108.47 22.74 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 50.62 111.174 178.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 46' ' ' ASP . 77.5 Cg_exo -55.02 -26.53 50.13 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 121.684 1.589 . . . . 50.51 111.174 -175.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -60.03 -28.98 68.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 50.64 111.251 -178.069 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -115.74 30.83 7.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 50.51 111.222 -179.288 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 93.4 p -59.17 -24.58 63.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 50.51 111.163 177.585 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.68 -35.64 81.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 50.51 111.197 175.819 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 90.5 mt -78.63 -31.21 46.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 50.51 111.259 177.738 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.65 -41.59 81.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 50.51 111.218 173.577 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.8 mttt . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 50.51 111.223 175.605 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.773 0.32 . . . . 50.51 111.141 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -63.12 -42.78 99.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 50.51 111.188 176.6 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -60.37 -40.3 90.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 50.55 111.223 177.376 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.88 -41.99 98.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 50.51 111.167 176.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -60.55 -45.42 93.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 50.51 111.227 177.364 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.5 -44.8 95.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 50.51 111.144 -178.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -63.78 -40.24 96.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 50.62 111.21 179.695 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.0 -39.55 93.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 50.51 111.228 177.347 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.42 HD12 ' HA ' ' A' ' 25' ' ' LEU . 0.9 OUTLIER -62.49 -36.83 83.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 50.51 111.171 177.928 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -67.64 -42.41 82.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 50.51 111.185 175.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -62.82 -31.41 72.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 50.62 111.192 178.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.403 ' HA ' ' HD2' ' A' ' 28' ' ' LYS . 29.2 mmmt -98.84 10.7 40.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 50.51 111.248 -179.402 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 39.96 55.57 2.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 50.64 111.209 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.404 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 95.5 t -70.24 121.66 83.88 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 50.51 111.167 -179.614 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 30' ' ' VAL . 52.4 Cg_exo -54.91 143.85 70.14 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 121.671 1.581 . . . . 50.51 111.197 -176.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 95.5 p -68.73 -16.47 63.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 50.51 111.238 179.44 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -94.94 -0.26 54.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 50.55 111.215 179.203 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -81.43 145.03 30.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 50.51 111.153 178.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 83.2 p -73.8 170.6 14.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 50.51 111.141 179.211 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 31.2 t-105 -63.39 -40.91 98.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 50.51 111.212 176.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -57.28 -47.54 81.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.483 . . . . 50.62 111.183 175.644 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 72.3 tp60 -62.82 -43.08 99.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 50.55 111.152 177.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -55.0 -42.58 72.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.224 -0.444 . . . . 50.51 111.222 179.181 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 78.0 mtm -67.44 -46.51 72.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 50.51 111.21 178.802 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -57.69 -33.73 68.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 50.51 111.158 -178.678 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 92.2 mmm -62.88 -34.46 77.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 50.51 111.236 179.538 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 41.1 pt -98.89 -13.23 8.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 50.51 111.244 -176.365 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 71.0 mt -73.67 -34.92 42.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 50.51 111.223 174.046 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -72.67 -16.92 61.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 50.55 111.225 177.658 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.401 ' HA ' ' HD2' ' A' ' 47' ' ' PRO . 67.2 t0 -92.05 109.53 38.05 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 50.62 111.209 178.29 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 46' ' ' ASP . 41.9 Cg_endo -59.72 -19.78 55.25 Favored 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 121.759 1.639 . . . . 50.51 111.199 -175.47 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 85.0 mtm180 -67.6 -25.75 65.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 50.64 111.248 -178.476 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 -115.06 33.17 5.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 50.51 111.202 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 91.8 p -58.19 -25.99 62.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 50.51 111.187 177.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.66 -40.68 97.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 50.51 111.231 176.46 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.4 mt -74.07 -33.24 63.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 50.51 111.266 176.293 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.26 -40.75 91.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 50.51 111.218 176.234 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.8 mttt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 50.51 111.242 176.665 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.867 0.365 . . . . 50.51 111.219 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -66.17 -33.2 75.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 50.51 111.169 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 72.3 tp60 -61.02 -49.13 78.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 50.55 111.145 176.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.81 -36.58 84.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.306 -0.406 . . . . 50.51 111.139 177.628 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 18.2 m-30 -59.88 -46.39 89.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 50.51 111.26 175.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -61.69 -38.59 88.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 50.51 111.189 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -59.81 -47.47 85.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 50.62 111.193 177.231 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.0 -35.67 81.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 50.51 111.211 176.681 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.457 HD12 ' HA ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -62.49 -36.99 84.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 50.51 111.146 178.879 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -67.41 -42.64 82.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.21 -0.45 . . . . 50.51 111.151 175.664 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -62.51 -32.0 72.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 50.62 111.2 177.789 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.683 ' HA ' ' HE2' ' A' ' 28' ' ' LYS . 10.2 mmpt? -96.55 12.02 33.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 50.51 111.15 -179.285 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 40.01 55.08 2.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 50.64 111.138 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.474 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 98.9 t -73.88 120.02 79.11 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 50.51 111.197 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.474 ' HD3' ' HA ' ' A' ' 30' ' ' VAL . 63.9 Cg_exo -55.06 145.03 66.21 Favored 'Trans proline' 0 N--CA 1.457 -0.634 0 C-N-CA 121.708 1.605 . . . . 50.51 111.208 -176.49 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 94.9 p -67.71 -15.55 63.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.454 . . . . 50.51 111.166 178.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -93.04 -3.15 54.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 50.55 111.268 179.476 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.17 145.04 33.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.088 -0.505 . . . . 50.51 111.222 178.308 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 68.3 p -76.76 164.01 26.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.442 . . . . 50.51 111.206 -179.19 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 77.0 t-105 -56.11 -46.25 79.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.259 -0.428 . . . . 50.51 111.204 176.842 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -56.61 -48.06 78.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 50.62 111.176 178.407 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -61.84 -38.01 86.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 50.55 111.271 179.322 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.05 -39.53 94.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 50.51 111.128 177.657 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 37.1 mmt -68.68 -35.2 76.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 50.51 111.242 178.078 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -62.48 -36.75 83.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 50.51 111.203 177.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 97.7 mmm -63.54 -39.08 93.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 50.51 111.174 176.615 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 91.1 mt -65.9 -40.76 88.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 50.51 111.144 175.726 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 94.8 mt -64.98 -41.88 93.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 50.51 111.224 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -64.82 -29.96 70.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 50.55 111.187 -176.131 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.412 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 66.8 t0 -91.58 107.13 19.8 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 50.62 111.192 -178.843 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 46' ' ' ASP . 65.7 Cg_exo -56.37 -26.23 61.34 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 121.746 1.63 . . . . 50.51 111.131 -177.275 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -62.03 -27.02 68.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.439 . . . . 50.64 111.233 -177.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -115.02 29.41 8.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 50.51 111.179 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 95.6 p -60.34 -25.45 65.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 50.51 111.217 178.244 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.1 -37.66 88.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 50.51 111.167 175.349 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 90.3 mt -76.15 -32.81 59.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 50.51 111.238 176.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.27 -41.76 85.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 50.51 111.186 174.121 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.7 mttt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 50.51 111.286 175.267 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.739 0.304 . . . . 50.51 111.198 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -60.7 -40.66 93.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 50.51 111.185 178.173 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 72.7 tp60 -62.14 -42.08 98.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 50.55 111.26 176.148 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.13 -36.09 82.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 50.51 111.167 177.722 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -62.97 -42.13 99.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 50.51 111.138 176.639 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -65.97 -38.95 89.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 50.51 111.238 178.348 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -63.23 -45.02 93.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 50.62 111.173 178.257 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.1 -40.54 94.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 50.51 111.278 177.581 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.563 ' C ' HD23 ' A' ' 25' ' ' LEU . 8.1 tt -54.03 -45.16 71.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 50.51 111.181 176.253 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -69.58 -37.84 77.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 50.51 111.217 177.788 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -61.54 -32.56 72.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 50.62 111.196 178.806 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.657 ' HA ' ' HE2' ' A' ' 28' ' ' LYS . 10.9 mmpt? -95.08 10.83 34.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 50.51 111.256 179.376 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 39.9 54.9 2.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 50.64 111.219 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.452 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 93.9 t -73.24 119.6 76.6 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 50.51 111.22 179.382 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 30' ' ' VAL . 52.8 Cg_exo -55.04 144.96 66.3 Favored 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 121.764 1.643 . . . . 50.51 111.176 -176.253 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 94.6 p -65.47 -17.84 64.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 50.51 111.2 179.197 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -84.41 -11.54 56.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 50.55 111.217 179.333 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -77.06 145.27 38.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 50.51 111.18 179.181 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 81.8 p -73.78 169.01 18.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 50.51 111.203 -179.276 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 90.0 t90 -59.39 -46.36 88.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 50.51 111.174 176.757 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -61.02 -40.68 94.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.252 -0.431 . . . . 50.62 111.182 178.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 72.9 tp60 -60.07 -42.19 94.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 50.55 111.203 177.255 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.41 -42.78 99.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 50.51 111.242 176.747 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 39.2 mmt -63.27 -37.03 85.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 50.51 111.215 179.145 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -66.88 -41.99 86.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 50.51 111.177 179.024 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 92.9 mmm -59.84 -35.06 73.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 50.51 111.215 177.713 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 96.5 mt -75.08 -46.0 40.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 50.51 111.165 178.493 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 84.3 mt -58.22 -39.75 74.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 50.51 111.287 -179.376 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -63.8 -21.49 66.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 50.55 111.182 -177.299 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -91.03 109.96 38.87 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 50.62 111.229 -179.224 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_exo -56.54 -26.15 62.48 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 121.748 1.632 . . . . 50.51 111.213 -177.363 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -63.15 -24.92 68.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 50.64 111.188 -178.813 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 -114.96 35.09 4.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 50.51 111.176 178.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 92.1 p -59.31 -24.66 63.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 50.51 111.224 177.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.01 -45.47 85.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 50.51 111.151 174.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 78.5 mt -66.51 -34.18 77.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 50.51 111.213 177.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.55 -31.69 62.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 50.51 111.142 176.794 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.6 mttt . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.257 -0.429 . . . . 50.51 111.19 178.187 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.804 0.335 . . . . 50.51 111.213 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -65.12 -38.19 89.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 50.51 111.174 178.703 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 72.3 tp60 -64.33 -44.75 90.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 50.55 111.155 178.473 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.0 -37.75 88.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 50.51 111.182 178.7 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -60.58 -49.26 78.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 50.51 111.199 175.601 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -64.98 -30.17 71.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 50.51 111.244 -179.626 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -61.0 -53.99 50.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 50.62 111.184 176.567 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.06 -34.98 79.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.424 . . . . 50.51 111.163 177.099 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.486 ' C ' HD23 ' A' ' 25' ' ' LEU . 9.7 tt -52.96 -52.02 59.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 50.51 111.21 176.287 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -67.7 -40.76 84.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 50.51 111.188 179.153 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -68.75 -19.47 64.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 50.62 111.187 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.596 ' HE3' ' HA ' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -92.67 -0.01 57.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 50.51 111.27 178.055 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 58.36 42.03 22.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 50.64 111.143 -179.451 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.443 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 91.7 t -73.81 125.02 90.7 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 116.244 -0.435 . . . . 50.51 111.155 178.753 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 30' ' ' VAL . 51.9 Cg_exo -55.05 144.0 70.99 Favored 'Trans proline' 0 N--CA 1.458 -0.565 0 C-N-CA 121.67 1.58 . . . . 50.51 111.207 -178.276 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 94.6 p -68.22 -14.94 63.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 50.51 111.195 -179.005 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -92.31 -1.16 57.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 50.55 111.178 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -83.15 144.93 29.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 50.51 111.19 179.055 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 61.1 p -76.58 171.33 14.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 50.51 111.245 179.25 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 79.3 t90 -58.74 -43.71 90.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 50.51 111.174 176.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -66.56 -41.38 88.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 50.62 111.227 -179.141 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -64.88 -38.76 92.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 50.55 111.244 178.179 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.65 -45.09 95.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.483 . . . . 50.51 111.202 174.128 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 64.0 ttp -57.7 -45.04 86.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 50.51 111.134 177.103 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -59.4 -44.33 92.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.25 -0.432 . . . . 50.51 111.227 -179.327 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 97.7 mtp -62.71 -40.08 96.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 50.51 111.221 178.346 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 92.3 mt -63.77 -40.55 89.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.153 -0.476 . . . . 50.51 111.196 176.722 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 91.8 mt -64.25 -40.85 90.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 50.51 111.214 178.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -62.28 -25.93 68.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 50.55 111.255 -177.249 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.413 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 65.0 t0 -91.67 105.37 12.97 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 50.62 111.202 179.644 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 46' ' ' ASP . 71.2 Cg_exo -55.06 -30.18 68.93 Favored 'Trans proline' 0 N--CA 1.458 -0.565 0 C-N-CA 121.708 1.605 . . . . 50.51 111.155 -176.284 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -64.99 -29.89 70.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 50.64 111.128 -177.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 16.2 m-30 -100.1 23.31 10.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 50.51 111.228 -178.318 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 95.2 p -59.7 -25.0 64.42 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.118 -0.492 . . . . 50.51 111.223 -179.639 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.3 -34.87 75.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 50.51 111.136 176.715 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -88.12 -30.21 20.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 50.51 111.255 178.489 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.07 -40.87 77.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 50.51 111.218 174.291 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.4 mttt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 50.51 111.262 177.628 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.71 0.29 . . . . 50.51 111.155 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -64.14 -36.85 85.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.258 -0.428 . . . . 50.51 111.18 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 65.7 tp60 -60.61 -48.6 81.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 50.55 111.197 178.045 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.25 -38.32 90.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 50.51 111.204 179.156 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 20.8 m-30 -63.7 -46.03 87.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 50.51 111.236 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -65.01 -42.5 94.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.458 . . . . 50.51 111.236 -178.341 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -65.6 -40.4 92.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 50.62 111.228 -179.606 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.96 -42.99 94.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 50.51 111.17 175.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.607 ' C ' HD23 ' A' ' 25' ' ' LEU . 6.8 tt -55.67 -44.61 77.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 50.51 111.246 176.73 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -67.71 -39.01 84.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.426 . . . . 50.51 111.189 178.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -61.13 -37.33 82.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 50.62 111.225 178.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -91.78 4.09 53.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 50.51 111.142 178.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 40.57 55.16 2.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 50.64 111.18 -178.718 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.431 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 88.5 t -65.67 123.59 85.07 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.436 . . . . 50.51 111.223 -178.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 30' ' ' VAL . 53.8 Cg_exo -55.11 144.94 67.18 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 121.678 1.585 . . . . 50.51 111.141 -176.812 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 94.7 p -67.52 -16.07 64.0 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.23 -0.441 . . . . 50.51 111.135 179.212 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -89.76 -4.75 57.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.451 . . . . 50.55 111.269 179.524 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -76.25 145.01 40.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 50.51 111.186 178.361 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 80.9 p -71.34 165.0 24.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 50.51 111.263 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 91.3 t90 -56.92 -45.04 82.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 50.51 111.168 177.339 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.43 -43.22 98.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.232 -0.44 . . . . 50.62 111.194 179.255 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 72.8 tp60 -57.83 -43.32 85.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 50.55 111.27 177.756 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.77 -45.28 94.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 50.51 111.158 177.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 96.7 mmm -63.18 -34.56 77.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 50.51 111.167 -179.536 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -64.73 -43.55 93.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.429 . . . . 50.51 111.168 176.734 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 99.7 mmm -65.1 -34.94 79.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 50.51 111.142 177.033 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 88.7 mt -64.21 -45.06 97.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.221 -0.445 . . . . 50.51 111.166 176.396 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 93.4 mt -64.99 -36.07 76.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 50.51 111.172 177.394 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -78.01 -2.86 39.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 50.55 111.092 -178.345 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.461 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 68.4 t0 -89.56 101.36 3.15 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.254 -0.43 . . . . 50.62 111.165 177.355 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 46' ' ' ASP . 72.1 Cg_exo -54.36 -29.45 58.26 Favored 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.715 1.61 . . . . 50.51 111.258 -174.688 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -63.58 -32.45 73.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 50.64 111.225 -176.354 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 99.7 m-85 -124.0 4.96 8.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 50.51 111.169 -177.137 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 91.3 p -60.3 -27.39 67.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 50.51 111.177 179.672 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.09 -26.99 69.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 50.51 111.205 179.427 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 93.1 mt -103.23 -30.9 10.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 50.51 111.243 -179.345 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.81 -33.83 76.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 50.51 111.197 178.42 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.2 mttt . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 50.51 111.185 179.228 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 8.9 m95 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.81 0.338 . . . . 50.51 111.192 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -98.77 -7.06 28.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 50.55 111.23 179.399 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 85.8 m -124.28 131.83 53.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 50.51 111.219 -178.275 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -61.45 -40.87 96.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 50.51 111.237 -178.13 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -64.06 -41.47 97.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 50.62 111.152 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -66.09 -35.66 81.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 50.62 111.205 177.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.46 -44.18 97.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 50.51 111.177 175.077 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -61.53 -38.67 88.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 50.51 111.23 178.04 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 72.5 tp60 -61.56 -44.29 97.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 50.55 111.251 176.542 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.34 -38.81 88.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 50.51 111.201 177.154 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 18.3 m-30 -61.44 -46.73 88.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 50.51 111.197 177.152 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -60.48 -39.93 89.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 50.51 111.191 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -60.2 -47.0 87.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 50.62 111.187 177.405 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.87 -35.08 79.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 50.51 111.171 177.34 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.46 HD12 ' HA ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -63.13 -37.63 87.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 50.51 111.2 178.055 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -66.31 -41.78 89.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 50.51 111.192 174.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -65.03 -29.42 70.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 50.62 111.192 177.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.529 ' HA ' ' HE2' ' A' ' 28' ' ' LYS . 10.5 mmpt? -95.01 8.55 42.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 50.51 111.204 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 46.6 52.31 11.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 50.64 111.22 178.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.457 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 98.1 t -74.7 120.83 83.44 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 50.51 111.216 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' ' 30' ' ' VAL . 53.2 Cg_exo -55.06 143.47 73.59 Favored 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 121.676 1.584 . . . . 50.51 111.22 -178.315 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 94.5 p -66.64 -17.02 64.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 50.51 111.176 178.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -94.94 -0.44 53.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 50.55 111.245 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -80.89 144.95 31.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 50.51 111.171 178.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 78.9 p -75.26 164.83 26.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 50.51 111.249 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 76.1 t-105 -57.15 -43.22 82.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 50.51 111.227 177.354 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -58.76 -48.07 82.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 50.62 111.161 178.539 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -63.86 -35.0 79.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 50.55 111.199 178.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.32 -40.21 95.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 50.51 111.185 177.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 36.4 mmt -70.89 -36.24 72.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 50.51 111.197 -179.565 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -54.37 -28.77 45.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.482 . . . . 50.51 111.167 178.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.41 ' HG3' HG22 ' A' ' 30' ' ' VAL . 99.6 mmm -71.05 -28.81 64.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 50.51 111.188 -177.826 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 47.3 pt -102.79 -9.33 9.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 50.51 111.156 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 92.1 mt -83.21 -43.87 18.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 50.51 111.229 174.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -74.85 -17.55 60.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 50.55 111.189 179.266 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.483 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 66.8 t0 -98.41 107.5 42.4 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 50.62 111.173 -179.784 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.483 ' HD3' ' HA ' ' A' ' 46' ' ' ASP . 53.2 Cg_exo -55.97 -25.58 54.25 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 121.668 1.579 . . . . 50.51 111.164 -176.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -61.96 -28.48 69.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 50.64 111.159 -177.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -114.91 22.17 13.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 50.51 111.245 -179.413 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 96.7 p -57.9 -28.26 64.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 50.51 111.168 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.15 -36.97 85.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.429 . . . . 50.51 111.228 176.475 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 97.8 mt -79.85 -30.75 40.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 50.51 111.227 178.323 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.33 -39.13 89.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 50.51 111.201 175.247 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -77.37 -38.12 50.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 50.51 111.17 175.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 46.0 tp -59.19 -35.46 73.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 50.51 111.202 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 54.6 p -64.14 -19.17 65.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.468 . . . . 50.51 111.184 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -95.8 -30.28 13.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 50.62 111.166 175.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -72.03 -25.07 61.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 50.51 111.182 177.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 50.51 111.2 -179.158 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 44.5 m95 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.839 0.352 . . . . 50.51 111.193 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -89.47 -28.8 19.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 50.55 111.237 -178.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 91.4 m -126.05 121.47 33.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 50.51 111.24 -179.691 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -62.8 -35.87 81.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 50.51 111.2 -178.164 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -63.27 -42.91 99.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 50.62 111.16 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -69.28 -36.4 77.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 50.62 111.161 178.543 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.8 -45.48 93.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 50.51 111.212 177.449 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -66.16 -39.32 89.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 50.51 111.19 179.581 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 71.6 tp60 -61.14 -44.27 97.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 50.55 111.19 176.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.17 -38.7 90.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.267 -0.424 . . . . 50.51 111.256 177.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.403 ' HA ' HD13 ' A' ' 52' ' ' LEU . 77.2 t80 -60.67 -46.61 89.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 50.51 111.192 177.279 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -63.11 -37.96 89.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 50.51 111.188 179.349 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -64.99 -42.48 94.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.245 -0.434 . . . . 50.62 111.246 177.371 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.97 -36.6 84.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 50.51 111.202 177.518 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.416 HD12 ' HA ' ' A' ' 25' ' ' LEU . 0.7 OUTLIER -57.6 -43.95 85.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 50.51 111.237 175.372 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -63.73 -39.58 94.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 50.51 111.203 175.644 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 49.4 tp10 -64.0 -30.11 71.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 50.62 111.22 178.382 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.7 mmmt -96.46 5.29 51.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 50.51 111.174 -178.326 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 57.14 44.22 22.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 50.64 111.211 178.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.502 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 93.8 t -75.66 123.12 88.29 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 50.51 111.134 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.502 ' HD3' ' HA ' ' A' ' 30' ' ' VAL . 53.2 Cg_exo -56.15 143.18 85.3 Favored 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 121.739 1.626 . . . . 50.51 111.197 -178.142 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 96.4 p -67.57 -16.36 64.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.307 -0.406 . . . . 50.51 111.209 179.275 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 73.5 m-80 -98.57 5.34 47.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 50.55 111.226 179.231 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.56 144.99 43.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 50.51 111.179 179.295 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 82.9 p -75.06 170.27 16.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 50.51 111.178 179.176 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 92.4 t90 -60.4 -44.58 95.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 50.51 111.178 176.699 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.89 -39.96 96.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 50.62 111.205 179.194 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -63.11 -51.02 68.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 50.55 111.167 178.104 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.63 -36.45 78.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 50.51 111.258 178.58 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 54.5 ttp -60.44 -53.43 57.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 50.51 111.111 177.686 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -60.6 -35.89 77.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 50.51 111.151 -177.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 92.6 mmm -59.44 -25.91 64.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.421 . . . . 50.51 111.194 178.026 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 47.1 mm -89.48 -41.4 13.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.462 . . . . 50.51 111.149 177.67 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 97.1 mt -57.14 -36.31 51.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 50.51 111.258 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -74.14 -9.97 59.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 50.55 111.254 -175.568 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -116.41 101.4 53.75 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 50.62 111.246 -178.622 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -55.08 -25.07 43.42 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 121.683 1.589 . . . . 50.51 111.137 -177.086 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 -48.4 -38.24 19.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.287 -0.415 . . . . 50.64 111.21 179.287 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -115.33 39.54 2.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 50.51 111.225 -177.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 93.5 p -55.58 -28.5 55.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 50.51 111.191 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.68 -39.8 94.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 50.51 111.209 177.63 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' A' ' 21' ' ' PHE . 84.8 mt -74.89 -31.73 61.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 50.51 111.235 177.765 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.27 -38.16 85.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 50.51 111.249 173.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -75.61 -33.88 60.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 50.51 111.184 175.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 64.2 tp -53.95 -44.86 71.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 50.51 111.21 176.382 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 73.3 p -65.07 -17.95 64.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 50.51 111.218 -179.105 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -89.4 -11.12 44.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 50.62 111.223 -179.618 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -72.1 140.02 48.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 50.51 111.239 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 87.7 tttt . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 50.51 111.209 -179.865 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.728 0.299 . . . . 50.51 111.169 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -64.98 -27.37 68.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 50.55 111.198 -177.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.417 ' H ' ' HB2' ' A' ' 16' ' ' GLU . 42.0 p -123.95 175.06 7.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 50.51 111.234 179.683 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -63.0 -42.74 99.93 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.195 -0.457 . . . . 50.51 111.184 178.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -65.23 -41.27 94.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 50.62 111.193 178.641 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.417 ' HB2' ' H ' ' A' ' 13' ' ' THR . 45.2 mt-10 -61.71 -41.55 97.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 50.62 111.142 177.534 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.86 -42.24 95.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.25 -0.432 . . . . 50.51 111.157 -179.232 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -64.27 -45.95 85.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 50.51 111.244 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -67.73 -45.57 74.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 50.55 111.202 -179.604 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.46 -33.29 75.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 50.51 111.186 178.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.41 ' HA ' HD13 ' A' ' 52' ' ' LEU . 86.8 t80 -64.0 -48.82 74.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 50.51 111.218 177.412 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -60.63 -38.62 85.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.283 -0.417 . . . . 50.51 111.106 178.28 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -66.9 -42.61 85.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 50.62 111.164 177.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.14 -35.01 79.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 50.51 111.173 178.355 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.449 HD12 ' HA ' ' A' ' 25' ' ' LEU . 0.5 OUTLIER -55.32 -44.04 75.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 50.51 111.157 175.719 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -66.31 -40.48 89.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 50.51 111.256 176.167 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -64.96 -25.25 67.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 50.62 111.247 178.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.431 ' HD2' ' HA ' ' A' ' 28' ' ' LYS . 26.3 mmmt -99.91 7.45 44.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 50.51 111.202 -178.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 55.21 39.92 31.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 50.64 111.19 178.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.422 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 98.9 t -69.91 122.8 87.19 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 50.51 111.249 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 30' ' ' VAL . 52.5 Cg_exo -55.02 140.64 80.01 Favored 'Trans proline' 0 N--CA 1.457 -0.63 0 C-N-CA 121.783 1.655 . . . . 50.51 111.144 -178.05 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 95.9 p -67.34 -17.52 64.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 50.51 111.134 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -95.79 3.12 54.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.257 -0.429 . . . . 50.55 111.183 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.77 143.81 43.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 50.51 111.149 179.439 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 80.1 p -73.36 173.22 9.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 50.51 111.187 179.283 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 92.1 t90 -60.74 -45.23 95.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 50.51 111.241 176.666 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -64.47 -41.16 96.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.176 -0.466 . . . . 50.62 111.192 179.748 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -63.86 -45.92 87.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 50.55 111.237 178.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.44 -37.54 86.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 50.51 111.218 178.689 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 60.8 tpp -65.14 -45.96 82.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 50.51 111.2 178.328 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -61.46 -36.93 81.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 50.51 111.131 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 91.8 mmm -59.69 -25.38 64.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 50.51 111.207 177.415 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 43.5 mm -89.65 -41.27 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 50.51 111.239 177.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 98.0 mt -55.73 -39.38 55.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 50.51 111.232 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -64.9 -25.04 67.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.482 . . . . 50.55 111.178 -177.065 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.476 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 65.8 t0 -97.81 104.57 22.18 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.127 -0.488 . . . . 50.62 111.229 -178.196 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' A' ' 46' ' ' ASP . 76.7 Cg_exo -55.99 -26.67 60.06 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.729 1.619 . . . . 50.51 111.198 -176.687 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 48.1 ttp180 -54.79 -32.39 60.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 50.64 111.214 -178.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -112.38 34.77 4.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.27 -0.423 . . . . 50.51 111.162 -177.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 93.9 p -55.09 -30.48 59.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.264 -0.425 . . . . 50.51 111.173 178.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.64 -36.4 82.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 50.51 111.249 176.524 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.41 HD13 ' HA ' ' A' ' 21' ' ' PHE . 96.5 mt -81.91 -26.83 33.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 50.51 111.173 179.602 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.53 -26.58 65.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.288 -0.414 . . . . 50.51 111.161 176.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -64.12 -20.07 65.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 50.51 111.242 -179.103 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.3 mt -64.49 -20.77 66.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 50.51 111.165 -179.195 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 80.7 p -64.9 -21.6 66.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.276 -0.42 . . . . 50.51 111.171 177.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -103.99 -33.99 8.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 50.62 111.238 177.343 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -69.5 -23.15 63.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 50.51 111.206 179.01 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.435 ' HG2' ' O ' ' A' ' 59' ' ' LYS . 87.4 tttt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 50.51 111.187 179.647 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.571 ' CD1' ' N ' ' A' ' 11' ' ' TRP . 1.8 m0 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.877 0.37 . . . . 50.51 111.242 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -69.88 -29.85 67.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 50.55 111.146 -178.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 44.3 p -116.07 166.42 12.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 50.51 111.209 179.501 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -60.91 -33.62 73.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 50.51 111.215 177.221 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -67.24 -46.74 72.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 50.62 111.145 178.686 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -63.5 -36.24 83.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.436 . . . . 50.62 111.221 178.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.34 -44.18 95.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 50.51 111.235 177.023 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -64.79 -35.54 81.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 50.51 111.188 178.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -64.22 -44.61 91.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 50.55 111.197 178.127 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.07 -39.58 92.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 50.51 111.213 176.378 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 17.2 m-30 -60.56 -46.58 89.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 50.51 111.171 177.313 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.48 -40.45 94.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 50.51 111.262 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -58.39 -47.67 83.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 50.62 111.204 177.697 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.04 -37.25 86.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 50.51 111.205 177.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.454 HD12 ' HA ' ' A' ' 25' ' ' LEU . 0.3 OUTLIER -60.84 -36.44 79.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 50.51 111.143 178.619 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -69.98 -42.33 73.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.276 -0.42 . . . . 50.51 111.19 176.044 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -65.17 -27.85 68.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 50.62 111.194 178.695 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -96.49 6.18 49.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 50.51 111.186 179.561 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 41.41 55.95 3.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 50.64 111.239 -178.08 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.454 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 99.3 t -67.56 121.98 81.39 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 50.51 111.121 -179.516 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' ' 30' ' ' VAL . 50.1 Cg_exo -54.96 142.25 76.57 Favored 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 121.725 1.617 . . . . 50.51 111.22 -177.344 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 95.2 p -66.85 -17.75 65.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 50.51 111.215 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -87.45 -11.17 49.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.18 -0.464 . . . . 50.55 111.202 179.408 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -77.48 144.85 37.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 50.51 111.244 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 83.4 p -78.56 166.85 22.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 50.51 111.211 178.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 76.6 t-105 -58.57 -44.74 89.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 50.51 111.222 176.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -53.49 -46.23 69.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 50.62 111.199 177.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -68.5 -40.03 81.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 50.55 111.21 179.503 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -55.67 -37.66 68.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 50.51 111.199 177.114 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 34.9 mmt -74.38 -42.22 59.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 50.51 111.226 178.436 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -59.44 -29.42 67.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 50.51 111.188 179.275 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 91.6 mtp -73.31 -20.04 60.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 50.51 111.201 -177.627 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 47.1 pt -109.34 -13.53 10.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 50.51 111.177 178.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 79.7 mt -79.86 -42.78 22.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 50.51 111.196 174.488 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -70.4 -20.64 62.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 50.55 111.219 177.218 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.425 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 67.2 t0 -88.49 108.47 22.74 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 50.62 111.174 178.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 46' ' ' ASP . 77.5 Cg_exo -55.02 -26.53 50.13 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 121.684 1.589 . . . . 50.51 111.174 -175.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -60.03 -28.98 68.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 50.64 111.251 -178.069 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -115.74 30.83 7.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 50.51 111.222 -179.288 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 93.4 p -59.17 -24.58 63.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 50.51 111.163 177.585 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.68 -35.64 81.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 50.51 111.197 175.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 90.5 mt -78.63 -31.21 46.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 50.51 111.259 177.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.65 -41.59 81.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 50.51 111.218 173.577 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -74.54 -35.06 63.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 50.51 111.223 175.605 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 56.8 tp -59.95 -36.4 77.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 50.51 111.206 -179.152 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 60.5 p -62.72 -17.16 60.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 50.51 111.162 -179.488 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -101.69 -33.78 9.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 50.62 111.145 176.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -68.65 -29.99 68.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 50.51 111.25 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 50.51 111.162 -178.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.725 0.298 . . . . 50.51 111.224 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -69.16 -44.61 71.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 50.55 111.225 178.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 53.5 p -132.11 174.99 9.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 50.51 111.203 178.493 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -61.28 -33.96 74.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 50.51 111.221 176.11 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -69.08 -32.26 71.58 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.215 -0.448 . . . . 50.62 111.187 178.675 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -67.57 -38.67 84.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 50.62 111.214 175.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.32 -39.17 93.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 50.51 111.141 174.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -63.12 -42.78 99.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 50.51 111.188 176.6 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -60.37 -40.3 90.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 50.55 111.223 177.376 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.88 -41.99 98.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 50.51 111.167 176.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -60.55 -45.42 93.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 50.51 111.227 177.364 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.5 -44.8 95.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 50.51 111.144 -178.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -63.78 -40.24 96.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 50.62 111.21 179.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.0 -39.55 93.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 50.51 111.228 177.347 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.42 HD12 ' HA ' ' A' ' 25' ' ' LEU . 0.9 OUTLIER -62.49 -36.83 83.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 50.51 111.171 177.928 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -67.64 -42.41 82.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 50.51 111.185 175.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -62.82 -31.41 72.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 50.62 111.192 178.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.403 ' HA ' ' HD2' ' A' ' 28' ' ' LYS . 29.2 mmmt -98.84 10.7 40.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 50.51 111.248 -179.402 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 39.96 55.57 2.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 50.64 111.209 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.404 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 95.5 t -70.24 121.66 83.88 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 50.51 111.167 -179.614 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 30' ' ' VAL . 52.4 Cg_exo -54.91 143.85 70.14 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 121.671 1.581 . . . . 50.51 111.197 -176.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 95.5 p -68.73 -16.47 63.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 50.51 111.238 179.44 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -94.94 -0.26 54.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 50.55 111.215 179.203 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -81.43 145.03 30.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 50.51 111.153 178.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 83.2 p -73.8 170.6 14.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 50.51 111.141 179.211 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 31.2 t-105 -63.39 -40.91 98.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 50.51 111.212 176.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -57.28 -47.54 81.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.483 . . . . 50.62 111.183 175.644 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 72.3 tp60 -62.82 -43.08 99.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 50.55 111.152 177.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -55.0 -42.58 72.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.224 -0.444 . . . . 50.51 111.222 179.181 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 78.0 mtm -67.44 -46.51 72.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 50.51 111.21 178.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -57.69 -33.73 68.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 50.51 111.158 -178.678 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 92.2 mmm -62.88 -34.46 77.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 50.51 111.236 179.538 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 41.1 pt -98.89 -13.23 8.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 50.51 111.244 -176.365 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 71.0 mt -73.67 -34.92 42.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 50.51 111.223 174.046 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -72.67 -16.92 61.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 50.55 111.225 177.658 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.401 ' HA ' ' HD2' ' A' ' 47' ' ' PRO . 67.2 t0 -92.05 109.53 38.05 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 50.62 111.209 178.29 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 46' ' ' ASP . 41.9 Cg_endo -59.72 -19.78 55.25 Favored 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 121.759 1.639 . . . . 50.51 111.199 -175.47 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 85.0 mtm180 -67.6 -25.75 65.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 50.64 111.248 -178.476 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 -115.06 33.17 5.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 50.51 111.202 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 91.8 p -58.19 -25.99 62.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 50.51 111.187 177.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.66 -40.68 97.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 50.51 111.231 176.46 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.4 mt -74.07 -33.24 63.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 50.51 111.266 176.293 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.26 -40.75 91.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 50.51 111.218 176.234 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -74.08 -40.75 62.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 50.51 111.242 176.665 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 60.5 tp -57.1 -39.27 74.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 50.51 111.133 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 56.3 p -62.34 -19.92 63.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.221 -0.445 . . . . 50.51 111.221 -179.541 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -95.99 -31.16 13.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 50.62 111.154 176.68 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -65.12 -34.91 79.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.278 -0.419 . . . . 50.51 111.198 178.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.563 ' O ' ' HG3' ' A' ' 59' ' ' LYS . 55.1 tptt . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.256 -0.429 . . . . 50.51 111.155 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.528 ' CD1' ' N ' ' A' ' 11' ' ' TRP . 5.8 m0 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.809 0.338 . . . . 50.51 111.19 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -81.87 -17.4 47.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 50.55 111.199 -178.406 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 44.1 p -125.03 168.98 12.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 50.51 111.162 179.046 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -65.24 -33.18 75.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 50.51 111.231 177.577 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -69.08 -44.05 73.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 50.62 111.232 178.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -66.6 -37.7 85.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.265 -0.425 . . . . 50.62 111.174 178.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.38 -48.96 75.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.253 -0.431 . . . . 50.51 111.219 177.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -66.17 -33.2 75.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 50.51 111.169 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 72.3 tp60 -61.02 -49.13 78.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 50.55 111.145 176.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.81 -36.58 84.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.306 -0.406 . . . . 50.51 111.139 177.628 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 18.2 m-30 -59.88 -46.39 89.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 50.51 111.26 175.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -61.69 -38.59 88.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 50.51 111.189 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -59.81 -47.47 85.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 50.62 111.193 177.231 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.0 -35.67 81.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 50.51 111.211 176.681 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.457 HD12 ' HA ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -62.49 -36.99 84.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 50.51 111.146 178.879 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -67.41 -42.64 82.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.21 -0.45 . . . . 50.51 111.151 175.664 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -62.51 -32.0 72.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 50.62 111.2 177.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.683 ' HA ' ' HE2' ' A' ' 28' ' ' LYS . 10.2 mmpt? -96.55 12.02 33.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 50.51 111.15 -179.285 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 40.01 55.08 2.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 50.64 111.138 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.474 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 98.9 t -73.88 120.02 79.11 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 50.51 111.197 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.474 ' HD3' ' HA ' ' A' ' 30' ' ' VAL . 63.9 Cg_exo -55.06 145.03 66.21 Favored 'Trans proline' 0 N--CA 1.457 -0.634 0 C-N-CA 121.708 1.605 . . . . 50.51 111.208 -176.49 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 94.9 p -67.71 -15.55 63.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.454 . . . . 50.51 111.166 178.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -93.04 -3.15 54.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 50.55 111.268 179.476 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.17 145.04 33.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.088 -0.505 . . . . 50.51 111.222 178.308 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 68.3 p -76.76 164.01 26.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.442 . . . . 50.51 111.206 -179.19 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 77.0 t-105 -56.11 -46.25 79.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.259 -0.428 . . . . 50.51 111.204 176.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -56.61 -48.06 78.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 50.62 111.176 178.407 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -61.84 -38.01 86.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 50.55 111.271 179.322 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.05 -39.53 94.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 50.51 111.128 177.657 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 37.1 mmt -68.68 -35.2 76.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 50.51 111.242 178.078 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -62.48 -36.75 83.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 50.51 111.203 177.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 97.7 mmm -63.54 -39.08 93.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 50.51 111.174 176.615 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 91.1 mt -65.9 -40.76 88.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 50.51 111.144 175.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 94.8 mt -64.98 -41.88 93.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 50.51 111.224 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -64.82 -29.96 70.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 50.55 111.187 -176.131 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.412 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 66.8 t0 -91.58 107.13 19.8 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 50.62 111.192 -178.843 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 46' ' ' ASP . 65.7 Cg_exo -56.37 -26.23 61.34 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 121.746 1.63 . . . . 50.51 111.131 -177.275 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -62.03 -27.02 68.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.439 . . . . 50.64 111.233 -177.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -115.02 29.41 8.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 50.51 111.179 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 95.6 p -60.34 -25.45 65.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 50.51 111.217 178.244 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.1 -37.66 88.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 50.51 111.167 175.349 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 90.3 mt -76.15 -32.81 59.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 50.51 111.238 176.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.27 -41.76 85.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 50.51 111.186 174.121 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -71.56 -40.23 70.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 50.51 111.286 175.267 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 60.2 tp -53.74 -42.71 68.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 50.51 111.204 178.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 60.4 p -65.06 -19.74 66.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.426 . . . . 50.51 111.245 -178.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -93.09 -20.89 20.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.474 . . . . 50.62 111.164 178.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -69.83 140.0 53.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 50.51 111.184 179.415 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 87.9 tttt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 50.51 111.193 -179.841 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 6.1 m95 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.815 0.341 . . . . 50.51 111.17 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -95.87 1.79 53.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 50.55 111.251 178.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 85.0 m -134.83 130.09 35.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 50.51 111.198 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -63.6 -43.04 98.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 50.51 111.213 -178.363 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -62.83 -40.1 96.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 50.62 111.138 -179.092 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -66.01 -38.58 88.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.264 -0.426 . . . . 50.62 111.173 178.657 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.54 -41.86 98.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 50.51 111.198 175.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -60.7 -40.66 93.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 50.51 111.185 178.173 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 72.7 tp60 -62.14 -42.08 98.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 50.55 111.26 176.148 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.13 -36.09 82.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 50.51 111.167 177.722 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -62.97 -42.13 99.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 50.51 111.138 176.639 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -65.97 -38.95 89.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 50.51 111.238 178.348 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -63.23 -45.02 93.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 50.62 111.173 178.257 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.1 -40.54 94.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 50.51 111.278 177.581 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.563 ' C ' HD23 ' A' ' 25' ' ' LEU . 8.1 tt -54.03 -45.16 71.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 50.51 111.181 176.253 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -69.58 -37.84 77.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 50.51 111.217 177.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -61.54 -32.56 72.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 50.62 111.196 178.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.657 ' HA ' ' HE2' ' A' ' 28' ' ' LYS . 10.9 mmpt? -95.08 10.83 34.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 50.51 111.256 179.376 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 39.9 54.9 2.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 50.64 111.219 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.452 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 93.9 t -73.24 119.6 76.6 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 50.51 111.22 179.382 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 30' ' ' VAL . 52.8 Cg_exo -55.04 144.96 66.3 Favored 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 121.764 1.643 . . . . 50.51 111.176 -176.253 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 94.6 p -65.47 -17.84 64.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 50.51 111.2 179.197 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -84.41 -11.54 56.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 50.55 111.217 179.333 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -77.06 145.27 38.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 50.51 111.18 179.181 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 81.8 p -73.78 169.01 18.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 50.51 111.203 -179.276 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 90.0 t90 -59.39 -46.36 88.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 50.51 111.174 176.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -61.02 -40.68 94.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.252 -0.431 . . . . 50.62 111.182 178.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 72.9 tp60 -60.07 -42.19 94.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 50.55 111.203 177.255 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.41 -42.78 99.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 50.51 111.242 176.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 39.2 mmt -63.27 -37.03 85.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 50.51 111.215 179.145 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -66.88 -41.99 86.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 50.51 111.177 179.024 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 92.9 mmm -59.84 -35.06 73.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 50.51 111.215 177.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 96.5 mt -75.08 -46.0 40.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 50.51 111.165 178.493 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 84.3 mt -58.22 -39.75 74.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 50.51 111.287 -179.376 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -63.8 -21.49 66.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 50.55 111.182 -177.299 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -91.03 109.96 38.87 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 50.62 111.229 -179.224 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_exo -56.54 -26.15 62.48 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 121.748 1.632 . . . . 50.51 111.213 -177.363 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -63.15 -24.92 68.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 50.64 111.188 -178.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 -114.96 35.09 4.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 50.51 111.176 178.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 92.1 p -59.31 -24.66 63.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 50.51 111.224 177.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.01 -45.47 85.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 50.51 111.151 174.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 78.5 mt -66.51 -34.18 77.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 50.51 111.213 177.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.55 -31.69 62.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 50.51 111.142 176.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -88.54 -37.23 15.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.257 -0.429 . . . . 50.51 111.19 178.187 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.417 ' HA ' ' HB2' ' A' ' 58' ' ' LYS . 86.5 mt -65.89 -18.69 65.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 50.51 111.221 179.73 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 60.1 p -63.11 -18.12 63.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.452 . . . . 50.51 111.231 178.085 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -115.0 -31.83 5.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 50.62 111.224 177.618 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.417 ' HB2' ' HA ' ' A' ' 55' ' ' LEU . 98.9 mttt -71.7 -26.81 62.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 50.51 111.205 -179.44 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 50.51 111.263 -179.059 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.697 ' CD1' ' N ' ' A' ' 11' ' ' TRP . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.82 0.343 . . . . 50.51 111.212 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -78.14 -31.13 49.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 50.55 111.142 -179.021 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 37.2 p -107.56 170.91 7.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.267 -0.424 . . . . 50.51 111.201 179.527 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -64.67 -36.16 83.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.167 -0.47 . . . . 50.51 111.142 178.147 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -68.03 -43.28 79.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 50.62 111.206 179.215 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -66.44 -36.73 83.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 50.62 111.249 178.641 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.98 -44.34 89.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 50.51 111.213 178.128 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -65.12 -38.19 89.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 50.51 111.174 178.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 72.3 tp60 -64.33 -44.75 90.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 50.55 111.155 178.473 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.0 -37.75 88.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 50.51 111.182 178.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -60.58 -49.26 78.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 50.51 111.199 175.601 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -64.98 -30.17 71.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 50.51 111.244 -179.626 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -61.0 -53.99 50.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 50.62 111.184 176.567 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.06 -34.98 79.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.424 . . . . 50.51 111.163 177.099 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.486 ' C ' HD23 ' A' ' 25' ' ' LEU . 9.7 tt -52.96 -52.02 59.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 50.51 111.21 176.287 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -67.7 -40.76 84.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 50.51 111.188 179.153 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -68.75 -19.47 64.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 50.62 111.187 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.596 ' HE3' ' HA ' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -92.67 -0.01 57.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 50.51 111.27 178.055 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 58.36 42.03 22.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 50.64 111.143 -179.451 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.443 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 91.7 t -73.81 125.02 90.7 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 116.244 -0.435 . . . . 50.51 111.155 178.753 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 30' ' ' VAL . 51.9 Cg_exo -55.05 144.0 70.99 Favored 'Trans proline' 0 N--CA 1.458 -0.565 0 C-N-CA 121.67 1.58 . . . . 50.51 111.207 -178.276 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 94.6 p -68.22 -14.94 63.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 50.51 111.195 -179.005 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -92.31 -1.16 57.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 50.55 111.178 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -83.15 144.93 29.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 50.51 111.19 179.055 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 61.1 p -76.58 171.33 14.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 50.51 111.245 179.25 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 79.3 t90 -58.74 -43.71 90.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 50.51 111.174 176.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -66.56 -41.38 88.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 50.62 111.227 -179.141 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -64.88 -38.76 92.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 50.55 111.244 178.179 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.65 -45.09 95.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.483 . . . . 50.51 111.202 174.128 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 64.0 ttp -57.7 -45.04 86.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 50.51 111.134 177.103 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -59.4 -44.33 92.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.25 -0.432 . . . . 50.51 111.227 -179.327 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 97.7 mtp -62.71 -40.08 96.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 50.51 111.221 178.346 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 92.3 mt -63.77 -40.55 89.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.153 -0.476 . . . . 50.51 111.196 176.722 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 91.8 mt -64.25 -40.85 90.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 50.51 111.214 178.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -62.28 -25.93 68.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 50.55 111.255 -177.249 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.413 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 65.0 t0 -91.67 105.37 12.97 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 50.62 111.202 179.644 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 46' ' ' ASP . 71.2 Cg_exo -55.06 -30.18 68.93 Favored 'Trans proline' 0 N--CA 1.458 -0.565 0 C-N-CA 121.708 1.605 . . . . 50.51 111.155 -176.284 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -64.99 -29.89 70.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 50.64 111.128 -177.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 16.2 m-30 -100.1 23.31 10.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 50.51 111.228 -178.318 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 95.2 p -59.7 -25.0 64.42 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.118 -0.492 . . . . 50.51 111.223 -179.639 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.3 -34.87 75.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 50.51 111.136 176.715 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -88.12 -30.21 20.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 50.51 111.255 178.489 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.07 -40.87 77.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 50.51 111.218 174.291 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -75.68 -36.05 60.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 50.51 111.262 177.628 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 66.4 tp -55.57 -43.6 76.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 50.51 111.19 177.08 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 81.4 p -64.94 -20.93 66.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 50.51 111.204 -179.165 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -85.1 -7.56 59.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 50.62 111.214 179.13 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -94.94 -0.49 53.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 50.51 111.221 178.308 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 57.6 mttt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 50.51 111.217 -179.29 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 1.9 m95 . . . . . 0 N--CA 1.457 -0.105 0 CA-C-O 120.831 0.348 . . . . 50.51 111.195 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -75.05 -18.73 60.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.464 . . . . 50.55 111.17 177.323 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 81.4 m -129.81 120.68 25.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 50.51 111.193 179.306 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -63.0 -34.95 78.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.271 -0.422 . . . . 50.51 111.222 -178.517 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -64.49 -38.77 92.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 50.62 111.166 179.004 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -67.9 -39.05 83.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 50.62 111.21 177.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.21 -47.52 85.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 50.51 111.155 175.726 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -64.14 -36.85 85.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.258 -0.428 . . . . 50.51 111.18 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 65.7 tp60 -60.61 -48.6 81.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 50.55 111.197 178.045 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.25 -38.32 90.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 50.51 111.204 179.156 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 20.8 m-30 -63.7 -46.03 87.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 50.51 111.236 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -65.01 -42.5 94.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.458 . . . . 50.51 111.236 -178.341 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -65.6 -40.4 92.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 50.62 111.228 -179.606 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.96 -42.99 94.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 50.51 111.17 175.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.607 ' C ' HD23 ' A' ' 25' ' ' LEU . 6.8 tt -55.67 -44.61 77.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 50.51 111.246 176.73 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -67.71 -39.01 84.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.426 . . . . 50.51 111.189 178.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -61.13 -37.33 82.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 50.62 111.225 178.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -91.78 4.09 53.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 50.51 111.142 178.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 40.57 55.16 2.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 50.64 111.18 -178.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.431 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 88.5 t -65.67 123.59 85.07 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.436 . . . . 50.51 111.223 -178.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 30' ' ' VAL . 53.8 Cg_exo -55.11 144.94 67.18 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 121.678 1.585 . . . . 50.51 111.141 -176.812 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 94.7 p -67.52 -16.07 64.0 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.23 -0.441 . . . . 50.51 111.135 179.212 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -89.76 -4.75 57.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.451 . . . . 50.55 111.269 179.524 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -76.25 145.01 40.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 50.51 111.186 178.361 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 80.9 p -71.34 165.0 24.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 50.51 111.263 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 91.3 t90 -56.92 -45.04 82.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 50.51 111.168 177.339 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.43 -43.22 98.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.232 -0.44 . . . . 50.62 111.194 179.255 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 72.8 tp60 -57.83 -43.32 85.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 50.55 111.27 177.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.77 -45.28 94.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 50.51 111.158 177.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 96.7 mmm -63.18 -34.56 77.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 50.51 111.167 -179.536 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -64.73 -43.55 93.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.429 . . . . 50.51 111.168 176.734 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 99.7 mmm -65.1 -34.94 79.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 50.51 111.142 177.033 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 88.7 mt -64.21 -45.06 97.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.221 -0.445 . . . . 50.51 111.166 176.396 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 93.4 mt -64.99 -36.07 76.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 50.51 111.172 177.394 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -78.01 -2.86 39.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 50.55 111.092 -178.345 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.461 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 68.4 t0 -89.56 101.36 3.15 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.254 -0.43 . . . . 50.62 111.165 177.355 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 46' ' ' ASP . 72.1 Cg_exo -54.36 -29.45 58.26 Favored 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.715 1.61 . . . . 50.51 111.258 -174.688 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -63.58 -32.45 73.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 50.64 111.225 -176.354 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 99.7 m-85 -124.0 4.96 8.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 50.51 111.169 -177.137 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 91.3 p -60.3 -27.39 67.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 50.51 111.177 179.672 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.09 -26.99 69.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 50.51 111.205 179.427 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 93.1 mt -103.23 -30.9 10.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 50.51 111.243 -179.345 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.81 -33.83 76.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 50.51 111.197 178.42 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -95.02 5.03 53.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 50.51 111.185 179.228 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 35.5 tp -61.77 -32.61 72.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 50.51 111.128 -178.545 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 95.8 p -64.94 -18.15 64.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 50.51 111.2 178.325 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -97.86 -31.33 12.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 50.62 111.182 175.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -64.2 -37.24 86.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 50.51 111.255 178.315 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 86.5 tttt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 50.51 111.198 179.957 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.798 0.332 . . . . 50.51 111.177 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -61.53 -38.67 88.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 50.51 111.23 178.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 72.5 tp60 -61.56 -44.29 97.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 50.55 111.251 176.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.34 -38.81 88.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 50.51 111.201 177.154 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 18.3 m-30 -61.44 -46.73 88.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 50.51 111.197 177.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -60.48 -39.93 89.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 50.51 111.191 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -60.2 -47.0 87.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 50.62 111.187 177.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.87 -35.08 79.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 50.51 111.171 177.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.46 HD12 ' HA ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -63.13 -37.63 87.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 50.51 111.2 178.055 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -66.31 -41.78 89.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 50.51 111.192 174.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -65.03 -29.42 70.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 50.62 111.192 177.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.529 ' HA ' ' HE2' ' A' ' 28' ' ' LYS . 10.5 mmpt? -95.01 8.55 42.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 50.51 111.204 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 46.6 52.31 11.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 50.64 111.22 178.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.457 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 98.1 t -74.7 120.83 83.44 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 50.51 111.216 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' ' 30' ' ' VAL . 53.2 Cg_exo -55.06 143.47 73.59 Favored 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 121.676 1.584 . . . . 50.51 111.22 -178.315 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 94.5 p -66.64 -17.02 64.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 50.51 111.176 178.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -94.94 -0.44 53.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 50.55 111.245 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -80.89 144.95 31.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 50.51 111.171 178.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 78.9 p -75.26 164.83 26.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 50.51 111.249 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 76.1 t-105 -57.15 -43.22 82.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 50.51 111.227 177.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -58.76 -48.07 82.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 50.62 111.161 178.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -63.86 -35.0 79.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 50.55 111.199 178.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.32 -40.21 95.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 50.51 111.185 177.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 36.4 mmt -70.89 -36.24 72.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 50.51 111.197 -179.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -54.37 -28.77 45.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.482 . . . . 50.51 111.167 178.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.41 ' HG3' HG22 ' A' ' 30' ' ' VAL . 99.6 mmm -71.05 -28.81 64.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 50.51 111.188 -177.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 47.3 pt -102.79 -9.33 9.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 50.51 111.156 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 92.1 mt -83.21 -43.87 18.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 50.51 111.229 174.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -74.85 -17.55 60.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 50.55 111.189 179.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.483 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 66.8 t0 -98.41 107.5 42.4 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 50.62 111.173 -179.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.483 ' HD3' ' HA ' ' A' ' 46' ' ' ASP . 53.2 Cg_exo -55.97 -25.58 54.25 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 121.668 1.579 . . . . 50.51 111.164 -176.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -61.96 -28.48 69.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 50.64 111.159 -177.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -114.91 22.17 13.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 50.51 111.245 -179.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 96.7 p -57.9 -28.26 64.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 50.51 111.168 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.15 -36.97 85.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.429 . . . . 50.51 111.228 176.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 97.8 mt -79.85 -30.75 40.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 50.51 111.227 178.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.33 -39.13 89.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 50.51 111.201 175.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.3 mttt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 50.51 111.17 175.796 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.792 0.33 . . . . 50.51 111.212 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -66.16 -39.32 89.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 50.51 111.19 179.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 71.6 tp60 -61.14 -44.27 97.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 50.55 111.19 176.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.17 -38.7 90.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.267 -0.424 . . . . 50.51 111.256 177.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.403 ' HA ' HD13 ' A' ' 52' ' ' LEU . 77.2 t80 -60.67 -46.61 89.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 50.51 111.192 177.279 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -63.11 -37.96 89.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 50.51 111.188 179.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -64.99 -42.48 94.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.245 -0.434 . . . . 50.62 111.246 177.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.97 -36.6 84.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 50.51 111.202 177.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.416 HD12 ' HA ' ' A' ' 25' ' ' LEU . 0.7 OUTLIER -57.6 -43.95 85.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 50.51 111.237 175.372 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -63.73 -39.58 94.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 50.51 111.203 175.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 49.4 tp10 -64.0 -30.11 71.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 50.62 111.22 178.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.7 mmmt -96.46 5.29 51.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 50.51 111.174 -178.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 57.14 44.22 22.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 50.64 111.211 178.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.502 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 93.8 t -75.66 123.12 88.29 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 50.51 111.134 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.502 ' HD3' ' HA ' ' A' ' 30' ' ' VAL . 53.2 Cg_exo -56.15 143.18 85.3 Favored 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 121.739 1.626 . . . . 50.51 111.197 -178.142 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 96.4 p -67.57 -16.36 64.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.307 -0.406 . . . . 50.51 111.209 179.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 73.5 m-80 -98.57 5.34 47.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 50.55 111.226 179.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.56 144.99 43.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 50.51 111.179 179.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 82.9 p -75.06 170.27 16.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 50.51 111.178 179.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 92.4 t90 -60.4 -44.58 95.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 50.51 111.178 176.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.89 -39.96 96.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 50.62 111.205 179.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -63.11 -51.02 68.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 50.55 111.167 178.104 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.63 -36.45 78.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 50.51 111.258 178.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 54.5 ttp -60.44 -53.43 57.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 50.51 111.111 177.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -60.6 -35.89 77.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 50.51 111.151 -177.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 92.6 mmm -59.44 -25.91 64.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.421 . . . . 50.51 111.194 178.026 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 47.1 mm -89.48 -41.4 13.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.462 . . . . 50.51 111.149 177.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 97.1 mt -57.14 -36.31 51.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 50.51 111.258 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -74.14 -9.97 59.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 50.55 111.254 -175.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -116.41 101.4 53.75 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 50.62 111.246 -178.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -55.08 -25.07 43.42 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 121.683 1.589 . . . . 50.51 111.137 -177.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 -48.4 -38.24 19.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.287 -0.415 . . . . 50.64 111.21 179.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -115.33 39.54 2.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 50.51 111.225 -177.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 93.5 p -55.58 -28.5 55.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 50.51 111.191 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.68 -39.8 94.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 50.51 111.209 177.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' A' ' 21' ' ' PHE . 84.8 mt -74.89 -31.73 61.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 50.51 111.235 177.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.27 -38.16 85.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 50.51 111.249 173.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.7 mttt . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 50.51 111.184 175.997 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.768 0.318 . . . . 50.51 111.157 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -64.27 -45.95 85.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 50.51 111.244 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -67.73 -45.57 74.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 50.55 111.202 -179.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.46 -33.29 75.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 50.51 111.186 178.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.41 ' HA ' HD13 ' A' ' 52' ' ' LEU . 86.8 t80 -64.0 -48.82 74.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 50.51 111.218 177.412 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -60.63 -38.62 85.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.283 -0.417 . . . . 50.51 111.106 178.28 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -66.9 -42.61 85.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 50.62 111.164 177.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.14 -35.01 79.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 50.51 111.173 178.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.449 HD12 ' HA ' ' A' ' 25' ' ' LEU . 0.5 OUTLIER -55.32 -44.04 75.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 50.51 111.157 175.719 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -66.31 -40.48 89.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 50.51 111.256 176.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -64.96 -25.25 67.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 50.62 111.247 178.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.431 ' HD2' ' HA ' ' A' ' 28' ' ' LYS . 26.3 mmmt -99.91 7.45 44.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 50.51 111.202 -178.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 55.21 39.92 31.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 50.64 111.19 178.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.422 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 98.9 t -69.91 122.8 87.19 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 50.51 111.249 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 30' ' ' VAL . 52.5 Cg_exo -55.02 140.64 80.01 Favored 'Trans proline' 0 N--CA 1.457 -0.63 0 C-N-CA 121.783 1.655 . . . . 50.51 111.144 -178.05 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 95.9 p -67.34 -17.52 64.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 50.51 111.134 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -95.79 3.12 54.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.257 -0.429 . . . . 50.55 111.183 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.77 143.81 43.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 50.51 111.149 179.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 80.1 p -73.36 173.22 9.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 50.51 111.187 179.283 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 92.1 t90 -60.74 -45.23 95.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 50.51 111.241 176.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -64.47 -41.16 96.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.176 -0.466 . . . . 50.62 111.192 179.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -63.86 -45.92 87.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 50.55 111.237 178.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.44 -37.54 86.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 50.51 111.218 178.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 60.8 tpp -65.14 -45.96 82.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 50.51 111.2 178.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -61.46 -36.93 81.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 50.51 111.131 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 91.8 mmm -59.69 -25.38 64.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 50.51 111.207 177.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 43.5 mm -89.65 -41.27 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 50.51 111.239 177.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 98.0 mt -55.73 -39.38 55.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 50.51 111.232 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -64.9 -25.04 67.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.482 . . . . 50.55 111.178 -177.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.476 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 65.8 t0 -97.81 104.57 22.18 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.127 -0.488 . . . . 50.62 111.229 -178.196 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' A' ' 46' ' ' ASP . 76.7 Cg_exo -55.99 -26.67 60.06 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.729 1.619 . . . . 50.51 111.198 -176.687 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 48.1 ttp180 -54.79 -32.39 60.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 50.64 111.214 -178.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -112.38 34.77 4.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.27 -0.423 . . . . 50.51 111.162 -177.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 93.9 p -55.09 -30.48 59.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.264 -0.425 . . . . 50.51 111.173 178.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.64 -36.4 82.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 50.51 111.249 176.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.41 HD13 ' HA ' ' A' ' 21' ' ' PHE . 96.5 mt -81.91 -26.83 33.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 50.51 111.173 179.602 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.53 -26.58 65.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.288 -0.414 . . . . 50.51 111.161 176.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.5 mttt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 50.51 111.242 -179.103 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.807 0.337 . . . . 50.51 111.235 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -64.79 -35.54 81.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 50.51 111.188 178.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -64.22 -44.61 91.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 50.55 111.197 178.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.07 -39.58 92.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 50.51 111.213 176.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 17.2 m-30 -60.56 -46.58 89.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 50.51 111.171 177.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.48 -40.45 94.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 50.51 111.262 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -58.39 -47.67 83.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 50.62 111.204 177.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.04 -37.25 86.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 50.51 111.205 177.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.454 HD12 ' HA ' ' A' ' 25' ' ' LEU . 0.3 OUTLIER -60.84 -36.44 79.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 50.51 111.143 178.619 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -69.98 -42.33 73.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.276 -0.42 . . . . 50.51 111.19 176.044 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -65.17 -27.85 68.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 50.62 111.194 178.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -96.49 6.18 49.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 50.51 111.186 179.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 41.41 55.95 3.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 50.64 111.239 -178.08 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.454 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 99.3 t -67.56 121.98 81.39 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 50.51 111.121 -179.516 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' ' 30' ' ' VAL . 50.1 Cg_exo -54.96 142.25 76.57 Favored 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 121.725 1.617 . . . . 50.51 111.22 -177.344 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 95.2 p -66.85 -17.75 65.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 50.51 111.215 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -87.45 -11.17 49.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.18 -0.464 . . . . 50.55 111.202 179.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -77.48 144.85 37.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 50.51 111.244 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 83.4 p -78.56 166.85 22.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 50.51 111.211 178.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 76.6 t-105 -58.57 -44.74 89.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 50.51 111.222 176.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -53.49 -46.23 69.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 50.62 111.199 177.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -68.5 -40.03 81.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 50.55 111.21 179.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -55.67 -37.66 68.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 50.51 111.199 177.114 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 34.9 mmt -74.38 -42.22 59.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 50.51 111.226 178.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -59.44 -29.42 67.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 50.51 111.188 179.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 91.6 mtp -73.31 -20.04 60.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 50.51 111.201 -177.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 47.1 pt -109.34 -13.53 10.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 50.51 111.177 178.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 79.7 mt -79.86 -42.78 22.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 50.51 111.196 174.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -70.4 -20.64 62.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 50.55 111.219 177.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.425 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 67.2 t0 -88.49 108.47 22.74 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 50.62 111.174 178.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 46' ' ' ASP . 77.5 Cg_exo -55.02 -26.53 50.13 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 121.684 1.589 . . . . 50.51 111.174 -175.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -60.03 -28.98 68.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 50.64 111.251 -178.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -115.74 30.83 7.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 50.51 111.222 -179.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 93.4 p -59.17 -24.58 63.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 50.51 111.163 177.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.68 -35.64 81.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 50.51 111.197 175.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 90.5 mt -78.63 -31.21 46.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 50.51 111.259 177.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.65 -41.59 81.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 50.51 111.218 173.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.8 mttt . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 50.51 111.223 175.605 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.773 0.32 . . . . 50.51 111.141 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -63.12 -42.78 99.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 50.51 111.188 176.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -60.37 -40.3 90.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 50.55 111.223 177.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.88 -41.99 98.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 50.51 111.167 176.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -60.55 -45.42 93.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 50.51 111.227 177.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.5 -44.8 95.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 50.51 111.144 -178.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -63.78 -40.24 96.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 50.62 111.21 179.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.0 -39.55 93.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 50.51 111.228 177.347 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.42 HD12 ' HA ' ' A' ' 25' ' ' LEU . 0.9 OUTLIER -62.49 -36.83 83.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 50.51 111.171 177.928 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -67.64 -42.41 82.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 50.51 111.185 175.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -62.82 -31.41 72.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 50.62 111.192 178.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.403 ' HA ' ' HD2' ' A' ' 28' ' ' LYS . 29.2 mmmt -98.84 10.7 40.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 50.51 111.248 -179.402 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 39.96 55.57 2.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 50.64 111.209 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.404 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 95.5 t -70.24 121.66 83.88 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 50.51 111.167 -179.614 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 30' ' ' VAL . 52.4 Cg_exo -54.91 143.85 70.14 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 121.671 1.581 . . . . 50.51 111.197 -176.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 95.5 p -68.73 -16.47 63.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 50.51 111.238 179.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -94.94 -0.26 54.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 50.55 111.215 179.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -81.43 145.03 30.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 50.51 111.153 178.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 83.2 p -73.8 170.6 14.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 50.51 111.141 179.211 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 31.2 t-105 -63.39 -40.91 98.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 50.51 111.212 176.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -57.28 -47.54 81.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.483 . . . . 50.62 111.183 175.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 72.3 tp60 -62.82 -43.08 99.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 50.55 111.152 177.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -55.0 -42.58 72.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.224 -0.444 . . . . 50.51 111.222 179.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 78.0 mtm -67.44 -46.51 72.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 50.51 111.21 178.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -57.69 -33.73 68.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 50.51 111.158 -178.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 92.2 mmm -62.88 -34.46 77.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 50.51 111.236 179.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 41.1 pt -98.89 -13.23 8.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 50.51 111.244 -176.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 71.0 mt -73.67 -34.92 42.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 50.51 111.223 174.046 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -72.67 -16.92 61.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 50.55 111.225 177.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.401 ' HA ' ' HD2' ' A' ' 47' ' ' PRO . 67.2 t0 -92.05 109.53 38.05 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 50.62 111.209 178.29 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 46' ' ' ASP . 41.9 Cg_endo -59.72 -19.78 55.25 Favored 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 121.759 1.639 . . . . 50.51 111.199 -175.47 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 85.0 mtm180 -67.6 -25.75 65.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 50.64 111.248 -178.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 -115.06 33.17 5.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 50.51 111.202 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 91.8 p -58.19 -25.99 62.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 50.51 111.187 177.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.66 -40.68 97.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 50.51 111.231 176.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.4 mt -74.07 -33.24 63.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 50.51 111.266 176.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.26 -40.75 91.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 50.51 111.218 176.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.8 mttt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 50.51 111.242 176.665 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.867 0.365 . . . . 50.51 111.219 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -66.17 -33.2 75.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 50.51 111.169 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 72.3 tp60 -61.02 -49.13 78.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 50.55 111.145 176.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.81 -36.58 84.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.306 -0.406 . . . . 50.51 111.139 177.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 18.2 m-30 -59.88 -46.39 89.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 50.51 111.26 175.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -61.69 -38.59 88.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 50.51 111.189 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -59.81 -47.47 85.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 50.62 111.193 177.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.0 -35.67 81.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 50.51 111.211 176.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.457 HD12 ' HA ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -62.49 -36.99 84.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 50.51 111.146 178.879 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -67.41 -42.64 82.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.21 -0.45 . . . . 50.51 111.151 175.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -62.51 -32.0 72.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 50.62 111.2 177.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.683 ' HA ' ' HE2' ' A' ' 28' ' ' LYS . 10.2 mmpt? -96.55 12.02 33.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 50.51 111.15 -179.285 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 40.01 55.08 2.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 50.64 111.138 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.474 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 98.9 t -73.88 120.02 79.11 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 50.51 111.197 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.474 ' HD3' ' HA ' ' A' ' 30' ' ' VAL . 63.9 Cg_exo -55.06 145.03 66.21 Favored 'Trans proline' 0 N--CA 1.457 -0.634 0 C-N-CA 121.708 1.605 . . . . 50.51 111.208 -176.49 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 94.9 p -67.71 -15.55 63.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.454 . . . . 50.51 111.166 178.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -93.04 -3.15 54.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 50.55 111.268 179.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.17 145.04 33.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.088 -0.505 . . . . 50.51 111.222 178.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 68.3 p -76.76 164.01 26.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.442 . . . . 50.51 111.206 -179.19 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 77.0 t-105 -56.11 -46.25 79.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.259 -0.428 . . . . 50.51 111.204 176.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -56.61 -48.06 78.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 50.62 111.176 178.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -61.84 -38.01 86.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 50.55 111.271 179.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.05 -39.53 94.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 50.51 111.128 177.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 37.1 mmt -68.68 -35.2 76.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 50.51 111.242 178.078 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -62.48 -36.75 83.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 50.51 111.203 177.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 97.7 mmm -63.54 -39.08 93.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 50.51 111.174 176.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 91.1 mt -65.9 -40.76 88.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 50.51 111.144 175.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 94.8 mt -64.98 -41.88 93.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 50.51 111.224 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -64.82 -29.96 70.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 50.55 111.187 -176.131 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.412 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 66.8 t0 -91.58 107.13 19.8 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 50.62 111.192 -178.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 46' ' ' ASP . 65.7 Cg_exo -56.37 -26.23 61.34 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 121.746 1.63 . . . . 50.51 111.131 -177.275 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -62.03 -27.02 68.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.439 . . . . 50.64 111.233 -177.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -115.02 29.41 8.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 50.51 111.179 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 95.6 p -60.34 -25.45 65.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 50.51 111.217 178.244 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.1 -37.66 88.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 50.51 111.167 175.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 90.3 mt -76.15 -32.81 59.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 50.51 111.238 176.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.27 -41.76 85.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 50.51 111.186 174.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.7 mttt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 50.51 111.286 175.267 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.739 0.304 . . . . 50.51 111.198 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -60.7 -40.66 93.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 50.51 111.185 178.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 72.7 tp60 -62.14 -42.08 98.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 50.55 111.26 176.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.13 -36.09 82.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 50.51 111.167 177.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -62.97 -42.13 99.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 50.51 111.138 176.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -65.97 -38.95 89.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 50.51 111.238 178.348 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -63.23 -45.02 93.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 50.62 111.173 178.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.1 -40.54 94.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 50.51 111.278 177.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.563 ' C ' HD23 ' A' ' 25' ' ' LEU . 8.1 tt -54.03 -45.16 71.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 50.51 111.181 176.253 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -69.58 -37.84 77.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 50.51 111.217 177.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -61.54 -32.56 72.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 50.62 111.196 178.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.657 ' HA ' ' HE2' ' A' ' 28' ' ' LYS . 10.9 mmpt? -95.08 10.83 34.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 50.51 111.256 179.376 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 39.9 54.9 2.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 50.64 111.219 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.452 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 93.9 t -73.24 119.6 76.6 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 50.51 111.22 179.382 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 30' ' ' VAL . 52.8 Cg_exo -55.04 144.96 66.3 Favored 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 121.764 1.643 . . . . 50.51 111.176 -176.253 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 94.6 p -65.47 -17.84 64.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 50.51 111.2 179.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -84.41 -11.54 56.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 50.55 111.217 179.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -77.06 145.27 38.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 50.51 111.18 179.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 81.8 p -73.78 169.01 18.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 50.51 111.203 -179.276 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 90.0 t90 -59.39 -46.36 88.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 50.51 111.174 176.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -61.02 -40.68 94.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.252 -0.431 . . . . 50.62 111.182 178.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 72.9 tp60 -60.07 -42.19 94.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 50.55 111.203 177.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.41 -42.78 99.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 50.51 111.242 176.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 39.2 mmt -63.27 -37.03 85.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 50.51 111.215 179.145 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -66.88 -41.99 86.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 50.51 111.177 179.024 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 92.9 mmm -59.84 -35.06 73.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 50.51 111.215 177.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 96.5 mt -75.08 -46.0 40.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 50.51 111.165 178.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 84.3 mt -58.22 -39.75 74.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 50.51 111.287 -179.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -63.8 -21.49 66.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 50.55 111.182 -177.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -91.03 109.96 38.87 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 50.62 111.229 -179.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_exo -56.54 -26.15 62.48 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 121.748 1.632 . . . . 50.51 111.213 -177.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -63.15 -24.92 68.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 50.64 111.188 -178.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 -114.96 35.09 4.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 50.51 111.176 178.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 92.1 p -59.31 -24.66 63.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 50.51 111.224 177.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.01 -45.47 85.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 50.51 111.151 174.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 78.5 mt -66.51 -34.18 77.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 50.51 111.213 177.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.55 -31.69 62.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 50.51 111.142 176.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.6 mttt . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.257 -0.429 . . . . 50.51 111.19 178.187 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.804 0.335 . . . . 50.51 111.213 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -65.12 -38.19 89.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 50.51 111.174 178.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 72.3 tp60 -64.33 -44.75 90.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 50.55 111.155 178.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.0 -37.75 88.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 50.51 111.182 178.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -60.58 -49.26 78.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 50.51 111.199 175.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -64.98 -30.17 71.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 50.51 111.244 -179.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -61.0 -53.99 50.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 50.62 111.184 176.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.06 -34.98 79.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.424 . . . . 50.51 111.163 177.099 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.486 ' C ' HD23 ' A' ' 25' ' ' LEU . 9.7 tt -52.96 -52.02 59.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 50.51 111.21 176.287 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -67.7 -40.76 84.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 50.51 111.188 179.153 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -68.75 -19.47 64.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 50.62 111.187 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.596 ' HE3' ' HA ' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -92.67 -0.01 57.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 50.51 111.27 178.055 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 58.36 42.03 22.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 50.64 111.143 -179.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.443 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 91.7 t -73.81 125.02 90.7 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 116.244 -0.435 . . . . 50.51 111.155 178.753 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 30' ' ' VAL . 51.9 Cg_exo -55.05 144.0 70.99 Favored 'Trans proline' 0 N--CA 1.458 -0.565 0 C-N-CA 121.67 1.58 . . . . 50.51 111.207 -178.276 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 94.6 p -68.22 -14.94 63.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 50.51 111.195 -179.005 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -92.31 -1.16 57.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 50.55 111.178 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -83.15 144.93 29.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 50.51 111.19 179.055 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 61.1 p -76.58 171.33 14.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 50.51 111.245 179.25 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 79.3 t90 -58.74 -43.71 90.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 50.51 111.174 176.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -66.56 -41.38 88.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 50.62 111.227 -179.141 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -64.88 -38.76 92.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 50.55 111.244 178.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.65 -45.09 95.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.483 . . . . 50.51 111.202 174.128 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 64.0 ttp -57.7 -45.04 86.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 50.51 111.134 177.103 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -59.4 -44.33 92.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.25 -0.432 . . . . 50.51 111.227 -179.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 97.7 mtp -62.71 -40.08 96.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 50.51 111.221 178.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 92.3 mt -63.77 -40.55 89.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.153 -0.476 . . . . 50.51 111.196 176.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 91.8 mt -64.25 -40.85 90.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 50.51 111.214 178.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -62.28 -25.93 68.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 50.55 111.255 -177.249 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.413 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 65.0 t0 -91.67 105.37 12.97 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 50.62 111.202 179.644 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 46' ' ' ASP . 71.2 Cg_exo -55.06 -30.18 68.93 Favored 'Trans proline' 0 N--CA 1.458 -0.565 0 C-N-CA 121.708 1.605 . . . . 50.51 111.155 -176.284 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -64.99 -29.89 70.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 50.64 111.128 -177.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 16.2 m-30 -100.1 23.31 10.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 50.51 111.228 -178.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 95.2 p -59.7 -25.0 64.42 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.118 -0.492 . . . . 50.51 111.223 -179.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.3 -34.87 75.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 50.51 111.136 176.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -88.12 -30.21 20.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 50.51 111.255 178.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.07 -40.87 77.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 50.51 111.218 174.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.4 mttt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 50.51 111.262 177.628 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.71 0.29 . . . . 50.51 111.155 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -64.14 -36.85 85.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.258 -0.428 . . . . 50.51 111.18 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 65.7 tp60 -60.61 -48.6 81.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 50.55 111.197 178.045 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.25 -38.32 90.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 50.51 111.204 179.156 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 20.8 m-30 -63.7 -46.03 87.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 50.51 111.236 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -65.01 -42.5 94.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.458 . . . . 50.51 111.236 -178.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -65.6 -40.4 92.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 50.62 111.228 -179.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.96 -42.99 94.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 50.51 111.17 175.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.607 ' C ' HD23 ' A' ' 25' ' ' LEU . 6.8 tt -55.67 -44.61 77.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 50.51 111.246 176.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -67.71 -39.01 84.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.426 . . . . 50.51 111.189 178.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -61.13 -37.33 82.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 50.62 111.225 178.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -91.78 4.09 53.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 50.51 111.142 178.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 40.57 55.16 2.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 50.64 111.18 -178.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.431 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 88.5 t -65.67 123.59 85.07 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.436 . . . . 50.51 111.223 -178.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 30' ' ' VAL . 53.8 Cg_exo -55.11 144.94 67.18 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 121.678 1.585 . . . . 50.51 111.141 -176.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 94.7 p -67.52 -16.07 64.0 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.23 -0.441 . . . . 50.51 111.135 179.212 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -89.76 -4.75 57.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.451 . . . . 50.55 111.269 179.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -76.25 145.01 40.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 50.51 111.186 178.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 80.9 p -71.34 165.0 24.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 50.51 111.263 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 91.3 t90 -56.92 -45.04 82.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 50.51 111.168 177.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.43 -43.22 98.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.232 -0.44 . . . . 50.62 111.194 179.255 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 72.8 tp60 -57.83 -43.32 85.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 50.55 111.27 177.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.77 -45.28 94.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 50.51 111.158 177.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 96.7 mmm -63.18 -34.56 77.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 50.51 111.167 -179.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -64.73 -43.55 93.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.429 . . . . 50.51 111.168 176.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 99.7 mmm -65.1 -34.94 79.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 50.51 111.142 177.033 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 88.7 mt -64.21 -45.06 97.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.221 -0.445 . . . . 50.51 111.166 176.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 93.4 mt -64.99 -36.07 76.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 50.51 111.172 177.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -78.01 -2.86 39.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 50.55 111.092 -178.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.461 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 68.4 t0 -89.56 101.36 3.15 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.254 -0.43 . . . . 50.62 111.165 177.355 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 46' ' ' ASP . 72.1 Cg_exo -54.36 -29.45 58.26 Favored 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.715 1.61 . . . . 50.51 111.258 -174.688 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -63.58 -32.45 73.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 50.64 111.225 -176.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 99.7 m-85 -124.0 4.96 8.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 50.51 111.169 -177.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 91.3 p -60.3 -27.39 67.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 50.51 111.177 179.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.09 -26.99 69.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 50.51 111.205 179.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 93.1 mt -103.23 -30.9 10.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 50.51 111.243 -179.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.81 -33.83 76.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 50.51 111.197 178.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.2 mttt . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 50.51 111.185 179.228 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 8.9 m95 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.81 0.338 . . . . 50.51 111.192 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -98.77 -7.06 28.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 50.55 111.23 179.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 85.8 m -124.28 131.83 53.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.455 . . . . 50.51 111.219 -178.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -61.45 -40.87 96.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 50.51 111.237 -178.13 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -64.06 -41.47 97.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 50.62 111.152 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -66.09 -35.66 81.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 50.62 111.205 177.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.46 -44.18 97.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 50.51 111.177 175.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -61.53 -38.67 88.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 50.51 111.23 178.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 72.5 tp60 -61.56 -44.29 97.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 50.55 111.251 176.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.34 -38.81 88.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 50.51 111.201 177.154 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 18.3 m-30 -61.44 -46.73 88.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 50.51 111.197 177.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -60.48 -39.93 89.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.45 . . . . 50.51 111.191 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -60.2 -47.0 87.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 50.62 111.187 177.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.87 -35.08 79.97 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 50.51 111.171 177.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.46 HD12 ' HA ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -63.13 -37.63 87.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 50.51 111.2 178.055 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -66.31 -41.78 89.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 50.51 111.192 174.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -65.03 -29.42 70.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 50.62 111.192 177.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.529 ' HA ' ' HE2' ' A' ' 28' ' ' LYS . 10.5 mmpt? -95.01 8.55 42.54 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 50.51 111.204 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 46.6 52.31 11.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 50.64 111.22 178.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.457 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 98.1 t -74.7 120.83 83.44 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 50.51 111.216 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' ' 30' ' ' VAL . 53.2 Cg_exo -55.06 143.47 73.59 Favored 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 121.676 1.584 . . . . 50.51 111.22 -178.315 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 94.5 p -66.64 -17.02 64.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 50.51 111.176 178.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -94.94 -0.44 53.91 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.207 -0.451 . . . . 50.55 111.245 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -80.89 144.95 31.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 50.51 111.171 178.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 78.9 p -75.26 164.83 26.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 50.51 111.249 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 76.1 t-105 -57.15 -43.22 82.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 50.51 111.227 177.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -58.76 -48.07 82.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 50.62 111.161 178.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -63.86 -35.0 79.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.446 . . . . 50.55 111.199 178.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -64.32 -40.21 95.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 50.51 111.185 177.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 36.4 mmt -70.89 -36.24 72.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 50.51 111.197 -179.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -54.37 -28.77 45.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.482 . . . . 50.51 111.167 178.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.41 ' HG3' HG22 ' A' ' 30' ' ' VAL . 99.6 mmm -71.05 -28.81 64.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 50.51 111.188 -177.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 47.3 pt -102.79 -9.33 9.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 50.51 111.156 -179.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 92.1 mt -83.21 -43.87 18.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 50.51 111.229 174.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -74.85 -17.55 60.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 50.55 111.189 179.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.483 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 66.8 t0 -98.41 107.5 42.4 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 50.62 111.173 -179.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.483 ' HD3' ' HA ' ' A' ' 46' ' ' ASP . 53.2 Cg_exo -55.97 -25.58 54.25 Favored 'Trans proline' 0 N--CA 1.459 -0.534 0 C-N-CA 121.668 1.579 . . . . 50.51 111.164 -176.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -61.96 -28.48 69.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 50.64 111.159 -177.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -114.91 22.17 13.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 50.51 111.245 -179.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 96.7 p -57.9 -28.26 64.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 50.51 111.168 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.15 -36.97 85.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.257 -0.429 . . . . 50.51 111.228 176.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 97.8 mt -79.85 -30.75 40.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 50.51 111.227 178.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.33 -39.13 89.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 50.51 111.201 175.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -77.37 -38.12 50.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 50.51 111.17 175.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 46.0 tp -59.19 -35.46 73.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 50.51 111.202 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 54.6 p -64.14 -19.17 65.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.468 . . . . 50.51 111.184 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -95.8 -30.28 13.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 50.62 111.166 175.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -72.03 -25.07 61.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 50.51 111.182 177.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 50.51 111.2 -179.158 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 44.5 m95 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.839 0.352 . . . . 50.51 111.193 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -89.47 -28.8 19.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 50.55 111.237 -178.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 91.4 m -126.05 121.47 33.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 50.51 111.24 -179.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -62.8 -35.87 81.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 50.51 111.2 -178.164 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -63.27 -42.91 99.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.435 . . . . 50.62 111.16 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -69.28 -36.4 77.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 50.62 111.161 178.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.8 -45.48 93.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 50.51 111.212 177.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -66.16 -39.32 89.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 50.51 111.19 179.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 71.6 tp60 -61.14 -44.27 97.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 50.55 111.19 176.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.17 -38.7 90.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.267 -0.424 . . . . 50.51 111.256 177.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.403 ' HA ' HD13 ' A' ' 52' ' ' LEU . 77.2 t80 -60.67 -46.61 89.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 50.51 111.192 177.279 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -63.11 -37.96 89.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 50.51 111.188 179.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -64.99 -42.48 94.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.245 -0.434 . . . . 50.62 111.246 177.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.97 -36.6 84.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 50.51 111.202 177.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.416 HD12 ' HA ' ' A' ' 25' ' ' LEU . 0.7 OUTLIER -57.6 -43.95 85.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 50.51 111.237 175.372 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -63.73 -39.58 94.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.156 -0.475 . . . . 50.51 111.203 175.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 49.4 tp10 -64.0 -30.11 71.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 50.62 111.22 178.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 27.7 mmmt -96.46 5.29 51.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 50.51 111.174 -178.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 57.14 44.22 22.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 50.64 111.211 178.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.502 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 93.8 t -75.66 123.12 88.29 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.454 . . . . 50.51 111.134 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.502 ' HD3' ' HA ' ' A' ' 30' ' ' VAL . 53.2 Cg_exo -56.15 143.18 85.3 Favored 'Trans proline' 0 N--CA 1.458 -0.571 0 C-N-CA 121.739 1.626 . . . . 50.51 111.197 -178.142 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 96.4 p -67.57 -16.36 64.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.307 -0.406 . . . . 50.51 111.209 179.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 73.5 m-80 -98.57 5.34 47.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 50.55 111.226 179.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.56 144.99 43.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 50.51 111.179 179.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 82.9 p -75.06 170.27 16.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 50.51 111.178 179.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 92.4 t90 -60.4 -44.58 95.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.227 -0.442 . . . . 50.51 111.178 176.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -62.89 -39.96 96.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 50.62 111.205 179.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 72.0 tp60 -63.11 -51.02 68.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.442 . . . . 50.55 111.167 178.104 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -60.63 -36.45 78.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 50.51 111.258 178.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 54.5 ttp -60.44 -53.43 57.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 50.51 111.111 177.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -60.6 -35.89 77.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 50.51 111.151 -177.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 92.6 mmm -59.44 -25.91 64.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.421 . . . . 50.51 111.194 178.026 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 47.1 mm -89.48 -41.4 13.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.462 . . . . 50.51 111.149 177.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 97.1 mt -57.14 -36.31 51.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 50.51 111.258 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 99.5 m-20 -74.14 -9.97 59.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 50.55 111.254 -175.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -116.41 101.4 53.75 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 50.62 111.246 -178.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_exo -55.08 -25.07 43.42 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 C-N-CA 121.683 1.589 . . . . 50.51 111.137 -177.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 74.7 ttt180 -48.4 -38.24 19.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.287 -0.415 . . . . 50.64 111.21 179.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -115.33 39.54 2.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 50.51 111.225 -177.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 93.5 p -55.58 -28.5 55.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 50.51 111.191 179.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.68 -39.8 94.29 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 50.51 111.209 177.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' A' ' 21' ' ' PHE . 84.8 mt -74.89 -31.73 61.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 50.51 111.235 177.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.27 -38.16 85.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 50.51 111.249 173.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -75.61 -33.88 60.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 50.51 111.184 175.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 64.2 tp -53.95 -44.86 71.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 50.51 111.21 176.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 73.3 p -65.07 -17.95 64.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 50.51 111.218 -179.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -89.4 -11.12 44.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 50.62 111.223 -179.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -72.1 140.02 48.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 50.51 111.239 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 87.7 tttt . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 50.51 111.209 -179.865 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.728 0.299 . . . . 50.51 111.169 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -64.98 -27.37 68.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 50.55 111.198 -177.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.417 ' H ' ' HB2' ' A' ' 16' ' ' GLU . 42.0 p -123.95 175.06 7.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 50.51 111.234 179.683 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -63.0 -42.74 99.93 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.195 -0.457 . . . . 50.51 111.184 178.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -65.23 -41.27 94.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 50.62 111.193 178.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.417 ' HB2' ' H ' ' A' ' 13' ' ' THR . 45.2 mt-10 -61.71 -41.55 97.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.221 -0.445 . . . . 50.62 111.142 177.534 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.86 -42.24 95.03 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.25 -0.432 . . . . 50.51 111.157 -179.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -64.27 -45.95 85.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 50.51 111.244 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 88.4 mt-30 -67.73 -45.57 74.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 50.55 111.202 -179.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.46 -33.29 75.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 50.51 111.186 178.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.41 ' HA ' HD13 ' A' ' 52' ' ' LEU . 86.8 t80 -64.0 -48.82 74.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 50.51 111.218 177.412 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -60.63 -38.62 85.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.283 -0.417 . . . . 50.51 111.106 178.28 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -66.9 -42.61 85.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 50.62 111.164 177.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.14 -35.01 79.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 50.51 111.173 178.355 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.449 HD12 ' HA ' ' A' ' 25' ' ' LEU . 0.5 OUTLIER -55.32 -44.04 75.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.259 -0.428 . . . . 50.51 111.157 175.719 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -66.31 -40.48 89.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 50.51 111.256 176.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -64.96 -25.25 67.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 50.62 111.247 178.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.431 ' HD2' ' HA ' ' A' ' 28' ' ' LYS . 26.3 mmmt -99.91 7.45 44.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 50.51 111.202 -178.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 55.21 39.92 31.54 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 50.64 111.19 178.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.422 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 98.9 t -69.91 122.8 87.19 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 116.226 -0.443 . . . . 50.51 111.249 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 30' ' ' VAL . 52.5 Cg_exo -55.02 140.64 80.01 Favored 'Trans proline' 0 N--CA 1.457 -0.63 0 C-N-CA 121.783 1.655 . . . . 50.51 111.144 -178.05 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 95.9 p -67.34 -17.52 64.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 50.51 111.134 179.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -95.79 3.12 54.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.257 -0.429 . . . . 50.55 111.183 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.77 143.81 43.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 50.51 111.149 179.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 80.1 p -73.36 173.22 9.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 50.51 111.187 179.283 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 92.1 t90 -60.74 -45.23 95.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 50.51 111.241 176.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -64.47 -41.16 96.67 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.176 -0.466 . . . . 50.62 111.192 179.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 72.1 tp60 -63.86 -45.92 87.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 50.55 111.237 178.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -62.44 -37.54 86.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 50.51 111.218 178.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 60.8 tpp -65.14 -45.96 82.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 50.51 111.2 178.328 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -61.46 -36.93 81.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 50.51 111.131 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 91.8 mmm -59.69 -25.38 64.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 50.51 111.207 177.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 43.5 mm -89.65 -41.27 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 50.51 111.239 177.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 98.0 mt -55.73 -39.38 55.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 50.51 111.232 179.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -64.9 -25.04 67.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.482 . . . . 50.55 111.178 -177.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.476 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 65.8 t0 -97.81 104.57 22.18 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.127 -0.488 . . . . 50.62 111.229 -178.196 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' A' ' 46' ' ' ASP . 76.7 Cg_exo -55.99 -26.67 60.06 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 121.729 1.619 . . . . 50.51 111.198 -176.687 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 48.1 ttp180 -54.79 -32.39 60.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 50.64 111.214 -178.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 74.1 m-85 -112.38 34.77 4.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.27 -0.423 . . . . 50.51 111.162 -177.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 93.9 p -55.09 -30.48 59.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.264 -0.425 . . . . 50.51 111.173 178.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.64 -36.4 82.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 50.51 111.249 176.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.41 HD13 ' HA ' ' A' ' 21' ' ' PHE . 96.5 mt -81.91 -26.83 33.75 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 50.51 111.173 179.602 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.53 -26.58 65.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.288 -0.414 . . . . 50.51 111.161 176.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -64.12 -20.07 65.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 50.51 111.242 -179.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 96.3 mt -64.49 -20.77 66.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 50.51 111.165 -179.195 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 80.7 p -64.9 -21.6 66.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.276 -0.42 . . . . 50.51 111.171 177.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -103.99 -33.99 8.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 50.62 111.238 177.343 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -69.5 -23.15 63.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 50.51 111.206 179.01 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.435 ' HG2' ' O ' ' A' ' 59' ' ' LYS . 87.4 tttt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 50.51 111.187 179.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.571 ' CD1' ' N ' ' A' ' 11' ' ' TRP . 1.8 m0 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.877 0.37 . . . . 50.51 111.242 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -69.88 -29.85 67.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.455 . . . . 50.55 111.146 -178.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 44.3 p -116.07 166.42 12.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.451 . . . . 50.51 111.209 179.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -60.91 -33.62 73.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 50.51 111.215 177.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -67.24 -46.74 72.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 50.62 111.145 178.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -63.5 -36.24 83.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.436 . . . . 50.62 111.221 178.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.34 -44.18 95.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 50.51 111.235 177.023 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -64.79 -35.54 81.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.268 -0.424 . . . . 50.51 111.188 178.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -64.22 -44.61 91.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 50.55 111.197 178.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.07 -39.58 92.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 50.51 111.213 176.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 17.2 m-30 -60.56 -46.58 89.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 50.51 111.171 177.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -61.48 -40.45 94.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 50.51 111.262 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -58.39 -47.67 83.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 50.62 111.204 177.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.04 -37.25 86.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.158 -0.474 . . . . 50.51 111.205 177.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.454 HD12 ' HA ' ' A' ' 25' ' ' LEU . 0.3 OUTLIER -60.84 -36.44 79.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 50.51 111.143 178.619 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -69.98 -42.33 73.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.276 -0.42 . . . . 50.51 111.19 176.044 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -65.17 -27.85 68.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 50.62 111.194 178.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -96.49 6.18 49.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 50.51 111.186 179.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 41.41 55.95 3.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 50.64 111.239 -178.08 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.454 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 99.3 t -67.56 121.98 81.39 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 50.51 111.121 -179.516 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' ' 30' ' ' VAL . 50.1 Cg_exo -54.96 142.25 76.57 Favored 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 121.725 1.617 . . . . 50.51 111.22 -177.344 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 95.2 p -66.85 -17.75 65.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 50.51 111.215 179.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -87.45 -11.17 49.86 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.18 -0.464 . . . . 50.55 111.202 179.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -77.48 144.85 37.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 50.51 111.244 179.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 83.4 p -78.56 166.85 22.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 50.51 111.211 178.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 76.6 t-105 -58.57 -44.74 89.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 50.51 111.222 176.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -53.49 -46.23 69.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 50.62 111.199 177.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 89.9 mt-30 -68.5 -40.03 81.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 50.55 111.21 179.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -55.67 -37.66 68.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 50.51 111.199 177.114 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 34.9 mmt -74.38 -42.22 59.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 50.51 111.226 178.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -59.44 -29.42 67.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 50.51 111.188 179.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 91.6 mtp -73.31 -20.04 60.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 50.51 111.201 -177.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 47.1 pt -109.34 -13.53 10.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 50.51 111.177 178.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 79.7 mt -79.86 -42.78 22.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 50.51 111.196 174.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -70.4 -20.64 62.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 50.55 111.219 177.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.425 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 67.2 t0 -88.49 108.47 22.74 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 50.62 111.174 178.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 46' ' ' ASP . 77.5 Cg_exo -55.02 -26.53 50.13 Favored 'Trans proline' 0 N--CA 1.458 -0.589 0 C-N-CA 121.684 1.589 . . . . 50.51 111.174 -175.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -60.03 -28.98 68.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 50.64 111.251 -178.069 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 -115.74 30.83 7.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 50.51 111.222 -179.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 93.4 p -59.17 -24.58 63.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 50.51 111.163 177.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.68 -35.64 81.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 50.51 111.197 175.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 90.5 mt -78.63 -31.21 46.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.454 . . . . 50.51 111.259 177.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.65 -41.59 81.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 50.51 111.218 173.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -74.54 -35.06 63.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 50.51 111.223 175.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 56.8 tp -59.95 -36.4 77.0 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 50.51 111.206 -179.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 60.5 p -62.72 -17.16 60.33 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.137 -0.483 . . . . 50.51 111.162 -179.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -101.69 -33.78 9.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 50.62 111.145 176.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -68.65 -29.99 68.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 50.51 111.25 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.126 -0.488 . . . . 50.51 111.162 -178.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.725 0.298 . . . . 50.51 111.224 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -69.16 -44.61 71.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.441 . . . . 50.55 111.225 178.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 53.5 p -132.11 174.99 9.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 50.51 111.203 178.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -61.28 -33.96 74.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 50.51 111.221 176.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -69.08 -32.26 71.58 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.215 -0.448 . . . . 50.62 111.187 178.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -67.57 -38.67 84.43 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 50.62 111.214 175.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.32 -39.17 93.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.225 -0.443 . . . . 50.51 111.141 174.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -63.12 -42.78 99.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 50.51 111.188 176.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -60.37 -40.3 90.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 50.55 111.223 177.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.88 -41.99 98.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 50.51 111.167 176.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -60.55 -45.42 93.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.44 . . . . 50.51 111.227 177.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -62.5 -44.8 95.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 50.51 111.144 -178.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -63.78 -40.24 96.21 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 50.62 111.21 179.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.0 -39.55 93.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 50.51 111.228 177.347 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.42 HD12 ' HA ' ' A' ' 25' ' ' LEU . 0.9 OUTLIER -62.49 -36.83 83.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 50.51 111.171 177.928 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -67.64 -42.41 82.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 50.51 111.185 175.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -62.82 -31.41 72.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 50.62 111.192 178.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.403 ' HA ' ' HD2' ' A' ' 28' ' ' LYS . 29.2 mmmt -98.84 10.7 40.73 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 50.51 111.248 -179.402 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 39.96 55.57 2.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 50.64 111.209 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.404 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 95.5 t -70.24 121.66 83.88 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 50.51 111.167 -179.614 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 30' ' ' VAL . 52.4 Cg_exo -54.91 143.85 70.14 Favored 'Trans proline' 0 N--CA 1.458 -0.575 0 C-N-CA 121.671 1.581 . . . . 50.51 111.197 -176.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 95.5 p -68.73 -16.47 63.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.159 -0.473 . . . . 50.51 111.238 179.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -94.94 -0.26 54.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 50.55 111.215 179.203 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -81.43 145.03 30.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 50.51 111.153 178.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 83.2 p -73.8 170.6 14.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 50.51 111.141 179.211 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 31.2 t-105 -63.39 -40.91 98.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 50.51 111.212 176.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -57.28 -47.54 81.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.483 . . . . 50.62 111.183 175.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 72.3 tp60 -62.82 -43.08 99.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 50.55 111.152 177.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -55.0 -42.58 72.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.224 -0.444 . . . . 50.51 111.222 179.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 78.0 mtm -67.44 -46.51 72.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 50.51 111.21 178.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -57.69 -33.73 68.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 50.51 111.158 -178.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 92.2 mmm -62.88 -34.46 77.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 50.51 111.236 179.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 41.1 pt -98.89 -13.23 8.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 50.51 111.244 -176.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 71.0 mt -73.67 -34.92 42.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 50.51 111.223 174.046 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -72.67 -16.92 61.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 50.55 111.225 177.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.401 ' HA ' ' HD2' ' A' ' 47' ' ' PRO . 67.2 t0 -92.05 109.53 38.05 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 50.62 111.209 178.29 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 46' ' ' ASP . 41.9 Cg_endo -59.72 -19.78 55.25 Favored 'Trans proline' 0 N--CA 1.457 -0.619 0 C-N-CA 121.759 1.639 . . . . 50.51 111.199 -175.47 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 85.0 mtm180 -67.6 -25.75 65.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 50.64 111.248 -178.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 77.1 m-85 -115.06 33.17 5.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 50.51 111.202 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 91.8 p -58.19 -25.99 62.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 50.51 111.187 177.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.66 -40.68 97.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 50.51 111.231 176.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 94.4 mt -74.07 -33.24 63.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 50.51 111.266 176.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.26 -40.75 91.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 50.51 111.218 176.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -74.08 -40.75 62.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 50.51 111.242 176.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 60.5 tp -57.1 -39.27 74.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 50.51 111.133 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 56.3 p -62.34 -19.92 63.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.221 -0.445 . . . . 50.51 111.221 -179.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -95.99 -31.16 13.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 50.62 111.154 176.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -65.12 -34.91 79.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.278 -0.419 . . . . 50.51 111.198 178.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.563 ' O ' ' HG3' ' A' ' 59' ' ' LYS . 55.1 tptt . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.256 -0.429 . . . . 50.51 111.155 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.528 ' CD1' ' N ' ' A' ' 11' ' ' TRP . 5.8 m0 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.809 0.338 . . . . 50.51 111.19 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -81.87 -17.4 47.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 50.55 111.199 -178.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 44.1 p -125.03 168.98 12.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 50.51 111.162 179.046 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -65.24 -33.18 75.38 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.171 -0.468 . . . . 50.51 111.231 177.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -69.08 -44.05 73.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 50.62 111.232 178.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -66.6 -37.7 85.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.265 -0.425 . . . . 50.62 111.174 178.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.38 -48.96 75.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.253 -0.431 . . . . 50.51 111.219 177.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -66.17 -33.2 75.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 50.51 111.169 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 72.3 tp60 -61.02 -49.13 78.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 50.55 111.145 176.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.81 -36.58 84.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.306 -0.406 . . . . 50.51 111.139 177.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 18.2 m-30 -59.88 -46.39 89.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 50.51 111.26 175.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -61.69 -38.59 88.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 50.51 111.189 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -59.81 -47.47 85.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 50.62 111.193 177.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.0 -35.67 81.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 50.51 111.211 176.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.457 HD12 ' HA ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -62.49 -36.99 84.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 50.51 111.146 178.879 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -67.41 -42.64 82.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.21 -0.45 . . . . 50.51 111.151 175.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 53.1 tp10 -62.51 -32.0 72.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 50.62 111.2 177.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.683 ' HA ' ' HE2' ' A' ' 28' ' ' LYS . 10.2 mmpt? -96.55 12.02 33.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 50.51 111.15 -179.285 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 40.01 55.08 2.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 50.64 111.138 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.474 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 98.9 t -73.88 120.02 79.11 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.254 -0.43 . . . . 50.51 111.197 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.474 ' HD3' ' HA ' ' A' ' 30' ' ' VAL . 63.9 Cg_exo -55.06 145.03 66.21 Favored 'Trans proline' 0 N--CA 1.457 -0.634 0 C-N-CA 121.708 1.605 . . . . 50.51 111.208 -176.49 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 94.9 p -67.71 -15.55 63.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.454 . . . . 50.51 111.166 178.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -93.04 -3.15 54.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 50.55 111.268 179.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -79.17 145.04 33.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.088 -0.505 . . . . 50.51 111.222 178.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 68.3 p -76.76 164.01 26.26 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.442 . . . . 50.51 111.206 -179.19 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 77.0 t-105 -56.11 -46.25 79.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.259 -0.428 . . . . 50.51 111.204 176.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -56.61 -48.06 78.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 50.62 111.176 178.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -61.84 -38.01 86.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 50.55 111.271 179.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -63.05 -39.53 94.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 50.51 111.128 177.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 37.1 mmt -68.68 -35.2 76.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 50.51 111.242 178.078 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -62.48 -36.75 83.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 50.51 111.203 177.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 97.7 mmm -63.54 -39.08 93.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 50.51 111.174 176.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 91.1 mt -65.9 -40.76 88.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 50.51 111.144 175.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 94.8 mt -64.98 -41.88 93.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 50.51 111.224 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 96.0 m-20 -64.82 -29.96 70.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.186 -0.461 . . . . 50.55 111.187 -176.131 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.412 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 66.8 t0 -91.58 107.13 19.8 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 50.62 111.192 -178.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 46' ' ' ASP . 65.7 Cg_exo -56.37 -26.23 61.34 Favored 'Trans proline' 0 N--CA 1.459 -0.545 0 C-N-CA 121.746 1.63 . . . . 50.51 111.131 -177.275 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -62.03 -27.02 68.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.439 . . . . 50.64 111.233 -177.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -115.02 29.41 8.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.183 -0.462 . . . . 50.51 111.179 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 95.6 p -60.34 -25.45 65.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.212 -0.449 . . . . 50.51 111.217 178.244 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.1 -37.66 88.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 50.51 111.167 175.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 90.3 mt -76.15 -32.81 59.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 50.51 111.238 176.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.27 -41.76 85.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 50.51 111.186 174.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -71.56 -40.23 70.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 50.51 111.286 175.267 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 60.2 tp -53.74 -42.71 68.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.469 . . . . 50.51 111.204 178.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 60.4 p -65.06 -19.74 66.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.264 -0.426 . . . . 50.51 111.245 -178.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -93.09 -20.89 20.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.474 . . . . 50.62 111.164 178.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -69.83 140.0 53.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.243 -0.435 . . . . 50.51 111.184 179.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 87.9 tttt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 50.51 111.193 -179.841 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 6.1 m95 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.815 0.341 . . . . 50.51 111.17 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -95.87 1.79 53.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 50.55 111.251 178.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 85.0 m -134.83 130.09 35.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 50.51 111.198 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -63.6 -43.04 98.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 50.51 111.213 -178.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -62.83 -40.1 96.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 50.62 111.138 -179.092 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -66.01 -38.58 88.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.264 -0.426 . . . . 50.62 111.173 178.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.54 -41.86 98.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 50.51 111.198 175.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -60.7 -40.66 93.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 50.51 111.185 178.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 72.7 tp60 -62.14 -42.08 98.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 50.55 111.26 176.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.13 -36.09 82.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 50.51 111.167 177.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -62.97 -42.13 99.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 50.51 111.138 176.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -65.97 -38.95 89.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 50.51 111.238 178.348 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -63.23 -45.02 93.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 50.62 111.173 178.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.1 -40.54 94.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 50.51 111.278 177.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.563 ' C ' HD23 ' A' ' 25' ' ' LEU . 8.1 tt -54.03 -45.16 71.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 50.51 111.181 176.253 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -69.58 -37.84 77.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 50.51 111.217 177.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -61.54 -32.56 72.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 50.62 111.196 178.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.657 ' HA ' ' HE2' ' A' ' 28' ' ' LYS . 10.9 mmpt? -95.08 10.83 34.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 50.51 111.256 179.376 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 39.9 54.9 2.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 50.64 111.219 -179.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.452 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 93.9 t -73.24 119.6 76.6 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 50.51 111.22 179.382 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 30' ' ' VAL . 52.8 Cg_exo -55.04 144.96 66.3 Favored 'Trans proline' 0 N--CA 1.457 -0.636 0 C-N-CA 121.764 1.643 . . . . 50.51 111.176 -176.253 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 94.6 p -65.47 -17.84 64.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 50.51 111.2 179.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -84.41 -11.54 56.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.467 . . . . 50.55 111.217 179.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -77.06 145.27 38.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.12 -0.491 . . . . 50.51 111.18 179.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 81.8 p -73.78 169.01 18.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 50.51 111.203 -179.276 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 90.0 t90 -59.39 -46.36 88.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 50.51 111.174 176.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -61.02 -40.68 94.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.252 -0.431 . . . . 50.62 111.182 178.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 72.9 tp60 -60.07 -42.19 94.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 50.55 111.203 177.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.41 -42.78 99.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 50.51 111.242 176.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 39.2 mmt -63.27 -37.03 85.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 50.51 111.215 179.145 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -66.88 -41.99 86.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 50.51 111.177 179.024 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 92.9 mmm -59.84 -35.06 73.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.243 -0.435 . . . . 50.51 111.215 177.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 96.5 mt -75.08 -46.0 40.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 50.51 111.165 178.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 84.3 mt -58.22 -39.75 74.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 50.51 111.287 -179.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -63.8 -21.49 66.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 50.55 111.182 -177.299 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -91.03 109.96 38.87 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.461 . . . . 50.62 111.229 -179.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_exo -56.54 -26.15 62.48 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 121.748 1.632 . . . . 50.51 111.213 -177.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -63.15 -24.92 68.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 50.64 111.188 -178.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 -114.96 35.09 4.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 50.51 111.176 178.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 92.1 p -59.31 -24.66 63.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 50.51 111.224 177.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.01 -45.47 85.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 50.51 111.151 174.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 78.5 mt -66.51 -34.18 77.35 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 50.51 111.213 177.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.55 -31.69 62.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 50.51 111.142 176.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -88.54 -37.23 15.88 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.257 -0.429 . . . . 50.51 111.19 178.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.417 ' HA ' ' HB2' ' A' ' 58' ' ' LYS . 86.5 mt -65.89 -18.69 65.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 50.51 111.221 179.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 60.1 p -63.11 -18.12 63.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.452 . . . . 50.51 111.231 178.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -115.0 -31.83 5.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 50.62 111.224 177.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.417 ' HB2' ' HA ' ' A' ' 55' ' ' LEU . 98.9 mttt -71.7 -26.81 62.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.168 -0.469 . . . . 50.51 111.205 -179.44 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 50.51 111.263 -179.059 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.697 ' CD1' ' N ' ' A' ' 11' ' ' TRP . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.82 0.343 . . . . 50.51 111.212 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -78.14 -31.13 49.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 50.55 111.142 -179.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 37.2 p -107.56 170.91 7.69 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.267 -0.424 . . . . 50.51 111.201 179.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -64.67 -36.16 83.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.167 -0.47 . . . . 50.51 111.142 178.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -68.03 -43.28 79.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 50.62 111.206 179.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -66.44 -36.73 83.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 50.62 111.249 178.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.98 -44.34 89.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 50.51 111.213 178.128 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -65.12 -38.19 89.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 50.51 111.174 178.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 72.3 tp60 -64.33 -44.75 90.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 50.55 111.155 178.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.0 -37.75 88.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 50.51 111.182 178.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -60.58 -49.26 78.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 50.51 111.199 175.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -64.98 -30.17 71.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 50.51 111.244 -179.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -61.0 -53.99 50.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 50.62 111.184 176.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.06 -34.98 79.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.266 -0.424 . . . . 50.51 111.163 177.099 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.486 ' C ' HD23 ' A' ' 25' ' ' LEU . 9.7 tt -52.96 -52.02 59.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 50.51 111.21 176.287 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -67.7 -40.76 84.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 50.51 111.188 179.153 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -68.75 -19.47 64.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 50.62 111.187 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.596 ' HE3' ' HA ' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -92.67 -0.01 57.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 50.51 111.27 178.055 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 58.36 42.03 22.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 50.64 111.143 -179.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.443 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 91.7 t -73.81 125.02 90.7 Favored Pre-proline 0 C--N 1.327 -0.392 0 CA-C-N 116.244 -0.435 . . . . 50.51 111.155 178.753 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 30' ' ' VAL . 51.9 Cg_exo -55.05 144.0 70.99 Favored 'Trans proline' 0 N--CA 1.458 -0.565 0 C-N-CA 121.67 1.58 . . . . 50.51 111.207 -178.276 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 94.6 p -68.22 -14.94 63.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 50.51 111.195 -179.005 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -92.31 -1.16 57.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 50.55 111.178 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -83.15 144.93 29.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 50.51 111.19 179.055 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 61.1 p -76.58 171.33 14.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 50.51 111.245 179.25 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 79.3 t90 -58.74 -43.71 90.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.217 -0.447 . . . . 50.51 111.174 176.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -66.56 -41.38 88.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 50.62 111.227 -179.141 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -64.88 -38.76 92.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 50.55 111.244 178.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.65 -45.09 95.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.483 . . . . 50.51 111.202 174.128 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 64.0 ttp -57.7 -45.04 86.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 50.51 111.134 177.103 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -59.4 -44.33 92.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.25 -0.432 . . . . 50.51 111.227 -179.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 97.7 mtp -62.71 -40.08 96.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 50.51 111.221 178.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 92.3 mt -63.77 -40.55 89.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.153 -0.476 . . . . 50.51 111.196 176.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 91.8 mt -64.25 -40.85 90.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 50.51 111.214 178.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -62.28 -25.93 68.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 50.55 111.255 -177.249 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.413 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 65.0 t0 -91.67 105.37 12.97 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 50.62 111.202 179.644 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 46' ' ' ASP . 71.2 Cg_exo -55.06 -30.18 68.93 Favored 'Trans proline' 0 N--CA 1.458 -0.565 0 C-N-CA 121.708 1.605 . . . . 50.51 111.155 -176.284 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -64.99 -29.89 70.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 50.64 111.128 -177.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 16.2 m-30 -100.1 23.31 10.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.27 -0.423 . . . . 50.51 111.228 -178.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 95.2 p -59.7 -25.0 64.42 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.118 -0.492 . . . . 50.51 111.223 -179.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.3 -34.87 75.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.155 -0.475 . . . . 50.51 111.136 176.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -88.12 -30.21 20.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.27 -0.423 . . . . 50.51 111.255 178.489 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.07 -40.87 77.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 50.51 111.218 174.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -75.68 -36.05 60.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 50.51 111.262 177.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 66.4 tp -55.57 -43.6 76.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 50.51 111.19 177.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 81.4 p -64.94 -20.93 66.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 50.51 111.204 -179.165 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -85.1 -7.56 59.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 50.62 111.214 179.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -94.94 -0.49 53.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 50.51 111.221 178.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 57.6 mttt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 50.51 111.217 -179.29 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 1.9 m95 . . . . . 0 N--CA 1.457 -0.105 0 CA-C-O 120.831 0.348 . . . . 50.51 111.195 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -75.05 -18.73 60.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.464 . . . . 50.55 111.17 177.323 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 81.4 m -129.81 120.68 25.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 50.51 111.193 179.306 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -63.0 -34.95 78.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.271 -0.422 . . . . 50.51 111.222 -178.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -64.49 -38.77 92.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 50.62 111.166 179.004 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -67.9 -39.05 83.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 50.62 111.21 177.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.21 -47.52 85.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 50.51 111.155 175.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -64.14 -36.85 85.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.258 -0.428 . . . . 50.51 111.18 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 65.7 tp60 -60.61 -48.6 81.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 50.55 111.197 178.045 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.25 -38.32 90.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 50.51 111.204 179.156 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 20.8 m-30 -63.7 -46.03 87.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 50.51 111.236 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -65.01 -42.5 94.39 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.191 -0.458 . . . . 50.51 111.236 -178.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -65.6 -40.4 92.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 50.62 111.228 -179.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -64.96 -42.99 94.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 50.51 111.17 175.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.607 ' C ' HD23 ' A' ' 25' ' ' LEU . 6.8 tt -55.67 -44.61 77.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 50.51 111.246 176.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -67.71 -39.01 84.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.426 . . . . 50.51 111.189 178.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -61.13 -37.33 82.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 50.62 111.225 178.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -91.78 4.09 53.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 50.51 111.142 178.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 40.57 55.16 2.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.46 . . . . 50.64 111.18 -178.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.431 ' HA ' ' HD3' ' A' ' 31' ' ' PRO . 88.5 t -65.67 123.59 85.07 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.436 . . . . 50.51 111.223 -178.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 30' ' ' VAL . 53.8 Cg_exo -55.11 144.94 67.18 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 121.678 1.585 . . . . 50.51 111.141 -176.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 94.7 p -67.52 -16.07 64.0 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.23 -0.441 . . . . 50.51 111.135 179.212 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -89.76 -4.75 57.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.207 -0.451 . . . . 50.55 111.269 179.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -76.25 145.01 40.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 50.51 111.186 178.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 80.9 p -71.34 165.0 24.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 50.51 111.263 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 91.3 t90 -56.92 -45.04 82.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 50.51 111.168 177.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -63.43 -43.22 98.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.232 -0.44 . . . . 50.62 111.194 179.255 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 72.8 tp60 -57.83 -43.32 85.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.184 -0.462 . . . . 50.55 111.27 177.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -61.77 -45.28 94.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 50.51 111.158 177.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 96.7 mmm -63.18 -34.56 77.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 50.51 111.167 -179.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -64.73 -43.55 93.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.429 . . . . 50.51 111.168 176.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 99.7 mmm -65.1 -34.94 79.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 50.51 111.142 177.033 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 88.7 mt -64.21 -45.06 97.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.221 -0.445 . . . . 50.51 111.166 176.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 93.4 mt -64.99 -36.07 76.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 50.51 111.172 177.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 99.6 m-20 -78.01 -2.86 39.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 50.55 111.092 -178.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.461 ' HA ' ' HD3' ' A' ' 47' ' ' PRO . 68.4 t0 -89.56 101.36 3.15 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.254 -0.43 . . . . 50.62 111.165 177.355 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 46' ' ' ASP . 72.1 Cg_exo -54.36 -29.45 58.26 Favored 'Trans proline' 0 N--CA 1.458 -0.606 0 C-N-CA 121.715 1.61 . . . . 50.51 111.258 -174.688 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 80.0 ttt180 -63.58 -32.45 73.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 50.64 111.225 -176.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 99.7 m-85 -124.0 4.96 8.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 50.51 111.169 -177.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 91.3 p -60.3 -27.39 67.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 50.51 111.177 179.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.09 -26.99 69.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.245 -0.434 . . . . 50.51 111.205 179.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 93.1 mt -103.23 -30.9 10.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 50.51 111.243 -179.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.81 -33.83 76.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 50.51 111.197 178.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -95.02 5.03 53.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 50.51 111.185 179.228 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 35.5 tp -61.77 -32.61 72.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 50.51 111.128 -178.545 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 95.8 p -64.94 -18.15 64.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 50.51 111.2 178.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -97.86 -31.33 12.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 50.62 111.182 175.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -64.2 -37.24 86.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.444 . . . . 50.51 111.255 178.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 86.5 tttt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 50.51 111.198 179.957 . . . . . . . . 0 0 . 1 stop_ save_