data_2mv6_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 2mv6 _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 24' ' ' LEU . . . . . . . . . . . . . 2.1 tp . . . . . 0 C--O 1.233 0.217 0 CA-C-O 120.847 0.356 . . . . 0.0 110.467 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 24.3 t -59.98 -42.23 88.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.635 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 42.4 t -61.37 -41.63 90.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.608 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 22.4 mt -65.85 -41.66 90.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.483 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.9 mt -59.91 -37.0 78.19 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-O 121.052 0.453 . . . . 0.0 110.685 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 55.9 t -73.18 -36.45 50.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.631 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.1 mp -66.97 -42.94 84.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.652 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.9 -44.37 97.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.587 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.92 -49.2 77.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.617 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 97.7 t -55.99 -42.66 72.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.442 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.1 tp -65.74 -35.65 81.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.534 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.9 -46.81 80.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.557 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.2 mp -62.5 -36.73 83.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.563 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.21 -43.19 92.33 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.622 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.72 -45.68 92.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.709 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 66.2 m-70 -60.39 -49.02 79.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.525 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.2 mtt-85 -58.66 -42.82 89.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.512 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 44.4 mtt180 -61.21 -40.81 95.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.621 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.96 -47.17 86.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.559 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.6 tp -56.01 -39.35 71.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.594 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.3 tttm -70.65 -44.16 67.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.657 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -59.16 -38.48 79.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.51 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.0 mtpt . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.58 -179.996 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.813 0.339 . . . . 0.0 110.541 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 92.5 t -65.29 -39.83 86.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.49 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 77.7 t -56.7 -48.85 80.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.462 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 33.3 mt -60.05 -44.98 96.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.551 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.82 -44.86 82.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.519 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.6 t -56.6 -47.13 82.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.471 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.5 mp -64.53 -34.52 78.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.59 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.01 -53.28 59.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.438 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.77 -47.03 88.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.486 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 92.4 t -54.3 -46.11 68.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.463 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.91 -39.19 90.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.483 179.788 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.33 -44.83 95.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.545 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.0 mt -63.57 -42.64 98.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.498 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.67 -40.52 83.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.469 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.26 -48.39 80.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.616 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -59.56 -39.47 84.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.548 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.37 -46.09 88.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.63 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -61.6 -41.71 97.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.569 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.82 -48.9 72.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.498 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.8 tp -57.44 -34.54 69.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.575 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 20.3 tttp -70.1 -49.17 53.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.438 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -56.44 -26.32 53.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.652 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.602 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.1 tp . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.792 0.33 . . . . 0.0 110.622 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 42.5 t -56.44 -44.36 80.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.5 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 67.1 t -60.87 -47.13 94.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.608 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 90.5 mt -58.95 -47.27 90.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.469 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.1 mt -51.65 -45.48 63.37 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.495 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 56.7 t -60.85 -50.07 82.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.487 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.53 -40.28 86.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.624 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.6 tp -59.68 -47.8 84.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.556 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -59.56 -41.65 90.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.641 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 72.9 t -54.95 -53.93 28.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.433 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.4 mp -57.19 -35.21 69.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.352 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.428 ' O ' ' OG ' ' A' ' 38' ' ' SER . . . -65.81 -46.79 77.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.549 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.9 mp -60.52 -39.02 86.32 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.54 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.3 mp -66.31 -41.79 89.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.632 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.559 ' HG ' ' N ' ' A' ' 39' ' ' HIS . 88.2 p -61.59 -42.35 98.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.553 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.559 ' N ' ' HG ' ' A' ' 38' ' ' SER . 14.5 m170 -66.93 -36.95 83.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.518 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -65.45 -41.09 93.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.584 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.6 tpp180 -65.85 -36.47 83.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.602 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.44 -40.5 81.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.682 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.8 -36.64 84.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.638 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.0 tttp -67.56 -40.56 84.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.713 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -67.63 -37.83 83.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.563 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.2 tttm . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.56 -179.925 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.7 tp . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.783 0.325 . . . . 0.0 110.571 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 58.4 t -63.29 -42.21 95.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.54 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 72.0 t -57.92 -43.4 84.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.409 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 14.5 mt -69.05 -42.59 82.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.632 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.4 mp -58.64 -39.03 79.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.529 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 23.6 t -68.53 -40.43 82.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.566 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.4 mp -67.73 -39.46 84.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.525 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.2 mt -59.98 -43.23 95.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.404 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -63.96 -44.13 93.68 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.523 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 56.0 t -53.54 -47.88 59.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.396 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.5 mt -66.12 -38.4 88.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.356 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.27 -40.79 97.41 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.486 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.4 tp -66.82 -44.57 80.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.643 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.76 -41.66 82.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.587 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 75.0 m -62.81 -44.7 95.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.497 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -58.4 -43.56 88.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.561 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.3 tpp85 -63.62 -44.41 94.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.601 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 57.4 mtp180 -60.03 -43.79 95.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.549 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.65 -43.64 89.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.486 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.85 -45.92 90.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.514 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.9 tttm -57.94 -39.4 77.95 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.607 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -65.6 -41.05 93.23 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.638 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.4 tttm . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.648 -179.975 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.0 tp . . . . . 0 N--CA 1.456 -0.138 0 CA-C-O 120.858 0.361 . . . . 0.0 110.522 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 41.9 t -56.9 -47.33 83.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.47 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 92.9 t -55.54 -46.79 79.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.455 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.4 mt -62.65 -41.91 94.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.444 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.19 -43.97 98.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.667 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 70.7 t -61.52 -44.19 98.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.494 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.5 tp -63.12 -43.51 98.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.502 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.57 -47.05 83.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.324 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -56.61 -45.02 81.71 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.526 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 41.8 t -56.05 -52.07 54.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.539 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.76 -32.44 71.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.441 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.88 -52.15 61.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.601 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.4 mp -59.57 -39.56 84.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.479 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.9 mp -58.44 -47.82 82.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.609 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.23 -40.2 95.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.454 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -59.23 -44.81 92.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.618 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.6 mtp85 -64.6 -43.09 94.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.566 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.2 ttt-85 -58.92 -42.8 90.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.668 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.73 -46.46 85.26 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.576 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.04 -38.35 82.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.573 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 26.2 mmtt -63.73 -46.81 83.7 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.542 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -61.82 -36.41 81.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.748 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.645 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.7 mp . . . . . 0 N--CA 1.458 -0.062 0 CA-C-O 120.872 0.368 . . . . 0.0 110.418 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 98.2 t -66.03 -44.08 92.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.444 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 67.1 t -56.08 -41.79 70.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.704 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 14.4 mt -68.16 -41.98 84.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.617 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.3 mp -62.5 -37.26 85.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.632 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 24.6 t -63.9 -45.03 98.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.602 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.53 -37.99 88.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.454 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.2 mt -56.13 -48.84 75.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.482 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.74 -43.13 99.46 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.502 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 43.4 t -58.91 -43.91 89.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.421 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.6 mt -67.8 -32.57 73.23 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.457 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.04 -38.3 75.8 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.587 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.1 mt -65.59 -38.51 89.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.462 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.75 -39.13 80.47 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.564 -179.802 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.26 -45.6 92.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.389 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.85 -43.29 96.57 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.509 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 30.3 mmm-85 -57.63 -44.24 85.41 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.514 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.9 tpp180 -63.46 -48.21 78.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.704 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -53.23 -47.77 68.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.547 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.8 mt -58.23 -43.22 87.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.597 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.0 tttt -62.29 -42.32 99.26 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.469 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 53.3 mm-40 -62.98 -38.43 91.11 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.532 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.327 -0.395 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.64 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.4 tp . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.789 0.328 . . . . 0.0 110.607 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 20.2 t -60.5 -43.58 94.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.669 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 82.9 t -64.38 -43.37 97.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.616 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 40.5 mt -62.75 -41.53 92.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.53 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.51 -48.32 82.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.586 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 57.3 t -61.82 -42.2 93.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.558 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.9 tp -60.26 -45.79 92.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.628 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.6 mp -59.87 -39.23 84.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.642 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.456 ' H ' ' HG1' ' A' ' 32' ' ' THR . 0.0 OUTLIER -66.46 -42.36 87.66 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.658 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 73.5 t -57.1 -47.22 84.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.458 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.8 mt -65.69 -32.59 74.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.527 179.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.37 -42.08 84.02 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.51 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.12 -40.82 98.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.517 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.38 -41.61 98.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.539 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.59 -42.85 99.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.587 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.98 -48.84 79.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.617 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 13.7 mmt85 -59.34 -46.36 88.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.564 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -55.07 -42.49 72.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.579 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.53 -44.18 91.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.46 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.9 mp -55.27 -38.15 68.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.573 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.2 tptt -67.92 -50.59 55.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.671 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -59.86 -30.01 68.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.593 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 32.7 mttt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.558 179.881 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.737 0.303 . . . . 0.0 110.532 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 89.2 t -72.84 -37.56 55.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.615 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 90.2 t -57.75 -51.14 73.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.591 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.6 mp -61.85 -50.89 78.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.506 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.5 mp -51.33 -47.4 62.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.517 -179.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 71.6 t -62.64 -45.06 99.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.525 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.5 mt -61.58 -42.56 99.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.591 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.42 -39.25 86.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.396 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.32 -41.16 90.07 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.424 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 40.3 t -55.42 -44.2 74.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.353 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.6 mt -66.72 -37.23 84.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.376 179.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.02 -44.65 87.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.493 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.6 mp -66.0 -42.28 89.96 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.569 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.1 mt -58.73 -44.32 90.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.554 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.5 m -61.43 -46.39 90.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.578 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 16.6 t-80 -59.52 -39.97 85.61 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.553 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 19.0 mtp85 -67.4 -42.98 82.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.583 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.75 -42.51 97.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.647 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.4 -53.33 44.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.563 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.2 tp -47.42 -40.84 18.87 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.58 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 18.7 tttt -70.05 -47.11 63.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.476 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -68.11 -11.83 59.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.578 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 75.5 tttt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.52 179.976 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.7 tp . . . . . 0 N--CA 1.457 -0.094 0 CA-C-O 120.845 0.355 . . . . 0.0 110.581 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.4 t -60.59 -45.8 96.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.658 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 39.1 t -60.61 -39.68 82.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.576 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 20.3 mt -65.46 -41.95 92.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.543 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.77 -46.86 86.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.544 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 35.5 t -59.55 -43.43 90.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.615 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.63 -47.3 84.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.537 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.3 tp -55.29 -41.2 71.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.597 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.93 -47.8 81.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.495 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 90.0 t -56.36 -43.42 77.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.552 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 tp -64.78 -38.41 90.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.588 179.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.87 -45.46 93.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.658 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.5 mp -62.95 -45.73 91.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.538 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.7 mt -59.57 -41.31 89.93 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.599 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.1 p -59.79 -46.93 87.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.545 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 5.7 m80 -54.92 -47.74 74.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.652 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 21.2 ttp180 -63.8 -43.9 94.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.527 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 21.2 mtp85 -60.85 -40.34 92.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.525 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.51 -41.57 98.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.577 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 tt -60.84 -48.2 82.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.62 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -57.32 -51.97 67.22 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.63 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -50.67 -43.92 57.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.538 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.612 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.457 -0.104 0 CA-C-O 120.816 0.341 . . . . 0.0 110.506 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 63.2 t -62.59 -52.27 61.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.421 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 41.5 t -51.18 -48.17 31.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.475 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 81.6 mt -60.46 -43.95 95.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.538 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.432 ' O ' ' OG1' ' A' ' 32' ' ' THR . 1.0 OUTLIER -56.57 -40.99 76.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.44 179.746 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 48.7 t -62.13 -48.04 90.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.63 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.2 mp -57.36 -44.82 84.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.628 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.4 mp -59.96 -42.43 94.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.562 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.432 ' OG1' ' O ' ' A' ' 28' ' ' LEU . 0.1 OUTLIER -60.65 -49.49 77.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.566 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 86.5 t -56.68 -46.2 82.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.519 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.0 tp -62.07 -29.93 70.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.583 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.65 -54.43 10.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.584 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.2 mt -57.37 -37.74 73.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.588 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.79 -47.16 86.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.638 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.7 t -62.89 -45.57 91.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.615 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.415 ' CD2' ' C ' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -59.27 -43.59 92.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.517 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 16.6 mmt180 -61.28 -40.62 94.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.64 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.4 ttt-85 -65.27 -42.31 93.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.534 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.14 -49.56 77.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.446 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -58.81 -40.84 85.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.803 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 53.0 tttm -58.08 -50.21 74.26 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.611 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -65.05 -31.36 72.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.63 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 89.0 tttt . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.651 -179.83 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.5 mt . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.789 0.328 . . . . 0.0 110.543 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 95.4 t -60.11 -44.5 95.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.564 -179.263 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 16.2 t -62.14 -43.84 98.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.58 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.5 mm -56.28 -41.75 71.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.578 179.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.45 -49.18 70.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.504 179.795 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 96.8 t -59.44 -40.06 80.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.513 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.2 tp -62.32 -45.69 92.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.544 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.0 tp -57.08 -41.93 79.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.542 -179.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.33 -43.47 97.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.613 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 82.7 t -56.28 -46.19 81.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.523 179.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.0 mp -64.96 -38.99 92.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.562 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.32 -48.71 80.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.581 -179.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.8 mp -63.06 -45.14 93.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.599 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.7 tp -59.4 -43.13 93.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.66 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.683 ' HG ' ' N ' ' A' ' 39' ' ' HIS . 0.2 OUTLIER -59.6 -48.68 80.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.557 179.502 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.683 ' N ' ' HG ' ' A' ' 38' ' ' SER . 56.7 t60 -59.88 -42.37 93.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.522 -179.784 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.5 tpt180 -61.19 -43.96 98.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.696 -179.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.7 mmm-85 -64.75 -40.34 95.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.585 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.09 -42.02 94.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.492 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.55 -34.71 78.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.607 -179.088 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.2 tttp -66.55 -49.77 65.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.565 179.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -54.75 -43.15 72.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.515 179.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.0 mmtm . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.598 179.819 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.457 -0.099 0 CA-C-O 120.904 0.383 . . . . 0.0 110.469 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 75.6 t -60.95 -44.7 98.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.637 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 86.4 t -55.98 -43.04 73.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.554 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.6 mp -70.43 -44.69 77.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.452 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.3 tt -54.69 -41.65 70.49 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.606 -179.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 94.8 t -65.95 -51.24 63.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.579 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.49 -32.73 67.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.478 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.13 -45.98 82.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.632 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.499 ' H ' ' HG1' ' A' ' 32' ' ' THR . 0.1 OUTLIER -65.07 -38.49 90.98 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.632 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 59.4 t -59.54 -46.18 93.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.305 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.1 mp -64.36 -31.44 72.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.428 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.78 -44.61 63.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.69 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.94 -41.83 88.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.549 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.4 mp -62.21 -45.65 92.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.585 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 74.4 m -59.59 -45.32 92.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.441 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -59.23 -37.8 78.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.536 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.37 -53.64 49.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.529 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 64.8 mtp180 -56.23 -41.33 75.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.455 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.86 -47.73 82.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.676 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.83 -43.65 81.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.701 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 16.6 mttp -63.94 -44.2 93.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.558 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -60.46 -36.71 78.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.618 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 28.7 mttt . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.634 179.982 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.6 mt . . . . . 0 C--O 1.233 0.211 0 CA-C-O 120.772 0.32 . . . . 0.0 110.564 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 99.1 t -67.3 -37.05 78.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.426 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 24.4 t -65.55 -41.18 90.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.543 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 86.8 mt -62.74 -44.62 99.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.633 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.1 tt -57.14 -49.11 76.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.497 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 42.7 t -57.12 -42.53 79.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.346 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -59.47 -43.94 93.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.639 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.6 tp -62.65 -44.81 95.32 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.231 179.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.457 ' H ' ' HG1' ' A' ' 32' ' ' THR . 0.0 OUTLIER -58.41 -46.54 86.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.609 179.827 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 53.7 t -55.66 -42.89 71.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.467 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.1 mp -64.26 -39.41 93.89 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.459 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.14 -41.0 95.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.564 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.5 mp -64.41 -41.1 96.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.526 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.7 -35.46 80.64 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.565 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.6 p -68.24 -47.48 67.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.669 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 4.1 m80 -58.25 -44.59 88.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.401 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.503 HH11 ' CG ' ' A' ' 40' ' ' ARG . 0.1 OUTLIER -58.25 -44.92 88.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.535 179.888 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.07 -49.46 77.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.577 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.82 -45.39 86.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.523 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.09 -45.25 89.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.612 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.2 tptt -55.92 -38.88 70.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.531 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -70.77 -48.49 54.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.581 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.7 tttm . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.526 -179.965 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.3 tp . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.792 0.33 . . . . 0.0 110.579 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 44.6 t -64.91 -49.11 81.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.591 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 61.2 t -53.49 -45.46 58.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.53 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.407 HD12 HG21 ' A' ' 27' ' ' ILE . 77.6 mt -60.32 -49.38 84.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.563 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -51.27 -45.31 62.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.578 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.5 t -61.95 -49.6 83.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.596 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -60.82 -34.73 74.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.552 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.95 -51.13 69.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.594 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -61.61 -37.57 84.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.514 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 70.1 t -59.9 -43.71 92.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.574 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.33 -34.3 75.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.522 179.579 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.17 -49.12 63.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.553 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.4 mt -54.19 -46.61 72.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.565 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 mt -59.39 -48.85 80.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.564 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.4 m -60.39 -42.95 96.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.583 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -62.45 -42.82 99.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.527 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.3 ttm180 -61.41 -39.79 92.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.571 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 -61.89 -51.2 69.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.555 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.26 -38.64 74.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.507 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.33 -40.79 81.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.568 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.8 mtpm? -63.17 -45.32 92.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.555 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -57.16 -48.04 79.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.626 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.1 tptt . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.548 -179.676 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.787 0.327 . . . . 0.0 110.427 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 48.9 t -65.82 -47.62 85.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.568 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 77.5 t -56.75 -44.89 82.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.434 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 80.1 mt -60.86 -48.36 89.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.544 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.9 tp -53.72 -45.65 70.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.604 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.426 ' O ' ' OG1' ' A' ' 32' ' ' THR . 69.2 t -63.54 -44.54 98.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.579 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.9 tp -61.48 -42.15 98.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.47 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.07 -43.12 99.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.423 -179.754 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.426 ' OG1' ' O ' ' A' ' 29' ' ' VAL . 0.1 OUTLIER -57.94 -46.34 85.22 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.535 179.952 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 80.2 t -56.75 -41.73 75.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.315 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.3 mp -67.91 -38.47 82.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.573 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.86 -40.86 95.82 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.643 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.69 -46.73 81.14 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.518 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.86 -41.48 74.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.485 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.31 -39.83 85.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.476 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 57.6 t-80 -63.19 -36.68 84.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.646 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 63.6 ttt-85 -66.79 -48.78 67.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.554 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 10.0 mmm-85 -59.49 -32.4 70.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.545 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.86 -43.07 66.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.559 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.4 tp -55.4 -43.32 75.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.449 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.0 mmmm -67.86 -48.45 66.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.423 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -61.03 -21.86 64.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.525 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.1 ttpt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.516 -179.991 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.455 -0.222 0 CA-C-O 120.892 0.377 . . . . 0.0 110.766 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 99.3 t -59.91 -46.55 93.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.592 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 57.7 t -58.9 -38.98 76.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.571 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.7 mm -71.67 -34.27 51.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.62 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.14 -52.64 64.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.583 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 28.2 m -66.04 -33.73 65.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.507 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.8 tp -64.77 -46.09 83.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.331 -179.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.8 mt -60.45 -48.35 82.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.609 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -55.87 -48.62 75.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.588 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 43.0 t -54.63 -38.99 44.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.419 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -68.6 -40.25 80.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.698 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.42 -37.68 88.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.59 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.8 -45.95 87.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.472 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.7 mt -61.43 -45.65 93.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.74 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 41.7 t -58.0 -48.35 80.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.644 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -59.9 -51.2 70.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.554 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 41.6 ttt180 -52.91 -37.83 61.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.511 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 18.5 ttm-85 -63.69 -52.3 61.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.598 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.31 -33.24 73.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.52 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.4 mp -62.73 -43.73 98.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.619 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.7 ttpt -65.84 -38.69 89.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.579 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -64.95 -35.75 82.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.57 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.7 ttmm . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.594 -179.987 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.4 tp . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.812 0.339 . . . . 0.0 110.567 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 47.5 t -61.31 -37.49 77.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.535 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 86.5 t -64.82 -39.0 84.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.588 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 81.7 mt -63.87 -48.3 86.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.547 179.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.52 -42.81 79.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.495 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 38.9 t -63.66 -45.23 98.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.584 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.7 tp -65.53 -37.03 85.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.612 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.1 tp -59.79 -44.14 94.09 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.55 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.95 -37.03 83.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.51 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 97.1 t -61.36 -45.89 97.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.58 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.0 mt -65.8 -32.24 73.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.62 179.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.51 -43.02 81.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.55 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.25 -36.83 84.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.619 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.1 tp -61.05 -43.82 98.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.558 -179.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.0 m -68.4 -43.92 76.22 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.471 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -54.51 -45.13 73.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.529 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 27.0 ttp180 -66.4 -46.13 77.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.515 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.466 HH11 ' CG ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -55.67 -43.76 76.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.595 179.905 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.71 -42.93 98.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.642 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.8 mt -63.19 -42.56 99.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.583 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.97 -44.04 86.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.612 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -63.18 -42.86 99.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.499 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.2 tttt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.55 179.956 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.7 mp . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.896 0.379 . . . . 0.0 110.81 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 28.8 t -56.49 -40.01 65.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.348 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 67.9 t -66.53 -46.35 86.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.402 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.3 mt -59.71 -37.16 69.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.288 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.0 tp -60.0 -52.98 63.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.686 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 74.5 t -58.59 -44.82 90.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.425 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -60.76 -40.68 93.38 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.54 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.1 mt -58.68 -42.8 89.36 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.425 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.69 -44.93 94.98 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.59 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.4 t -56.82 -45.63 83.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.027 0.442 . . . . 0.0 110.239 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.04 -35.74 82.15 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.477 -179.728 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.77 -42.5 81.64 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.207 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.2 mt -61.75 -37.48 84.42 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.371 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.9 mt -65.38 -46.69 79.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.437 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.66 -38.85 91.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.448 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 70.3 t60 -63.55 -47.86 79.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.69 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.89 -45.87 74.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.561 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.97 -42.03 88.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.589 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.13 -43.73 98.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.547 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.18 -47.37 75.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.596 -179.706 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.7 mmtp -68.46 -41.97 79.42 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.411 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -65.2 -20.06 66.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.709 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.7 mttp . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.585 -179.939 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.768 0.318 . . . . 0.0 110.589 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 74.4 t -70.33 -36.79 68.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.531 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 69.5 t -65.17 -38.01 81.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.424 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 13.8 mt -65.52 -48.5 82.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.536 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.5 tp -57.92 -49.94 75.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.569 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.5 t -62.01 -44.06 98.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.47 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.62 -40.73 79.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.562 -179.662 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.3 mp -62.52 -48.23 80.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.628 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -55.75 -40.4 72.49 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.589 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 50.6 t -59.28 -50.71 78.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.54 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.1 mt -61.55 -30.16 70.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.563 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.6 -52.27 53.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.69 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.7 mt -64.71 -39.25 93.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.616 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.4 -45.31 72.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.567 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.4 t -68.68 -45.54 71.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.555 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 17.1 t-80 -54.54 -41.76 70.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.557 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.31 -44.12 79.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.614 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 -57.08 -40.52 77.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.669 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.36 -41.99 72.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.529 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.14 -38.77 84.12 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.652 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 26.6 tttm -69.86 -56.44 7.09 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.75 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -65.26 -7.32 12.57 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.662 -179.67 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 25.0 tttp . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.446 -179.746 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.455 -0.183 0 CA-C-O 120.843 0.354 . . . . 0.0 110.585 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 92.8 t -63.73 -43.7 98.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.432 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 51.2 t -56.42 -50.94 70.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.596 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 16.0 mt -55.9 -42.43 71.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.378 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.99 -49.06 74.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.667 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.403 ' O ' ' OG1' ' A' ' 32' ' ' THR . 43.8 t -66.01 -42.41 91.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.606 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.19 -43.78 98.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.647 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.1 tt -60.04 -45.01 94.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.53 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.403 ' OG1' ' O ' ' A' ' 29' ' ' VAL . 0.3 OUTLIER -57.44 -46.79 83.19 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.577 -179.776 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 67.2 t -54.73 -49.13 70.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.473 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.5 mt -56.4 -39.06 72.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.425 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.64 -52.63 56.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.619 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.0 tp -59.42 -37.33 77.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.467 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -64.28 -46.14 84.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.705 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.9 t -58.01 -39.99 79.67 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.481 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -66.02 -43.13 88.53 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.673 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.17 -42.0 85.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.604 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 48.4 ttp180 -55.12 -45.64 75.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.531 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.89 -51.07 61.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.508 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.9 mp -47.52 -41.47 21.14 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.626 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.2 mttm -68.13 -53.38 25.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.602 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.46 -15.39 60.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.604 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 29.6 mmtt . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.543 -179.915 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.2 mtt . . . . . 0 N--CA 1.489 1.501 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -159.73 19.95 0.17 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.536 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.453 ' N ' ' CD ' ' A' ' 4' ' ' PRO . 2.8 mt-10 52.59 54.08 13.06 Favored Pre-proline 0 C--N 1.327 -0.4 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.639 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.453 ' CD ' ' N ' ' A' ' 3' ' ' GLU . 33.6 Cg_endo -66.14 -15.93 50.22 Favored 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.776 2.317 . . . . 0.0 112.085 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 8.0 p -64.76 -22.93 32.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.619 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.97 -3.69 5.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.596 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 71.0 mt -94.99 -22.04 18.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.632 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.4 mp 55.65 101.25 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.631 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.421 ' OG1' ' OG ' ' A' ' 11' ' ' SER . 0.5 OUTLIER -147.05 161.2 37.74 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.617 -179.834 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.43 ' C ' ' H ' ' A' ' 12' ' ' ASP . 39.8 Cg_endo -69.84 -23.89 29.92 Favored 'Trans proline' 0 C--N 1.306 -1.667 0 C-N-CA 122.828 2.352 . . . . 0.0 112.113 179.648 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.421 ' OG ' ' OG1' ' A' ' 9' ' ' THR . 0.4 OUTLIER -59.23 -7.27 1.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.7 -179.861 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.509 ' O ' ' N ' ' A' ' 14' ' ' ASP . 26.8 m-20 -133.87 -45.27 0.8 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.453 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.04 85.33 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.641 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.509 ' N ' ' O ' ' A' ' 12' ' ' ASP . 0.6 OUTLIER -118.41 157.21 49.96 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.617 -179.753 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_endo -62.55 -32.54 79.79 Favored 'Trans proline' 0 C--N 1.304 -1.794 0 C-N-CA 122.805 2.337 . . . . 0.0 112.085 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -64.0 -50.35 68.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.821 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 10.0 mt -63.49 -35.85 74.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.504 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.6 mp -62.87 -50.6 70.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.548 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.7 m -61.68 -35.86 79.22 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.599 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.8 mt -61.42 -48.78 79.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.642 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.52 -42.03 95.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.514 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.1 tp -56.55 -49.37 75.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.675 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 97.3 mt -60.73 -41.02 86.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.503 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.1 tp -60.92 -45.97 92.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.467 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 24.3 t -59.98 -42.23 88.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.635 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 42.4 t -61.37 -41.63 90.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.608 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 22.4 mt -65.85 -41.66 90.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.483 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.9 mt -59.91 -37.0 78.19 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-O 121.052 0.453 . . . . 0.0 110.685 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 55.9 t -73.18 -36.45 50.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.631 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.1 mp -66.97 -42.94 84.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.652 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.9 -44.37 97.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.587 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.92 -49.2 77.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.617 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 97.7 t -55.99 -42.66 72.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.442 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.1 tp -65.74 -35.65 81.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.534 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.9 -46.81 80.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.557 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.2 mp -62.5 -36.73 83.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.563 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.21 -43.19 92.33 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.622 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.72 -45.68 92.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.709 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 66.2 m-70 -60.39 -49.02 79.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.525 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.2 mtt-85 -58.66 -42.82 89.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.512 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 44.4 mtt180 -61.21 -40.81 95.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.621 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.96 -47.17 86.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.559 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.6 tp -56.01 -39.35 71.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.594 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.3 tttm -70.65 -44.16 67.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.657 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -59.16 -38.48 79.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.51 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.0 mtpt -64.04 -51.85 62.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.58 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.3 tt -80.34 1.67 2.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.61 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 41.7 t-105 -150.0 70.86 9.41 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.496 -179.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo . . . . . 0 C--N 1.306 -1.686 0 C-N-CA 122.818 2.345 . . . . 0.0 112.147 -179.865 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.2 ttm . . . . . 0 N--CA 1.488 1.456 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -78.13 106.85 10.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.603 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.482 ' C ' ' H ' ' A' ' 5' ' ' VAL . 70.8 mt-10 -135.1 55.7 14.29 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.689 179.761 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.431 ' CD ' ' N ' ' A' ' 3' ' ' GLU . 42.0 Cg_endo -70.05 16.31 0.23 Allowed 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.776 2.317 . . . . 0.0 112.23 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.482 ' H ' ' C ' ' A' ' 3' ' ' GLU . 2.9 t -116.33 -14.27 10.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.634 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.6 m -97.64 66.8 1.99 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.575 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.99 161.31 6.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.6 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -81.14 169.93 16.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.499 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.08 165.19 13.2 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.553 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -43.77 -30.35 2.88 Favored 'Trans proline' 0 C--N 1.304 -1.786 0 C-N-CA 122.758 2.305 . . . . 0.0 112.061 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 57.9 m -43.48 -38.15 2.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.618 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -106.68 -44.51 4.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.628 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.4 mp -68.87 83.49 0.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.444 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -104.25 161.96 21.3 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.729 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -42.31 -33.74 2.67 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.66 2.24 . . . . 0.0 112.011 -179.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -54.25 -53.29 55.68 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.942 0.401 . . . . 0.0 110.801 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 45.9 mt -69.91 -33.71 56.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.624 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.74 -50.66 72.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.423 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.5 m -65.57 -46.37 79.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.574 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -49.97 -44.53 50.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.518 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.4 m -63.77 -44.01 94.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.523 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.98 -50.61 68.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.409 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 75.6 mt -58.9 -37.71 68.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.464 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.27 -45.39 91.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.541 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 92.5 t -65.29 -39.83 86.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.49 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 77.7 t -56.7 -48.85 80.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.462 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 33.3 mt -60.05 -44.98 96.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.551 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.82 -44.86 82.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.519 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 61.6 t -56.6 -47.13 82.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.471 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.5 mp -64.53 -34.52 78.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.59 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.01 -53.28 59.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.438 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.77 -47.03 88.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.486 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 92.4 t -54.3 -46.11 68.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.463 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.91 -39.19 90.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.483 179.788 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.33 -44.83 95.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.545 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.0 mt -63.57 -42.64 98.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.498 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.67 -40.52 83.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.469 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.26 -48.39 80.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.616 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -59.56 -39.47 84.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.548 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.37 -46.09 88.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.63 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -61.6 -41.71 97.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.569 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.82 -48.9 72.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.498 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.8 tp -57.44 -34.54 69.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.575 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 20.3 tttp -70.1 -49.17 53.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.438 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -56.44 -26.32 53.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.652 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.75 -51.0 13.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.602 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.4 tp -83.39 3.52 2.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.558 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 27.2 t-105 -157.9 65.38 3.25 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.593 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo . . . . . 0 C--N 1.306 -1.697 0 C-N-CA 122.828 2.352 . . . . 0.0 112.096 179.972 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.8 ttm . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 51.19 -177.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.59 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.405 ' N ' ' CD ' ' A' ' 4' ' ' PRO . 1.3 mt-10 53.76 56.73 13.36 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.412 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.405 ' CD ' ' N ' ' A' ' 3' ' ' GLU . 39.2 Cg_endo -68.61 -10.62 29.58 Favored 'Trans proline' 0 C--N 1.306 -1.662 0 C-N-CA 122.799 2.333 . . . . 0.0 112.093 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 68.9 t -95.21 -20.83 5.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.598 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.86 -32.46 11.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.438 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 mp -102.1 -169.6 1.7 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.576 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.5 tp 64.98 80.94 0.22 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.459 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.01 161.53 63.15 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.631 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.407 ' C ' ' H ' ' A' ' 12' ' ' ASP . 38.3 Cg_endo -68.53 -39.01 10.03 Favored 'Trans proline' 0 C--N 1.306 -1.696 0 C-N-CA 122.815 2.343 . . . . 0.0 112.098 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.06 1.36 3.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.702 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.407 ' H ' ' C ' ' A' ' 10' ' ' PRO . 0.2 OUTLIER -126.07 -34.61 2.53 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.577 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.2 tp -56.98 91.94 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.475 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -122.89 158.02 58.45 Favored Pre-proline 0 C--O 1.232 0.184 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.544 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -58.49 -16.99 32.06 Favored 'Trans proline' 0 C--N 1.308 -1.581 0 C-N-CA 122.902 2.401 . . . . 0.0 112.201 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.3 mt -65.21 -34.52 78.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.549 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 96.2 mt -66.69 -44.87 89.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.377 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.0 mp -59.81 -41.48 91.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.467 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.1 p -64.66 -47.19 79.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.529 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.54 -41.25 80.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.575 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.13 -42.39 96.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.541 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.2 mp -59.71 -44.04 93.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.574 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 66.7 mt -59.47 -45.32 93.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.562 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.1 tp -63.35 -45.52 90.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.622 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 42.5 t -56.44 -44.36 80.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.5 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 67.1 t -60.87 -47.13 94.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.608 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 90.5 mt -58.95 -47.27 90.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.469 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.1 mt -51.65 -45.48 63.37 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.495 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 56.7 t -60.85 -50.07 82.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.487 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.53 -40.28 86.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.624 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.6 tp -59.68 -47.8 84.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.556 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -59.56 -41.65 90.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.641 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 72.9 t -54.95 -53.93 28.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.433 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.4 mp -57.19 -35.21 69.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.352 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.428 ' O ' ' OG ' ' A' ' 38' ' ' SER . . . -65.81 -46.79 77.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.549 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.9 mp -60.52 -39.02 86.32 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.54 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.3 mp -66.31 -41.79 89.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.632 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.559 ' HG ' ' N ' ' A' ' 39' ' ' HIS . 88.2 p -61.59 -42.35 98.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.553 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.559 ' N ' ' HG ' ' A' ' 38' ' ' SER . 14.5 m170 -66.93 -36.95 83.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.518 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -65.45 -41.09 93.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.584 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.6 tpp180 -65.85 -36.47 83.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.602 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.44 -40.5 81.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.682 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.8 -36.64 84.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.638 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.0 tttp -67.56 -40.56 84.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.713 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -67.63 -37.83 83.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.563 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.2 tttm -66.22 -36.12 82.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.56 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 67.0 mt -83.01 -19.37 10.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.73 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 58.1 m95 -141.76 66.22 21.62 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.44 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo . . . . . 0 C--N 1.307 -1.608 0 C-N-CA 122.623 2.216 . . . . 0.0 112.143 -179.995 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 41.6 mtt . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.1 t -130.53 29.56 4.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.647 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -145.2 63.25 9.74 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.497 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -76.51 -46.63 0.16 Allowed 'Trans proline' 0 C--N 1.306 -1.663 0 C-N-CA 122.845 2.364 . . . . 0.0 112.274 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 42.5 t 40.23 82.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.452 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t 62.62 14.92 7.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.555 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.0 tp 61.49 35.17 17.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.508 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.454 ' O ' ' C ' ' A' ' 9' ' ' THR . 1.2 mt -88.27 123.03 32.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.543 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.454 ' C ' ' O ' ' A' ' 8' ' ' LEU . 4.3 p -30.88 95.65 0.08 OUTLIER Pre-proline 0 C--N 1.344 0.343 0 O-C-N 124.043 0.84 . . . . 0.0 110.466 -179.616 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.414 ' N ' ' O ' ' A' ' 8' ' ' LEU . 47.9 Cg_exo -53.03 -32.28 57.62 Favored 'Trans proline' 0 N--CA 1.494 1.544 0 C-N-CA 122.502 2.135 . . . . 0.0 112.31 -179.154 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 17.0 m -69.91 -20.98 63.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.61 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -93.16 -31.17 14.88 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.53 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -40.6 109.91 0.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.687 -179.626 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -121.68 158.68 53.53 Favored Pre-proline 0 N--CA 1.455 -0.177 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.702 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -64.5 -31.59 60.77 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.745 2.297 . . . . 0.0 112.161 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.84 -52.16 64.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.697 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 48.1 mt -66.67 -33.71 65.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.469 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.0 -45.5 93.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.505 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.4 p -63.13 -42.81 99.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.534 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.9 tp -57.93 -47.95 81.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.485 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 48.6 m -59.09 -36.65 75.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.342 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.6 tp -59.51 -52.94 63.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.386 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 59.9 mt -59.18 -40.23 80.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.48 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.7 tp -59.78 -43.21 94.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.571 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 58.4 t -63.29 -42.21 95.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.54 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 72.0 t -57.92 -43.4 84.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.409 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 14.5 mt -69.05 -42.59 82.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.632 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.4 mp -58.64 -39.03 79.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.529 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 23.6 t -68.53 -40.43 82.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.566 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.4 mp -67.73 -39.46 84.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.525 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.2 mt -59.98 -43.23 95.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.404 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -63.96 -44.13 93.68 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.523 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 56.0 t -53.54 -47.88 59.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.396 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.5 mt -66.12 -38.4 88.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.356 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.27 -40.79 97.41 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.486 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.4 tp -66.82 -44.57 80.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.643 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.76 -41.66 82.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.587 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 75.0 m -62.81 -44.7 95.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.497 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -58.4 -43.56 88.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.561 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.3 tpp85 -63.62 -44.41 94.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.601 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 57.4 mtp180 -60.03 -43.79 95.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.549 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.65 -43.64 89.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.486 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.85 -45.92 90.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.514 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.9 tttm -57.94 -39.4 77.95 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.607 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -65.6 -41.05 93.23 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.638 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.4 tttm -65.71 -32.28 73.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.648 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.7 mm -73.33 -37.59 51.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.665 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 68.4 t90 -147.8 75.26 11.05 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.354 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo . . . . . 0 C--N 1.309 -1.51 0 C-N-CA 122.797 2.331 . . . . 0.0 112.266 -179.771 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.5 tpp . . . . . 0 N--CA 1.491 1.623 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m -163.74 -53.8 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.582 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.427 ' N ' ' CD ' ' A' ' 4' ' ' PRO . 27.9 mt-10 -143.54 54.6 3.15 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.457 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.427 ' CD ' ' N ' ' A' ' 3' ' ' GLU . 38.7 Cg_endo -68.45 -52.75 0.42 Allowed 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 122.722 2.281 . . . . 0.0 112.138 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.0 m -61.53 -16.83 15.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.719 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.56 -34.62 13.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.641 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -79.58 -25.72 41.49 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.672 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -103.76 104.32 14.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.466 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.443 ' O ' ' OG1' ' A' ' 9' ' ' THR . 10.6 p -144.32 75.73 15.07 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.519 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_exo -61.64 -43.17 28.12 Favored 'Trans proline' 0 C--N 1.304 -1.779 0 C-N-CA 122.888 2.392 . . . . 0.0 112.032 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.405 ' O ' ' OD2' ' A' ' 14' ' ' ASP . 0.0 OUTLIER -54.52 -44.38 72.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.568 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.67 -41.0 63.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.538 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.1 tp -65.86 75.75 0.08 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.478 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.405 ' OD2' ' O ' ' A' ' 11' ' ' SER . 1.1 m-20 -124.01 96.45 42.41 Favored Pre-proline 0 CA--C 1.533 0.307 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.151 179.534 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -53.51 -21.24 18.07 Favored 'Trans proline' 0 N--CA 1.495 1.611 0 C-N-CA 122.495 2.13 . . . . 0.0 112.171 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.5 tp -76.1 -54.53 6.69 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.609 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 36.1 mt -65.02 -33.06 61.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.273 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.3 tp -62.82 -50.31 71.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.503 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.471 ' H ' ' HG1' ' A' ' 19' ' ' THR . 0.9 OUTLIER -61.22 -42.9 99.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.725 179.905 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.1 tp -57.88 -42.04 83.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.556 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.17 -44.1 80.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.626 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.77 -45.84 78.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.544 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.7 mm -58.65 -48.25 86.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.462 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.0 tp -58.57 -43.04 89.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.522 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 41.9 t -56.9 -47.33 83.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.47 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 92.9 t -55.54 -46.79 79.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.455 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.4 mt -62.65 -41.91 94.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.444 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.19 -43.97 98.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.667 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 70.7 t -61.52 -44.19 98.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.494 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.5 tp -63.12 -43.51 98.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.502 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.57 -47.05 83.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.324 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -56.61 -45.02 81.71 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.526 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 41.8 t -56.05 -52.07 54.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.539 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.76 -32.44 71.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.441 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.88 -52.15 61.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.601 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.4 mp -59.57 -39.56 84.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.479 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.9 mp -58.44 -47.82 82.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.609 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.23 -40.2 95.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.454 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -59.23 -44.81 92.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.618 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.6 mtp85 -64.6 -43.09 94.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.566 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.2 ttt-85 -58.92 -42.8 90.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.668 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.73 -46.46 85.26 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.576 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.04 -38.35 82.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.573 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 26.2 mmtt -63.73 -46.81 83.7 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.542 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -61.82 -36.41 81.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.748 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -68.11 -38.53 82.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.645 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 52.8 mt -79.93 -37.5 17.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.623 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.431 ' O ' ' OXT' ' A' ' 49' ' ' PRO . 0.3 OUTLIER -135.13 75.17 60.72 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.539 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.431 ' OXT' ' O ' ' A' ' 48' ' ' TRP . 37.9 Cg_exo . . . . . 0 C--N 1.307 -1.639 0 C-N-CA 122.735 2.29 . . . . 0.0 112.166 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 tpt . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 p -87.46 -17.04 33.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.615 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -136.13 70.78 62.48 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.576 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -49.18 -23.46 6.67 Favored 'Trans proline' 0 C--N 1.306 -1.71 0 C-N-CA 122.822 2.348 . . . . 0.0 112.144 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -81.26 149.71 4.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.502 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.5 t -104.45 30.7 5.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.55 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.2 mp -83.88 92.36 7.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.53 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.7 mt -102.7 -49.62 3.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.63 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -133.94 75.84 66.05 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.501 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -51.6 -21.69 11.4 Favored 'Trans proline' 0 C--N 1.306 -1.665 0 C-N-CA 122.834 2.356 . . . . 0.0 112.12 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -46.15 -28.37 1.22 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.639 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.536 ' O ' ' N ' ' A' ' 14' ' ' ASP . 5.1 m-20 -139.58 -37.04 0.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.741 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.6 tp -54.66 82.26 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.558 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.536 ' N ' ' O ' ' A' ' 12' ' ' ASP . 0.1 OUTLIER -112.2 159.18 34.75 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.577 -179.88 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -67.8 -28.84 36.15 Favored 'Trans proline' 0 C--N 1.308 -1.583 0 C-N-CA 122.696 2.264 . . . . 0.0 112.093 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.9 mt -62.96 -46.13 89.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.55 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 10.6 mt -71.71 -34.95 53.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.54 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.4 tp -62.05 -45.1 95.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.58 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.6 m -64.27 -43.7 94.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.48 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.1 mp -56.43 -45.39 80.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.561 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.3 m -62.39 -44.22 96.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.539 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.7 mp -55.8 -44.72 78.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.487 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.8 mm -64.9 -47.07 89.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.629 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.7 mp -55.36 -40.76 71.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.418 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 98.2 t -66.03 -44.08 92.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.444 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 67.1 t -56.08 -41.79 70.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.704 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 14.4 mt -68.16 -41.98 84.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.617 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.3 mp -62.5 -37.26 85.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.632 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 24.6 t -63.9 -45.03 98.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.602 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.53 -37.99 88.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.454 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.2 mt -56.13 -48.84 75.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.482 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.74 -43.13 99.46 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.502 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 43.4 t -58.91 -43.91 89.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.421 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.6 mt -67.8 -32.57 73.23 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.457 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.04 -38.3 75.8 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.587 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.1 mt -65.59 -38.51 89.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.462 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.75 -39.13 80.47 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.564 -179.802 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.26 -45.6 92.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.389 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.85 -43.29 96.57 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.509 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 30.3 mmm-85 -57.63 -44.24 85.41 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.514 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.9 tpp180 -63.46 -48.21 78.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.704 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -53.23 -47.77 68.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.547 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.8 mt -58.23 -43.22 87.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.597 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.0 tttt -62.29 -42.32 99.26 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.469 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 53.3 mm-40 -62.98 -38.43 91.11 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.532 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.42 -32.29 73.07 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.64 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 30.3 mt -77.53 -37.5 24.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.518 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 31.4 t90 -142.88 74.87 18.17 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.488 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo . . . . . 0 C--N 1.305 -1.742 0 C-N-CA 122.921 2.414 . . . . 0.0 112.033 179.963 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.3 t -66.76 -126.28 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.696 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.7 pm0 -139.92 59.56 13.53 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.73 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -74.07 -30.95 8.36 Favored 'Trans proline' 0 C--N 1.305 -1.711 0 C-N-CA 122.746 2.297 . . . . 0.0 112.071 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.0 t -64.94 -26.83 41.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.533 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -92.39 -50.07 5.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.646 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.5 mp -59.13 146.54 38.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.589 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.6 mt -88.9 128.69 35.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.645 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.2 m -141.73 75.6 21.4 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.458 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -56.42 -20.26 32.23 Favored 'Trans proline' 0 C--N 1.303 -1.828 0 C-N-CA 122.812 2.341 . . . . 0.0 112.114 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.46 -19.23 61.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.515 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -104.13 -32.83 8.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.595 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 tp -74.16 86.81 1.9 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.688 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.9 158.99 32.53 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.539 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -66.31 -25.79 49.24 Favored 'Trans proline' 0 C--N 1.306 -1.672 0 C-N-CA 122.914 2.409 . . . . 0.0 112.115 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.6 mt -70.45 -52.17 24.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.649 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 66.7 mt -67.1 -29.12 45.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.549 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.4 tp -66.25 -51.67 55.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.496 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.0 m -55.93 -44.3 78.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.432 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.5 mt -61.24 -48.03 83.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.693 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.93 -41.94 83.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.615 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.7 mt -60.89 -42.38 97.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.582 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 67.8 mt -62.98 -46.24 96.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.407 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.4 tp -61.65 -38.41 87.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.607 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 20.2 t -60.5 -43.58 94.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.669 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 82.9 t -64.38 -43.37 97.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.616 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 40.5 mt -62.75 -41.53 92.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.53 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.51 -48.32 82.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.586 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 57.3 t -61.82 -42.2 93.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.558 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.9 tp -60.26 -45.79 92.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.628 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.6 mp -59.87 -39.23 84.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.642 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.456 ' H ' ' HG1' ' A' ' 32' ' ' THR . 0.0 OUTLIER -66.46 -42.36 87.66 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.658 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 73.5 t -57.1 -47.22 84.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.458 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.8 mt -65.69 -32.59 74.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.527 179.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.37 -42.08 84.02 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.51 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.12 -40.82 98.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.517 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -62.38 -41.61 98.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.539 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.59 -42.85 99.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.587 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.98 -48.84 79.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.617 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 13.7 mmt85 -59.34 -46.36 88.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.564 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -55.07 -42.49 72.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.579 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.53 -44.18 91.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.46 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.9 mp -55.27 -38.15 68.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.573 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' A' ' 48' ' ' TRP . 8.2 tptt -67.92 -50.59 55.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.671 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -59.86 -30.01 68.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.593 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 32.7 mttt -68.95 -47.18 66.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.558 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.2 tp -93.02 2.13 8.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.486 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.456 ' N ' ' O ' ' A' ' 44' ' ' LYS . 3.5 t90 -154.26 63.53 4.22 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.031 0.443 . . . . 0.0 110.562 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo . . . . . 0 C--N 1.305 -1.722 0 C-N-CA 122.824 2.35 . . . . 0.0 112.014 -179.851 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.0 ptp . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -104.78 127.42 52.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.5 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.47 ' N ' ' CD ' ' A' ' 4' ' ' PRO . 2.6 pt-20 -151.8 52.92 1.01 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.521 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.47 ' CD ' ' N ' ' A' ' 3' ' ' GLU . 37.5 Cg_endo -66.97 -62.81 0.06 OUTLIER 'Trans proline' 0 C--N 1.307 -1.642 0 C-N-CA 122.782 2.322 . . . . 0.0 112.144 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 26.2 m -42.25 -37.76 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.56 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.538 ' O ' ' N ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -73.47 -67.26 0.6 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.613 -179.84 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 6' ' ' SER . 2.0 mt -36.92 -29.3 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.639 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.506 ' N ' ' O ' ' A' ' 6' ' ' SER . 0.8 OUTLIER -81.46 -44.49 17.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.622 179.741 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.538 ' N ' ' O ' ' A' ' 6' ' ' SER . 96.1 m -29.09 92.19 0.05 OUTLIER Pre-proline 0 C--O 1.236 0.383 0 O-C-N 124.032 0.833 . . . . 0.0 110.313 -179.787 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.492 ' N ' ' O ' ' A' ' 8' ' ' LEU . 46.6 Cg_exo -52.87 -23.98 22.68 Favored 'Trans proline' 0 N--CA 1.495 1.596 0 C-N-CA 122.811 2.34 . . . . 0.0 112.122 -178.776 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.97 -25.43 61.86 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.683 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 14' ' ' ASP . 27.4 m-20 -89.53 -44.78 9.87 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.515 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.1 tp -60.77 81.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.55 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 12' ' ' ASP . 0.1 OUTLIER -95.37 157.09 36.86 Favored Pre-proline 0 N--CA 1.451 -0.404 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.538 -179.599 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_endo -65.53 -31.7 50.33 Favored 'Trans proline' 0 C--N 1.308 -1.581 0 C-N-CA 122.828 2.352 . . . . 0.0 112.145 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.0 mp -66.05 -44.63 84.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.627 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 8.7 mm -66.79 -41.55 88.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.598 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.7 tp -55.95 -47.29 77.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.514 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.4 m -63.48 -48.5 77.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.568 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.4 mp -52.05 -44.83 64.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.579 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 67.0 m -65.22 -45.68 83.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.586 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.0 -41.52 68.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.656 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 53.4 mt -63.54 -46.26 95.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.449 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.15 -36.78 71.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.532 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 89.2 t -72.84 -37.56 55.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.615 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 90.2 t -57.75 -51.14 73.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.591 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.6 mp -61.85 -50.89 78.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.506 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.5 mp -51.33 -47.4 62.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.517 -179.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 71.6 t -62.64 -45.06 99.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.525 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.5 mt -61.58 -42.56 99.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.591 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.42 -39.25 86.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.396 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.32 -41.16 90.07 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.424 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 40.3 t -55.42 -44.2 74.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.353 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.6 mt -66.72 -37.23 84.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.376 179.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.02 -44.65 87.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.493 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.6 mp -66.0 -42.28 89.96 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.569 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.1 mt -58.73 -44.32 90.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.554 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.5 m -61.43 -46.39 90.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.578 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 16.6 t-80 -59.52 -39.97 85.61 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.553 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 19.0 mtp85 -67.4 -42.98 82.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.583 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.75 -42.51 97.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.647 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.4 -53.33 44.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.563 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.2 tp -47.42 -40.84 18.87 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.58 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 18.7 tttt -70.05 -47.11 63.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.476 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -68.11 -11.83 59.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.578 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 75.5 tttt -86.02 -45.05 11.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.52 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.9 tt -87.15 -28.19 5.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.654 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 29.1 t-105 -134.31 69.96 73.3 Favored Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.415 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo . . . . . 0 C--N 1.305 -1.752 0 C-N-CA 122.646 2.231 . . . . 0.0 112.14 -179.79 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 tmm? . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 m -135.06 -70.06 0.5 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.591 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.59 ' CD ' ' H ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER -97.48 156.33 36.28 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.595 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -64.21 -60.43 0.15 Allowed 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.872 2.381 . . . . 0.0 112.112 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.439 ' O ' ' OG ' ' A' ' 6' ' ' SER . 2.5 p -166.0 -19.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.578 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.439 ' OG ' ' O ' ' A' ' 5' ' ' VAL . 4.6 m -177.48 90.66 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.524 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -146.44 115.15 6.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.574 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.0 mt -64.9 178.77 0.76 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.592 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.94 154.0 67.31 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.578 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -66.57 -32.16 39.66 Favored 'Trans proline' 0 C--N 1.306 -1.687 0 C-N-CA 122.851 2.367 . . . . 0.0 112.103 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.2 m -78.45 -16.6 57.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.533 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -91.39 -36.55 13.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.603 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.6 tp -83.08 74.76 9.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.547 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.466 ' OD1' ' N ' ' A' ' 14' ' ' ASP . 0.0 OUTLIER -95.27 164.72 18.46 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.579 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_exo -43.12 -42.7 9.77 Favored 'Trans proline' 0 C--N 1.306 -1.684 0 C-N-CA 122.813 2.342 . . . . 0.0 112.148 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.7 tp -59.95 -51.11 71.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.554 -179.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.496 ' N ' ' CD1' ' A' ' 17' ' ' ILE . 1.5 mp -58.41 -34.08 49.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.576 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.79 -40.51 79.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.559 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 55.4 m -64.12 -37.51 87.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.539 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.4 mt -64.99 -46.65 80.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.599 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.12 -43.42 74.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.544 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.0 mt -63.77 -46.15 86.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.593 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 88.3 mt -59.65 -42.85 89.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.553 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.7 tp -66.6 -38.76 87.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.581 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 3.4 t -60.59 -45.8 96.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.658 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 39.1 t -60.61 -39.68 82.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.576 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 20.3 mt -65.46 -41.95 92.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.543 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.77 -46.86 86.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.544 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 35.5 t -59.55 -43.43 90.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.615 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.63 -47.3 84.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.537 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.3 tp -55.29 -41.2 71.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.597 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.93 -47.8 81.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.495 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 90.0 t -56.36 -43.42 77.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.552 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 tp -64.78 -38.41 90.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.588 179.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.87 -45.46 93.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.658 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.5 mp -62.95 -45.73 91.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.538 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.7 mt -59.57 -41.31 89.93 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.599 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.1 p -59.79 -46.93 87.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.545 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 5.7 m80 -54.92 -47.74 74.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.652 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 21.2 ttp180 -63.8 -43.9 94.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.527 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 21.2 mtp85 -60.85 -40.34 92.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.525 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.51 -41.57 98.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.577 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 tt -60.84 -48.2 82.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.62 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.477 ' O ' ' N ' ' A' ' 48' ' ' TRP . 0.8 OUTLIER -57.32 -51.97 67.22 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.63 179.804 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -50.67 -43.92 57.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.538 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.16 -53.03 62.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.612 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 7.9 mm -86.35 5.68 3.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.619 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.477 ' N ' ' O ' ' A' ' 44' ' ' LYS . 53.0 t-105 -150.82 61.53 4.66 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.534 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo . . . . . 0 C--N 1.305 -1.754 0 C-N-CA 122.805 2.337 . . . . 0.0 112.131 179.904 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.0 ptt? . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.2 p -74.72 136.24 41.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.43 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.581 ' N ' ' CD ' ' A' ' 4' ' ' PRO . 0.1 OUTLIER -87.92 -45.48 0.48 Allowed Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.079 179.382 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.581 ' CD ' ' N ' ' A' ' 3' ' ' GLU . 52.7 Cg_endo -81.74 148.49 15.8 Favored 'Trans proline' 0 C--N 1.307 -1.645 0 C-N-CA 122.804 2.336 . . . . 0.0 112.355 -179.334 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.0 t 63.91 16.39 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.405 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -143.1 -35.34 0.4 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.531 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -51.65 108.95 0.31 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.68 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.4 mt -64.84 174.82 1.7 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.473 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.7 p -133.92 75.43 67.0 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.614 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.433 ' C ' ' H ' ' A' ' 12' ' ' ASP . 39.1 Cg_exo -55.07 -25.87 47.38 Favored 'Trans proline' 0 C--N 1.305 -1.752 0 C-N-CA 122.845 2.363 . . . . 0.0 112.088 179.356 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 78.5 p -56.75 -9.32 0.75 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.558 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.433 ' H ' ' C ' ' A' ' 10' ' ' PRO . 31.3 m-20 -145.13 -44.52 0.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.549 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.2 mp -64.27 85.02 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.692 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.22 157.9 33.21 Favored Pre-proline 0 C--O 1.236 0.351 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.507 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -64.59 -30.46 60.77 Favored 'Trans proline' 0 C--N 1.304 -1.776 0 C-N-CA 122.826 2.35 . . . . 0.0 112.083 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -71.54 -45.33 62.64 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.607 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.46 ' N ' ' CD1' ' A' ' 17' ' ' ILE . 1.6 mp -59.94 -40.05 81.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.398 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.6 -44.92 95.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.539 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 23.4 p -68.29 -38.76 81.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.481 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.4 mp -59.59 -41.2 89.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.529 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.9 m -68.89 -45.91 69.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.613 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -54.2 -39.96 67.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.556 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 28.1 mt -70.98 -43.88 76.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.473 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.86 -41.87 88.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.506 -179.76 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 63.2 t -62.59 -52.27 61.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.421 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 41.5 t -51.18 -48.17 31.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.475 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 81.6 mt -60.46 -43.95 95.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.538 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.432 ' O ' ' OG1' ' A' ' 32' ' ' THR . 1.0 OUTLIER -56.57 -40.99 76.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.44 179.746 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 48.7 t -62.13 -48.04 90.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.63 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.2 mp -57.36 -44.82 84.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.628 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.4 mp -59.96 -42.43 94.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.562 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.432 ' OG1' ' O ' ' A' ' 28' ' ' LEU . 0.1 OUTLIER -60.65 -49.49 77.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.566 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 86.5 t -56.68 -46.2 82.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.519 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.0 tp -62.07 -29.93 70.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.583 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.65 -54.43 10.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.584 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.2 mt -57.37 -37.74 73.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.588 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.79 -47.16 86.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.638 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.7 t -62.89 -45.57 91.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.615 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.415 ' CD2' ' C ' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -59.27 -43.59 92.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.517 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 16.6 mmt180 -61.28 -40.62 94.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.64 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.4 ttt-85 -65.27 -42.31 93.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.534 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.14 -49.56 77.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.446 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -58.81 -40.84 85.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.803 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 53.0 tttm -58.08 -50.21 74.26 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.611 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -65.05 -31.36 72.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.63 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -65.49 -40.73 93.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.651 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 88.2 mt -76.13 -40.57 37.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.517 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -69.57 157.98 88.13 Favored Pre-proline 0 N--CA 1.453 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.583 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo . . . . . 0 C--N 1.306 -1.705 0 C-N-CA 122.815 2.343 . . . . 0.0 112.085 179.443 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.1 mmt . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -175.85 91.32 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.625 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.444 ' N ' ' CD ' ' A' ' 4' ' ' PRO . 59.2 mt-10 -145.95 54.44 2.26 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.531 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.444 ' CD ' ' N ' ' A' ' 3' ' ' GLU . 35.4 Cg_endo -66.75 109.04 1.56 Allowed 'Trans proline' 0 C--N 1.304 -1.785 0 C-N-CA 122.945 2.43 . . . . 0.0 112.093 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 34.6 m -79.61 12.62 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.638 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 t -65.22 -8.84 19.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.593 -179.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.435 ' O ' ' O ' ' A' ' 8' ' ' LEU . 1.7 tp -67.43 -24.65 65.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.544 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.435 ' O ' ' O ' ' A' ' 7' ' ' LEU . 5.0 mp 51.22 175.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.625 179.181 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -144.35 77.02 14.36 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.54 179.479 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -52.82 -40.93 73.36 Favored 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 122.837 2.358 . . . . 0.0 112.125 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -46.42 -38.19 8.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.585 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -95.24 -39.98 9.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.561 -179.601 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -74.08 83.61 1.79 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.568 179.319 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.22 153.57 18.54 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.59 179.253 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_endo -62.18 -19.65 67.33 Favored 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.873 2.382 . . . . 0.0 112.112 -179.204 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.6 tp -64.47 -32.62 74.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.588 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.405 HG21 HD13 ' A' ' 17' ' ' ILE . 13.0 mm -64.48 -48.67 84.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.567 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.8 mp -59.05 -41.33 87.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.613 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.4 m -68.93 -37.01 78.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.551 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.9 tp -58.98 -48.27 82.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.561 179.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.78 -46.02 87.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.639 -179.733 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -55.68 -42.08 74.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.588 -179.633 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 57.8 mt -69.1 -41.06 81.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.608 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.5 mt -58.81 -46.38 87.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.543 179.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 95.4 t -60.11 -44.5 95.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.564 -179.263 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 16.2 t -62.14 -43.84 98.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.58 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.5 mm -56.28 -41.75 71.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.578 179.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.45 -49.18 70.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.504 179.795 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 96.8 t -59.44 -40.06 80.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.513 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.2 tp -62.32 -45.69 92.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.544 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.0 tp -57.08 -41.93 79.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.542 -179.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.33 -43.47 97.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.613 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 82.7 t -56.28 -46.19 81.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.523 179.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.0 mp -64.96 -38.99 92.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.562 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.32 -48.71 80.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.581 -179.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.8 mp -63.06 -45.14 93.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.599 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.7 tp -59.4 -43.13 93.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.66 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.683 ' HG ' ' N ' ' A' ' 39' ' ' HIS . 0.2 OUTLIER -59.6 -48.68 80.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.557 179.502 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.683 ' N ' ' HG ' ' A' ' 38' ' ' SER . 56.7 t60 -59.88 -42.37 93.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.522 -179.784 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.5 tpt180 -61.19 -43.96 98.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.696 -179.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.7 mmm-85 -64.75 -40.34 95.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.585 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.09 -42.02 94.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.492 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.55 -34.71 78.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.607 -179.088 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' A' ' 48' ' ' TRP . 24.2 tttp -66.55 -49.77 65.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.565 179.738 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -54.75 -43.15 72.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.515 179.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.0 mmtm -58.7 -47.68 83.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.598 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.9 tt -90.11 5.25 5.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.544 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.464 ' N ' ' O ' ' A' ' 44' ' ' LYS . 7.4 t90 -152.14 73.64 7.68 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.559 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo . . . . . 0 C--N 1.304 -1.804 0 C-N-CA 122.916 2.411 . . . . 0.0 112.069 -179.508 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.615 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.3 t 47.14 29.96 1.27 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.426 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -137.74 70.29 51.4 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.436 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -51.58 129.49 29.83 Favored 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 122.859 2.372 . . . . 0.0 112.158 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 6.4 m -72.89 3.78 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.66 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.6 p -122.22 10.91 10.04 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.532 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -157.02 108.28 2.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.636 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -91.81 179.43 5.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.375 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -126.9 161.78 51.46 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.648 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_exo -41.54 -36.28 2.93 Favored 'Trans proline' 0 C--N 1.308 -1.572 0 C-N-CA 122.825 2.35 . . . . 0.0 112.264 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.5 t -45.36 -41.38 8.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.639 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -98.59 -40.66 8.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.678 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.5 tp -75.57 76.0 2.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.537 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.38 154.72 37.47 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.552 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -64.59 -29.26 60.99 Favored 'Trans proline' 0 C--N 1.308 -1.587 0 C-N-CA 122.791 2.327 . . . . 0.0 112.101 179.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 26.8 mt -65.81 -52.71 48.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.594 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.2 mm -61.54 -35.52 67.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.323 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -59.4 -45.84 90.37 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.66 -179.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 22.6 p -66.65 -41.72 87.8 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.466 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.1 -39.34 85.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.579 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.7 m -62.64 -46.63 87.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.524 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.6 mp -57.59 -43.2 84.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.553 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.4 mm -65.05 -51.6 64.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.576 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -54.62 -39.15 67.65 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.469 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 75.6 t -60.95 -44.7 98.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.637 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 86.4 t -55.98 -43.04 73.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.554 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.6 mp -70.43 -44.69 77.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.452 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.3 tt -54.69 -41.65 70.49 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.606 -179.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 94.8 t -65.95 -51.24 63.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.579 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.49 -32.73 67.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.478 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.13 -45.98 82.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.632 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.499 ' H ' ' HG1' ' A' ' 32' ' ' THR . 0.1 OUTLIER -65.07 -38.49 90.98 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.632 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 59.4 t -59.54 -46.18 93.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.305 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.1 mp -64.36 -31.44 72.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.428 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.78 -44.61 63.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.69 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.94 -41.83 88.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.549 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.4 mp -62.21 -45.65 92.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.585 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 74.4 m -59.59 -45.32 92.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.441 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -59.23 -37.8 78.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.536 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.37 -53.64 49.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.529 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 64.8 mtp180 -56.23 -41.33 75.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.455 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.86 -47.73 82.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.676 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.83 -43.65 81.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.701 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 16.6 mttp -63.94 -44.2 93.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.558 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -60.46 -36.71 78.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.618 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 28.7 mttt -69.79 -39.99 76.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.634 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 67.2 mt -69.86 -39.37 77.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.654 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 22.4 t90 -133.31 71.91 75.97 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.66 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo . . . . . 0 C--N 1.306 -1.7 0 C-N-CA 122.931 2.42 . . . . 0.0 112.208 -179.956 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.468 ' H2 ' ' H ' ' A' ' 2' ' ' SER . 10.0 ptm . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.468 ' H ' ' H2 ' ' A' ' 1' ' ' MET . 11.6 t -165.95 -0.6 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.554 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -136.73 66.69 56.95 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.054 0.454 . . . . 0.0 110.592 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -76.21 -41.37 0.49 Allowed 'Trans proline' 0 C--N 1.308 -1.585 0 C-N-CA 122.774 2.316 . . . . 0.0 112.103 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 34.7 m -55.97 -14.81 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.562 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.43 ' OG ' ' N ' ' A' ' 7' ' ' LEU . 19.3 p -101.11 -56.28 2.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.486 -179.764 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.43 ' N ' ' OG ' ' A' ' 6' ' ' SER . 1.1 tp -39.68 132.96 1.58 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.611 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.0 mt -86.33 126.77 34.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.722 -179.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.426 ' O ' ' N ' ' A' ' 11' ' ' SER . 0.2 OUTLIER -75.63 164.26 61.9 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.662 -179.902 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . 0.433 ' C ' ' N ' ' A' ' 12' ' ' ASP . 66.3 Cg_exo -41.53 -22.93 0.18 Allowed 'Trans proline' 0 C--N 1.309 -1.527 0 C-N-CA 122.752 2.301 . . . . 0.0 112.296 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 9' ' ' THR . 0.9 OUTLIER -50.11 -14.65 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.604 179.857 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.433 ' N ' ' C ' ' A' ' 10' ' ' PRO . 0.5 OUTLIER -148.13 -41.28 0.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.54 179.859 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.5 tp -61.75 95.85 0.06 Allowed 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.043 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -117.11 97.24 50.52 Favored Pre-proline 0 CA--C 1.532 0.26 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.295 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -53.36 -18.02 10.07 Favored 'Trans proline' 0 N--CA 1.492 1.402 0 C-N-CA 122.857 2.371 . . . . 0.0 111.926 179.474 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.6 mp -75.08 -57.96 3.58 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.499 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 75.7 mt -58.79 -31.85 45.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.381 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -66.39 -50.02 64.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.709 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 31.8 p -59.09 -39.41 82.12 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.509 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.08 -48.5 79.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.615 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.8 m -62.98 -36.59 84.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.321 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.16 -48.85 79.71 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.617 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 31.2 mt -61.34 -37.4 77.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.541 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.6 mt -66.25 -40.82 90.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.564 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 99.1 t -67.3 -37.05 78.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.426 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 24.4 t -65.55 -41.18 90.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.543 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 86.8 mt -62.74 -44.62 99.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.633 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.1 tt -57.14 -49.11 76.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.497 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 42.7 t -57.12 -42.53 79.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.346 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -59.47 -43.94 93.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.639 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.6 tp -62.65 -44.81 95.32 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.231 179.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.457 ' H ' ' HG1' ' A' ' 32' ' ' THR . 0.0 OUTLIER -58.41 -46.54 86.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.609 179.827 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 53.7 t -55.66 -42.89 71.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.467 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.1 mp -64.26 -39.41 93.89 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.459 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.14 -41.0 95.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.564 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.5 mp -64.41 -41.1 96.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.526 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.7 -35.46 80.64 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.565 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.6 p -68.24 -47.48 67.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.669 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 4.1 m80 -58.25 -44.59 88.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.401 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.503 HH11 ' CG ' ' A' ' 40' ' ' ARG . 0.1 OUTLIER -58.25 -44.92 88.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.535 179.888 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.07 -49.46 77.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.577 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.82 -45.39 86.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.523 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.09 -45.25 89.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.612 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.2 tptt -55.92 -38.88 70.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.531 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -70.77 -48.49 54.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.581 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.7 tttm -58.8 -31.68 68.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.526 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 31.1 mt -70.43 -53.57 22.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.555 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 37.1 t-105 -134.74 72.84 68.36 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.467 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo . . . . . 0 C--N 1.305 -1.738 0 C-N-CA 122.734 2.29 . . . . 0.0 112.075 -179.943 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 ttt . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.02 16.18 2.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.554 179.786 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -145.64 65.72 11.48 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.624 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -46.47 109.92 0.24 Allowed 'Trans proline' 0 C--N 1.304 -1.797 0 C-N-CA 122.809 2.339 . . . . 0.0 112.192 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -86.4 22.07 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.605 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.435 ' O ' ' O ' ' A' ' 7' ' ' LEU . 25.6 p 55.38 26.16 8.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.544 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.435 ' O ' ' O ' ' A' ' 6' ' ' SER . 1.0 OUTLIER 57.27 156.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.568 -179.846 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.465 ' N ' ' CD1' ' A' ' 8' ' ' LEU . 9.8 mp -87.75 152.45 22.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.493 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.5 m -148.01 76.9 10.3 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.581 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -52.93 -17.85 8.36 Favored 'Trans proline' 0 C--N 1.304 -1.801 0 C-N-CA 122.836 2.357 . . . . 0.0 112.108 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.53 -16.96 11.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.541 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.475 ' O ' ' N ' ' A' ' 14' ' ' ASP . 60.2 m-20 -147.07 -38.54 0.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.605 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -46.02 92.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.576 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.475 ' N ' ' O ' ' A' ' 12' ' ' ASP . 0.2 OUTLIER -105.49 161.23 23.42 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.534 -179.756 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -43.28 -38.11 7.72 Favored 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 122.887 2.391 . . . . 0.0 112.096 179.458 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.17 -59.27 5.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.614 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 33.8 mt -58.97 -32.28 47.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.517 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.4 tp -62.97 -52.4 63.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.566 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 29.9 m -64.62 -37.73 88.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.565 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.57 -48.26 75.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.563 179.521 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.5 m -62.34 -42.41 99.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.619 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 4.5 tp -58.21 -44.51 88.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.512 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 97.3 mt -67.86 -38.45 80.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.598 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.3 tp -60.39 -42.12 95.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.579 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 44.6 t -64.91 -49.11 81.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.591 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 61.2 t -53.49 -45.46 58.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.53 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.407 HD12 HG21 ' A' ' 27' ' ' ILE . 77.6 mt -60.32 -49.38 84.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.563 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -51.27 -45.31 62.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.578 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 58.5 t -61.95 -49.6 83.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.596 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -60.82 -34.73 74.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.552 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.95 -51.13 69.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.594 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -61.61 -37.57 84.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.514 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 70.1 t -59.9 -43.71 92.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.574 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.33 -34.3 75.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.522 179.579 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.17 -49.12 63.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.553 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.4 mt -54.19 -46.61 72.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.565 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 mt -59.39 -48.85 80.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.564 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.4 m -60.39 -42.95 96.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.583 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -62.45 -42.82 99.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.527 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.3 ttm180 -61.41 -39.79 92.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.571 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 -61.89 -51.2 69.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.555 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.26 -38.64 74.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.507 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.33 -40.79 81.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.568 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.8 mtpm? -63.17 -45.32 92.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.555 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 49' ' ' PRO . 25.1 mt-30 -57.16 -48.04 79.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.626 179.786 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.1 tptt -59.48 -43.63 93.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.548 -179.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 36.8 mt -65.28 -46.47 90.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.536 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 31.6 t-105 -138.34 74.05 42.09 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.581 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.439 ' N ' ' O ' ' A' ' 45' ' ' GLN . 50.9 Cg_exo . . . . . 0 C--N 1.305 -1.729 0 C-N-CA 122.843 2.362 . . . . 0.0 112.206 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.1 mmt . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 t -154.48 4.23 0.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.557 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.435 ' C ' ' H ' ' A' ' 5' ' ' VAL . 33.5 mt-10 -142.65 61.92 11.9 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.627 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -75.47 22.81 0.44 Allowed 'Trans proline' 0 C--N 1.306 -1.679 0 C-N-CA 122.76 2.307 . . . . 0.0 112.089 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.435 ' H ' ' C ' ' A' ' 3' ' ' GLU . 10.4 t 45.84 78.57 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.514 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 m -139.18 14.44 2.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.568 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.8 mt -52.12 177.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.602 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.8 mt -70.43 86.22 0.61 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.724 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 16.4 m -151.3 75.47 7.99 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.454 179.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -55.02 -34.58 87.53 Favored 'Trans proline' 0 C--N 1.307 -1.65 0 C-N-CA 122.8 2.334 . . . . 0.0 112.095 179.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.5 m -59.23 -27.44 65.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.685 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.28 -43.79 11.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.569 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.3 mp -60.49 94.6 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.303 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -125.15 96.3 39.9 Favored Pre-proline 0 CA--C 1.534 0.345 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.414 179.556 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -55.87 -16.17 15.14 Favored 'Trans proline' 0 N--CA 1.496 1.647 0 C-N-CA 122.654 2.236 . . . . 0.0 112.11 179.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.0 mp -54.36 -39.9 67.57 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.662 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 15.8 mt -57.54 -52.05 62.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.588 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.46 -37.53 83.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.474 -179.757 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.8 m -65.37 -46.6 79.5 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.405 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.3 mt -63.59 -44.7 93.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.709 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.07 -45.71 86.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.346 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.2 -45.43 75.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.62 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.6 mm -61.52 -46.98 95.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.487 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.01 -40.93 86.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.427 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 48.9 t -65.82 -47.62 85.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.568 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 77.5 t -56.75 -44.89 82.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.434 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 80.1 mt -60.86 -48.36 89.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.544 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.9 tp -53.72 -45.65 70.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.604 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.426 ' O ' ' OG1' ' A' ' 32' ' ' THR . 69.2 t -63.54 -44.54 98.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.579 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.9 tp -61.48 -42.15 98.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.47 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.07 -43.12 99.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.423 -179.754 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.426 ' OG1' ' O ' ' A' ' 29' ' ' VAL . 0.1 OUTLIER -57.94 -46.34 85.22 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.535 179.952 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 80.2 t -56.75 -41.73 75.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.315 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.3 mp -67.91 -38.47 82.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.573 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.86 -40.86 95.82 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.643 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.69 -46.73 81.14 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.518 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.86 -41.48 74.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.485 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.31 -39.83 85.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.476 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 57.6 t-80 -63.19 -36.68 84.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.646 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 63.6 ttt-85 -66.79 -48.78 67.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.554 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 10.0 mmm-85 -59.49 -32.4 70.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.545 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.86 -43.07 66.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.559 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.4 tp -55.4 -43.32 75.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.449 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 48' ' ' TRP . 2.0 mmmm -67.86 -48.45 66.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.423 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -61.03 -21.86 64.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.525 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.1 ttpt -81.07 -47.23 13.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.516 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.1 tp -83.43 -14.76 11.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.645 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.426 ' N ' ' O ' ' A' ' 44' ' ' LYS . 31.2 t90 -135.65 70.67 65.71 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.527 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo . . . . . 0 C--N 1.306 -1.693 0 C-N-CA 122.797 2.332 . . . . 0.0 112.114 179.973 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.402 ' O ' ' SD ' ' A' ' 1' ' ' MET . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -106.06 134.53 49.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.632 -179.772 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 53.5 59.9 12.36 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.065 0.459 . . . . 0.0 110.653 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -74.44 -29.79 8.89 Favored 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 122.665 2.243 . . . . 0.0 111.959 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 8.4 p -61.54 -28.93 45.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.539 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -96.42 -28.46 14.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.697 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.0 tp -73.47 -45.19 55.61 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.629 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 56.44 97.93 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.856 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -136.2 160.16 68.09 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.607 -179.639 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -70.51 -28.42 21.64 Favored 'Trans proline' 0 C--N 1.307 -1.63 0 C-N-CA 122.735 2.29 . . . . 0.0 112.038 179.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.3 m -75.03 0.66 15.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.802 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -115.55 -39.22 3.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.518 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -47.47 98.61 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.823 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -116.02 161.33 31.49 Favored Pre-proline 0 N--CA 1.454 -0.24 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.855 -179.77 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_exo -42.27 -37.4 4.87 Favored 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.782 2.321 . . . . 0.0 112.305 179.336 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -61.09 -56.34 22.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.769 -179.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 75.0 mt -57.78 -28.93 33.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.546 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.82 -51.94 42.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.482 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 44.1 p -60.21 -36.79 78.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.468 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.1 tp -62.14 -48.64 79.22 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.768 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -63.87 -41.54 97.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.471 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.2 mp -60.92 -45.97 92.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.626 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.4 mm -61.9 -43.54 97.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.545 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.44 -45.52 88.35 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.766 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 99.3 t -59.91 -46.55 93.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.592 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 57.7 t -58.9 -38.98 76.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.571 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.7 mm -71.67 -34.27 51.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.62 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.14 -52.64 64.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.583 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 28.2 m -66.04 -33.73 65.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.507 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.8 tp -64.77 -46.09 83.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.331 -179.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.8 mt -60.45 -48.35 82.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.609 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -55.87 -48.62 75.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.588 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 43.0 t -54.63 -38.99 44.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.419 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -68.6 -40.25 80.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.698 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.42 -37.68 88.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.59 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.8 -45.95 87.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.472 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.7 mt -61.43 -45.65 93.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.74 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 41.7 t -58.0 -48.35 80.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.644 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -59.9 -51.2 70.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.554 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 41.6 ttt180 -52.91 -37.83 61.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.511 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 18.5 ttm-85 -63.69 -52.3 61.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.598 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.31 -33.24 73.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.52 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.4 mp -62.73 -43.73 98.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.619 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.7 ttpt -65.84 -38.69 89.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.579 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -64.95 -35.75 82.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.57 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.7 ttmm -68.43 -38.29 81.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.594 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 72.2 mt -83.89 -15.42 11.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.625 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 28.9 m95 -149.25 67.96 9.19 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.638 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo . . . . . 0 C--N 1.306 -1.71 0 C-N-CA 122.799 2.333 . . . . 0.0 112.178 -179.885 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.3 ttt . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.4 m -159.71 -12.55 0.06 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.606 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -137.15 64.81 49.08 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.537 179.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -77.86 122.58 5.91 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.736 2.291 . . . . 0.0 112.12 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 78.4 t -89.85 -56.72 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.593 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 p -53.97 -76.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.508 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.5 tp 47.1 20.24 0.12 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.528 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.2 mt -135.03 118.46 16.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.535 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.9 p -139.05 73.89 37.72 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.569 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -72.77 -40.48 1.94 Allowed 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.806 2.337 . . . . 0.0 112.193 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.3 t -50.91 -27.07 6.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.57 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.31 -44.81 6.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.619 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -65.14 90.06 0.09 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.594 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -119.21 94.84 48.81 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.514 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -51.17 -15.36 2.07 Favored 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 122.802 2.334 . . . . 0.0 112.085 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.96 -37.05 71.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.557 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.413 ' CG2' ' N ' ' A' ' 18' ' ' LEU . 18.6 tt -69.91 -37.6 73.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.588 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.413 ' N ' ' CG2' ' A' ' 17' ' ' ILE . 0.9 OUTLIER -62.0 -42.2 98.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.588 179.83 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.0 m -66.64 -41.83 87.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.533 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -57.18 -48.34 78.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.595 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.72 -42.28 92.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.556 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.31 -45.52 92.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.595 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 54.6 mt -62.72 -44.71 99.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.494 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.4 tp -56.43 -47.61 78.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.567 179.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 47.5 t -61.31 -37.49 77.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.535 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 86.5 t -64.82 -39.0 84.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.588 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 81.7 mt -63.87 -48.3 86.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.547 179.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.52 -42.81 79.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.495 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 38.9 t -63.66 -45.23 98.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.584 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.7 tp -65.53 -37.03 85.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.612 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.1 tp -59.79 -44.14 94.09 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.55 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.95 -37.03 83.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.51 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 97.1 t -61.36 -45.89 97.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.58 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.0 mt -65.8 -32.24 73.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.62 179.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.51 -43.02 81.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.55 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.25 -36.83 84.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.619 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.1 tp -61.05 -43.82 98.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.558 -179.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.0 m -68.4 -43.92 76.22 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.471 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -54.51 -45.13 73.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.529 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 27.0 ttp180 -66.4 -46.13 77.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.515 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.466 HH11 ' CG ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -55.67 -43.76 76.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.595 179.905 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.71 -42.93 98.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.642 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.8 mt -63.19 -42.56 99.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.583 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.97 -44.04 86.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.612 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -63.18 -42.86 99.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.499 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.2 tttt -64.54 -36.6 84.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.55 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 69.0 mt -81.75 -15.08 12.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.581 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 29.2 t90 -166.31 76.61 1.16 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.544 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo . . . . . 0 C--N 1.305 -1.756 0 C-N-CA 122.83 2.354 . . . . 0.0 112.165 -179.997 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.7 mtt . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.1 p -102.11 113.96 27.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.424 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -104.71 155.06 38.04 Favored Pre-proline 0 C--N 1.331 -0.2 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.804 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -67.35 -53.4 0.48 Allowed 'Trans proline' 0 N--CA 1.494 1.53 0 C-N-CA 122.688 2.258 . . . . 0.0 112.32 179.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.3 p -57.09 -33.17 42.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.467 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.4 t -73.92 -44.05 56.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.348 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.6 -42.48 74.89 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.764 -179.395 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 29.6 mt -110.09 104.56 13.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.433 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.36 164.27 20.59 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.427 -179.769 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -43.31 -34.81 4.91 Favored 'Trans proline' 0 C--N 1.311 -1.406 0 C-N-CA 122.673 2.249 . . . . 0.0 112.36 179.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.0 p -74.64 -33.49 62.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.584 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.13 -35.08 73.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.677 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.4 mp -60.22 98.63 0.06 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.62 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.431 ' OD1' ' N ' ' A' ' 14' ' ' ASP . 0.0 OUTLIER -100.96 159.77 28.58 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.613 179.935 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -62.71 -17.67 60.17 Favored 'Trans proline' 0 N--CA 1.494 1.518 0 C-N-CA 122.885 2.39 . . . . 0.0 112.055 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.1 mp -55.78 -34.56 65.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.511 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.42 ' CG2' ' N ' ' A' ' 18' ' ' LEU . 3.2 tp -70.1 -37.91 73.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.633 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.42 ' N ' ' CG2' ' A' ' 17' ' ' ILE . 0.8 OUTLIER -59.69 -44.32 93.69 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.492 -179.57 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 75.8 p -64.23 -47.65 78.84 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.5 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.7 tt -53.74 -42.21 67.9 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.48 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.7 m -65.78 -40.24 91.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.579 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.47 -49.91 73.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.023 0.44 . . . . 0.0 110.554 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.6 mp -61.47 -40.81 87.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.331 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.7 mp -60.72 -45.93 92.36 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.81 -179.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 28.8 t -56.49 -40.01 65.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.348 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 67.9 t -66.53 -46.35 86.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.402 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.3 mt -59.71 -37.16 69.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.288 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.0 tp -60.0 -52.98 63.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.686 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 74.5 t -58.59 -44.82 90.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.425 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -60.76 -40.68 93.38 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.54 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.1 mt -58.68 -42.8 89.36 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.425 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.69 -44.93 94.98 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.59 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.4 t -56.82 -45.63 83.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.027 0.442 . . . . 0.0 110.239 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.04 -35.74 82.15 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.477 -179.728 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.77 -42.5 81.64 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.207 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.2 mt -61.75 -37.48 84.42 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.371 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.9 mt -65.38 -46.69 79.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.437 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.66 -38.85 91.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.448 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 70.3 t60 -63.55 -47.86 79.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.69 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.89 -45.87 74.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.561 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.97 -42.03 88.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.589 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.13 -43.73 98.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.547 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.18 -47.37 75.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.596 -179.706 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.7 mmtp -68.46 -41.97 79.42 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.411 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -65.2 -20.06 66.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.709 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.7 mttp -83.51 -39.39 20.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.585 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.4 tp -91.4 -9.28 10.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.569 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.542 ' O ' ' CG ' ' A' ' 48' ' ' TRP . 23.8 t90 -147.68 65.07 8.94 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.139 0.495 . . . . 0.0 110.46 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.304 -1.776 0 C-N-CA 122.525 2.15 . . . . 0.0 112.086 -179.969 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.5 mtt . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.3 p -176.5 -102.56 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.65 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -158.96 61.5 1.9 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.483 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -74.42 86.46 1.33 Allowed 'Trans proline' 0 C--N 1.307 -1.627 0 C-N-CA 122.839 2.359 . . . . 0.0 112.223 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.4 m -63.78 177.15 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.578 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.66 -27.23 66.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.712 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.9 tp -50.69 -28.07 8.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.338 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.426 ' C ' ' HG1' ' A' ' 9' ' ' THR . 35.5 mt -97.9 174.84 6.38 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.472 -179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' THR . . . . . 0.426 ' HG1' ' C ' ' A' ' 8' ' ' LEU . 5.8 m -151.2 78.44 7.15 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.497 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -54.39 -22.43 27.02 Favored 'Trans proline' 0 C--N 1.306 -1.674 0 C-N-CA 122.78 2.32 . . . . 0.0 112.12 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.73 -24.17 66.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.659 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -106.21 -45.99 4.17 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.546 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.3 mp -64.04 95.7 0.13 Allowed 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.619 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.31 163.96 34.7 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.913 -179.671 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -47.2 -43.38 25.83 Favored 'Trans proline' 0 C--N 1.311 -1.41 0 C-N-CA 122.511 2.14 . . . . 0.0 112.301 179.489 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.5 mp -58.26 -59.59 5.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.562 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 64.4 mt -57.06 -40.8 75.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.451 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.4 tp -59.64 -47.41 85.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.582 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 99.0 m -64.93 -41.89 95.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.765 -179.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.6 tp -63.35 -38.96 93.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.625 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.6 m -63.22 -44.42 95.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.434 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.41 -44.22 88.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.58 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 86.7 mt -63.33 -43.75 98.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.557 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.4 -41.76 97.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.589 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 74.4 t -70.33 -36.79 68.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.531 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 69.5 t -65.17 -38.01 81.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.424 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 13.8 mt -65.52 -48.5 82.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.536 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.5 tp -57.92 -49.94 75.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.569 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.5 t -62.01 -44.06 98.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.47 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.62 -40.73 79.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.562 -179.662 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.3 mp -62.52 -48.23 80.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.628 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -55.75 -40.4 72.49 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.589 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 50.6 t -59.28 -50.71 78.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.54 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.1 mt -61.55 -30.16 70.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.563 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.6 -52.27 53.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.69 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.7 mt -64.71 -39.25 93.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.616 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.4 -45.31 72.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.567 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.4 t -68.68 -45.54 71.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.555 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 17.1 t-80 -54.54 -41.76 70.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.557 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.31 -44.12 79.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.614 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 -57.08 -40.52 77.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.669 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.36 -41.99 72.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.529 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.14 -38.77 84.12 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.652 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 26.6 tttm -69.86 -56.44 7.09 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.75 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -65.26 -7.32 12.57 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.662 -179.67 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 25.0 tttp -91.98 -46.55 7.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.446 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 12.0 tt -81.25 -25.94 10.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.551 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . 0.496 ' O ' ' CD1' ' A' ' 48' ' ' TRP . 74.5 t-105 -137.93 66.49 47.58 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.608 -179.761 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_exo . . . . . 0 C--N 1.304 -1.779 0 C-N-CA 122.841 2.36 . . . . 0.0 112.059 179.871 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.5 ttt . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.3 t 42.41 92.69 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.526 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -135.63 62.04 46.33 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.5 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -74.6 -36.29 3.01 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.672 2.248 . . . . 0.0 112.18 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.9 m -62.2 -10.18 4.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.648 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.1 t -115.93 -37.67 3.83 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.589 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.2 mp -98.84 157.69 16.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.8 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.428 ' N ' ' CD1' ' A' ' 8' ' ' LEU . 10.0 mp -77.85 103.76 7.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.498 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.1 p -137.05 75.64 47.26 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.397 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -50.3 -23.58 10.29 Favored 'Trans proline' 0 C--N 1.306 -1.673 0 C-N-CA 122.807 2.338 . . . . 0.0 112.125 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 28.9 t -69.07 -16.24 63.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.627 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.99 -37.35 6.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.626 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.6 tp -83.0 84.13 7.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.646 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -105.09 165.01 13.95 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.805 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_exo -42.82 -41.3 8.6 Favored 'Trans proline' 0 C--N 1.309 -1.508 0 C-N-CA 122.647 2.231 . . . . 0.0 112.199 179.639 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.2 mt -60.58 -49.58 76.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.488 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.8 mm -59.87 -41.21 85.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.468 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.51 -48.66 80.79 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.443 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 81.7 m -55.51 -43.55 75.8 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.56 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.4 tp -60.68 -43.52 97.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.518 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.0 m -67.48 -38.41 84.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.616 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.4 tp -60.45 -46.68 89.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.467 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.9 mm -59.55 -43.91 91.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.452 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.27 -43.33 99.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.585 -179.62 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 92.8 t -63.73 -43.7 98.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.432 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 51.2 t -56.42 -50.94 70.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.596 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 16.0 mt -55.9 -42.43 71.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.378 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.99 -49.06 74.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.667 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.403 ' O ' ' OG1' ' A' ' 32' ' ' THR . 43.8 t -66.01 -42.41 91.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.606 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.19 -43.78 98.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.647 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.1 tt -60.04 -45.01 94.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.53 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.403 ' OG1' ' O ' ' A' ' 29' ' ' VAL . 0.3 OUTLIER -57.44 -46.79 83.19 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.577 -179.776 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 67.2 t -54.73 -49.13 70.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.473 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.5 mt -56.4 -39.06 72.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.425 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.64 -52.63 56.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.619 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.0 tp -59.42 -37.33 77.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.467 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -64.28 -46.14 84.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.705 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.9 t -58.01 -39.99 79.67 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.481 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -66.02 -43.13 88.53 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.673 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.17 -42.0 85.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.604 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 48.4 ttp180 -55.12 -45.64 75.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.531 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.89 -51.07 61.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.508 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.9 mp -47.52 -41.47 21.14 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.626 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.2 mttm -68.13 -53.38 25.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.602 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.46 -15.39 60.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.604 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 29.6 mmtt -78.22 -46.21 21.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.543 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 22.5 pt -80.9 -20.31 11.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.603 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 24.7 m95 -152.04 76.33 7.21 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.534 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo . . . . . 0 C--N 1.303 -1.855 0 C-N-CA 122.843 2.362 . . . . 0.0 111.971 -179.91 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.1 tp . . . . . 0 C--O 1.233 0.217 0 CA-C-O 120.847 0.356 . . . . 0.0 110.467 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 24.3 t -59.98 -42.23 88.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.635 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 42.4 t -61.37 -41.63 90.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.608 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 22.4 mt -65.85 -41.66 90.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.483 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.9 mt -59.91 -37.0 78.19 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-O 121.052 0.453 . . . . 0.0 110.685 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.581 ' O ' HG23 ' A' ' 33' ' ' VAL . 55.9 t -73.18 -36.45 50.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.631 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.1 mp -66.97 -42.94 84.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.652 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.9 -44.37 97.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.587 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.92 -49.2 77.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.617 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 29' ' ' VAL . 97.7 t -55.99 -42.66 72.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.442 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.1 tp -65.74 -35.65 81.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.534 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.9 -46.81 80.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.557 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.2 mp -62.5 -36.73 83.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.563 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.21 -43.19 92.33 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.622 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.72 -45.68 92.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.709 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 66.2 m-70 -60.39 -49.02 79.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.525 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.2 mtt-85 -58.66 -42.82 89.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.512 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 44.4 mtt180 -61.21 -40.81 95.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.621 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.96 -47.17 86.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.559 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.6 tp -56.01 -39.35 71.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.594 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.3 tttm -70.65 -44.16 67.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.657 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -59.16 -38.48 79.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.51 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.0 mtpt . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.58 -179.996 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.813 0.339 . . . . 0.0 110.541 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.657 ' O ' HG23 ' A' ' 29' ' ' VAL . 92.5 t -65.29 -39.83 86.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.49 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 77.7 t -56.7 -48.85 80.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.462 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 33.3 mt -60.05 -44.98 96.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.551 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.82 -44.86 82.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.519 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 25' ' ' VAL . 61.6 t -56.6 -47.13 82.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.471 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.5 mp -64.53 -34.52 78.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.59 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.01 -53.28 59.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.438 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.77 -47.03 88.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.486 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 29' ' ' VAL . 92.4 t -54.3 -46.11 68.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.463 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.487 ' O ' HD23 ' A' ' 34' ' ' LEU . 0.7 OUTLIER -65.91 -39.19 90.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.483 179.788 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.33 -44.83 95.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.545 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.0 mt -63.57 -42.64 98.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.498 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.67 -40.52 83.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.469 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.26 -48.39 80.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.616 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -59.56 -39.47 84.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.548 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.37 -46.09 88.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.63 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -61.6 -41.71 97.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.569 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.82 -48.9 72.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.498 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.8 tp -57.44 -34.54 69.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.575 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 20.3 tttp -70.1 -49.17 53.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.438 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -56.44 -26.32 53.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.652 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.602 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.1 tp . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.792 0.33 . . . . 0.0 110.622 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 42.5 t -56.44 -44.36 80.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.5 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 67.1 t -60.87 -47.13 94.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.608 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 90.5 mt -58.95 -47.27 90.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.469 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.1 mt -51.65 -45.48 63.37 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.495 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.409 ' O ' HG23 ' A' ' 33' ' ' VAL . 56.7 t -60.85 -50.07 82.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.487 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.53 -40.28 86.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.624 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.6 tp -59.68 -47.8 84.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.556 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -59.56 -41.65 90.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.641 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 29' ' ' VAL . 72.9 t -54.95 -53.93 28.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.433 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.4 mp -57.19 -35.21 69.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.352 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.81 -46.79 77.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.549 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.9 mp -60.52 -39.02 86.32 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.54 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.3 mp -66.31 -41.79 89.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.632 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 88.2 p -61.59 -42.35 98.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.553 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 14.5 m170 -66.93 -36.95 83.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.518 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -65.45 -41.09 93.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.584 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.6 tpp180 -65.85 -36.47 83.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.602 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.44 -40.5 81.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.682 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.8 -36.64 84.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.638 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.0 tttp -67.56 -40.56 84.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.713 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -67.63 -37.83 83.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.563 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.2 tttm . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.56 -179.925 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.7 tp . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.783 0.325 . . . . 0.0 110.571 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 58.4 t -63.29 -42.21 95.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.54 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 72.0 t -57.92 -43.4 84.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.409 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 14.5 mt -69.05 -42.59 82.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.632 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.4 mp -58.64 -39.03 79.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.529 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 23.6 t -68.53 -40.43 82.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.566 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.4 mp -67.73 -39.46 84.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.525 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.2 mt -59.98 -43.23 95.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.404 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -63.96 -44.13 93.68 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.523 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 56.0 t -53.54 -47.88 59.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.396 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.5 mt -66.12 -38.4 88.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.356 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.27 -40.79 97.41 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.486 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.4 tp -66.82 -44.57 80.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.643 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.76 -41.66 82.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.587 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 75.0 m -62.81 -44.7 95.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.497 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -58.4 -43.56 88.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.561 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.3 tpp85 -63.62 -44.41 94.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.601 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 57.4 mtp180 -60.03 -43.79 95.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.549 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.65 -43.64 89.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.486 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.85 -45.92 90.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.514 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.9 tttm -57.94 -39.4 77.95 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.607 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -65.6 -41.05 93.23 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.638 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.4 tttm . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.648 -179.975 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.0 tp . . . . . 0 N--CA 1.456 -0.138 0 CA-C-O 120.858 0.361 . . . . 0.0 110.522 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 41.9 t -56.9 -47.33 83.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.47 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 92.9 t -55.54 -46.79 79.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.455 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.4 mt -62.65 -41.91 94.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.444 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.19 -43.97 98.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.667 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 70.7 t -61.52 -44.19 98.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.494 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.5 tp -63.12 -43.51 98.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.502 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.57 -47.05 83.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.324 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -56.61 -45.02 81.71 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.526 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 41.8 t -56.05 -52.07 54.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.539 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.76 -32.44 71.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.441 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.88 -52.15 61.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.601 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.4 mp -59.57 -39.56 84.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.479 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.9 mp -58.44 -47.82 82.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.609 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.23 -40.2 95.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.454 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -59.23 -44.81 92.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.618 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.6 mtp85 -64.6 -43.09 94.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.566 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.2 ttt-85 -58.92 -42.8 90.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.668 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.73 -46.46 85.26 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.576 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.04 -38.35 82.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.573 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 26.2 mmtt -63.73 -46.81 83.7 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.542 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -61.82 -36.41 81.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.748 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.645 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.7 mp . . . . . 0 N--CA 1.458 -0.062 0 CA-C-O 120.872 0.368 . . . . 0.0 110.418 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 98.2 t -66.03 -44.08 92.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.444 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 67.1 t -56.08 -41.79 70.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.704 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 14.4 mt -68.16 -41.98 84.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.617 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.3 mp -62.5 -37.26 85.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.632 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 24.6 t -63.9 -45.03 98.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.602 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.53 -37.99 88.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.454 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.2 mt -56.13 -48.84 75.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.482 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.74 -43.13 99.46 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.502 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 43.4 t -58.91 -43.91 89.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.421 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.6 mt -67.8 -32.57 73.23 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.457 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.04 -38.3 75.8 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.587 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.1 mt -65.59 -38.51 89.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.462 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.75 -39.13 80.47 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.564 -179.802 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.26 -45.6 92.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.389 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.85 -43.29 96.57 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.509 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 30.3 mmm-85 -57.63 -44.24 85.41 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.514 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.9 tpp180 -63.46 -48.21 78.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.704 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -53.23 -47.77 68.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.547 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.8 mt -58.23 -43.22 87.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.597 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.0 tttt -62.29 -42.32 99.26 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.469 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 53.3 mm-40 -62.98 -38.43 91.11 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.532 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.327 -0.395 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.64 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.4 tp . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.789 0.328 . . . . 0.0 110.607 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.458 ' O ' HG23 ' A' ' 29' ' ' VAL . 20.2 t -60.5 -43.58 94.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.669 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 82.9 t -64.38 -43.37 97.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.616 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 40.5 mt -62.75 -41.53 92.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.53 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.51 -48.32 82.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.586 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.468 ' O ' HG23 ' A' ' 33' ' ' VAL . 57.3 t -61.82 -42.2 93.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.558 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.9 tp -60.26 -45.79 92.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.628 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.6 mp -59.87 -39.23 84.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.642 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.46 -42.36 87.66 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.658 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 29' ' ' VAL . 73.5 t -57.1 -47.22 84.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.458 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.8 mt -65.69 -32.59 74.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.527 179.737 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.37 -42.08 84.02 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.51 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.402 HD23 ' O ' ' A' ' 36' ' ' LEU . 0.6 OUTLIER -63.12 -40.82 98.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.517 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.419 ' O ' HD23 ' A' ' 37' ' ' LEU . 0.7 OUTLIER -62.38 -41.61 98.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.539 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.59 -42.85 99.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.587 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.98 -48.84 79.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.617 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 13.7 mmt85 -59.34 -46.36 88.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.564 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -55.07 -42.49 72.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.579 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.53 -44.18 91.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.46 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.9 mp -55.27 -38.15 68.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.573 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.2 tptt -67.92 -50.59 55.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.671 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -59.86 -30.01 68.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.593 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 32.7 mttt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.558 179.881 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.737 0.303 . . . . 0.0 110.532 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.457 ' O ' HG23 ' A' ' 29' ' ' VAL . 89.2 t -72.84 -37.56 55.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.615 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 90.2 t -57.75 -51.14 73.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.591 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.6 mp -61.85 -50.89 78.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.506 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.5 mp -51.33 -47.4 62.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.517 -179.279 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 25' ' ' VAL . 71.6 t -62.64 -45.06 99.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.525 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.5 mt -61.58 -42.56 99.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.591 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.42 -39.25 86.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.396 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.32 -41.16 90.07 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.424 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 40.3 t -55.42 -44.2 74.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.353 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.6 mt -66.72 -37.23 84.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.376 179.563 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.02 -44.65 87.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.493 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.6 mp -66.0 -42.28 89.96 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.569 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.1 mt -58.73 -44.32 90.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.554 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.5 m -61.43 -46.39 90.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.578 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 16.6 t-80 -59.52 -39.97 85.61 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.553 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 19.0 mtp85 -67.4 -42.98 82.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.583 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.75 -42.51 97.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.647 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.4 -53.33 44.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.563 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.2 tp -47.42 -40.84 18.87 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.58 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 18.7 tttt -70.05 -47.11 63.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.476 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -68.11 -11.83 59.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.578 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 75.5 tttt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.52 179.976 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.7 tp . . . . . 0 N--CA 1.457 -0.094 0 CA-C-O 120.845 0.355 . . . . 0.0 110.581 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.514 ' O ' HG23 ' A' ' 29' ' ' VAL . 3.4 t -60.59 -45.8 96.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.658 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 39.1 t -60.61 -39.68 82.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.576 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 20.3 mt -65.46 -41.95 92.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.543 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.77 -46.86 86.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.544 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 25' ' ' VAL . 35.5 t -59.55 -43.43 90.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.615 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.63 -47.3 84.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.537 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.3 tp -55.29 -41.2 71.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.597 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.93 -47.8 81.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.495 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 29' ' ' VAL . 90.0 t -56.36 -43.42 77.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.552 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 tp -64.78 -38.41 90.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.588 179.663 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.87 -45.46 93.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.658 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.5 mp -62.95 -45.73 91.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.538 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.7 mt -59.57 -41.31 89.93 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.599 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.1 p -59.79 -46.93 87.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.545 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 5.7 m80 -54.92 -47.74 74.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.652 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 21.2 ttp180 -63.8 -43.9 94.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.527 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 21.2 mtp85 -60.85 -40.34 92.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.525 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.51 -41.57 98.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.577 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.533 HD23 ' O ' ' A' ' 43' ' ' LEU . 1.1 tt -60.84 -48.2 82.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.62 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -57.32 -51.97 67.22 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.63 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -50.67 -43.92 57.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.538 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.612 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.457 -0.104 0 CA-C-O 120.816 0.341 . . . . 0.0 110.506 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.468 ' O ' HG23 ' A' ' 29' ' ' VAL . 63.2 t -62.59 -52.27 61.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.421 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 41.5 t -51.18 -48.17 31.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.475 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 81.6 mt -60.46 -43.95 95.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.538 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.43 ' O ' ' OG1' ' A' ' 32' ' ' THR . 1.0 OUTLIER -56.57 -40.99 76.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.44 179.746 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 25' ' ' VAL . 48.7 t -62.13 -48.04 90.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.63 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.2 mp -57.36 -44.82 84.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.628 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.4 mp -59.96 -42.43 94.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.562 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.43 ' OG1' ' O ' ' A' ' 28' ' ' LEU . 0.1 OUTLIER -60.65 -49.49 77.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.566 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 86.5 t -56.68 -46.2 82.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.519 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.0 tp -62.07 -29.93 70.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.583 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.65 -54.43 10.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.584 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.2 mt -57.37 -37.74 73.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.588 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.472 ' O ' HD23 ' A' ' 37' ' ' LEU . 0.9 OUTLIER -61.79 -47.16 86.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.638 -179.865 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.7 t -62.89 -45.57 91.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.615 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -59.27 -43.59 92.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.517 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 16.6 mmt180 -61.28 -40.62 94.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.64 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.4 ttt-85 -65.27 -42.31 93.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.534 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.14 -49.56 77.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.446 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' A' ' 43' ' ' LEU . 1.6 mm? -58.81 -40.84 85.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.803 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 53.0 tttm -58.08 -50.21 74.26 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.611 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -65.05 -31.36 72.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.63 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 89.0 tttt . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.651 -179.83 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.5 mt . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.789 0.328 . . . . 0.0 110.543 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 95.4 t -60.11 -44.5 95.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.564 -179.263 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 16.2 t -62.14 -43.84 98.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.58 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.5 mm -56.28 -41.75 71.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.578 179.649 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.45 -49.18 70.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.504 179.795 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.454 ' O ' HG23 ' A' ' 33' ' ' VAL . 96.8 t -59.44 -40.06 80.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.513 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.2 tp -62.32 -45.69 92.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.544 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.0 tp -57.08 -41.93 79.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.542 -179.551 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.33 -43.47 97.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.613 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 29' ' ' VAL . 82.7 t -56.28 -46.19 81.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.523 179.752 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.0 mp -64.96 -38.99 92.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.562 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.32 -48.71 80.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.581 -179.467 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.8 mp -63.06 -45.14 93.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.599 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.7 tp -59.4 -43.13 93.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.66 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.6 -48.68 80.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.557 179.502 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 56.7 t60 -59.88 -42.37 93.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.522 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.5 tpt180 -61.19 -43.96 98.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.696 -179.189 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.7 mmm-85 -64.75 -40.34 95.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.585 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.09 -42.02 94.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.492 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.55 -34.71 78.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.607 -179.088 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.2 tttp -66.55 -49.77 65.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.565 179.738 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -54.75 -43.15 72.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.515 179.508 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.0 mmtm . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.598 179.819 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.457 -0.099 0 CA-C-O 120.904 0.383 . . . . 0.0 110.469 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.448 ' O ' HG23 ' A' ' 29' ' ' VAL . 75.6 t -60.95 -44.7 98.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.637 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 86.4 t -55.98 -43.04 73.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.554 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.426 ' N ' HD12 ' A' ' 27' ' ' ILE . 1.6 mp -70.43 -44.69 77.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.452 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.3 tt -54.69 -41.65 70.49 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.606 -179.676 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.532 ' O ' HG23 ' A' ' 33' ' ' VAL . 94.8 t -65.95 -51.24 63.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.579 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.49 -32.73 67.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.478 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.13 -45.98 82.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.632 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -65.07 -38.49 90.98 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.632 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 29' ' ' VAL . 59.4 t -59.54 -46.18 93.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.1 mp -64.36 -31.44 72.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.428 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.78 -44.61 63.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.69 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.94 -41.83 88.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.549 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.4 mp -62.21 -45.65 92.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.585 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 74.4 m -59.59 -45.32 92.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.441 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -59.23 -37.8 78.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.536 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.37 -53.64 49.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.529 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 64.8 mtp180 -56.23 -41.33 75.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.455 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.86 -47.73 82.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.676 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.83 -43.65 81.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.701 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 16.6 mttp -63.94 -44.2 93.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.558 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -60.46 -36.71 78.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.618 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 28.7 mttt . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.634 179.982 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.6 mt . . . . . 0 C--O 1.233 0.211 0 CA-C-O 120.772 0.32 . . . . 0.0 110.564 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.574 ' O ' HG23 ' A' ' 29' ' ' VAL . 99.1 t -67.3 -37.05 78.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.426 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 24.4 t -65.55 -41.18 90.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.543 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 86.8 mt -62.74 -44.62 99.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.633 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.498 ' O ' HD23 ' A' ' 28' ' ' LEU . 1.1 tt -57.14 -49.11 76.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.497 -179.823 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 25' ' ' VAL . 42.7 t -57.12 -42.53 79.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.346 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -59.47 -43.94 93.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.639 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.6 tp -62.65 -44.81 95.32 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.231 179.619 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -58.41 -46.54 86.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.609 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 53.7 t -55.66 -42.89 71.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.467 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.1 mp -64.26 -39.41 93.89 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.459 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.14 -41.0 95.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.564 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.5 mp -64.41 -41.1 96.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.526 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.7 -35.46 80.64 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.565 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.6 p -68.24 -47.48 67.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.669 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 4.1 m80 -58.25 -44.59 88.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.401 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.515 HH11 ' CG ' ' A' ' 40' ' ' ARG . 0.1 OUTLIER -58.25 -44.92 88.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.535 179.888 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.07 -49.46 77.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.577 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.82 -45.39 86.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.523 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.09 -45.25 89.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.612 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.2 tptt -55.92 -38.88 70.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.531 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -70.77 -48.49 54.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.581 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.7 tttm . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.526 -179.965 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.3 tp . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.792 0.33 . . . . 0.0 110.579 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 44.6 t -64.91 -49.11 81.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.591 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 61.2 t -53.49 -45.46 58.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.53 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 77.6 mt -60.32 -49.38 84.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.563 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -51.27 -45.31 62.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.578 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.54 ' O ' HG23 ' A' ' 33' ' ' VAL . 58.5 t -61.95 -49.6 83.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.596 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.433 HD13 ' HA ' ' A' ' 30' ' ' LEU . 2.2 mm? -60.82 -34.73 74.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.552 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.95 -51.13 69.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.594 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -61.61 -37.57 84.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.514 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 29' ' ' VAL . 70.1 t -59.9 -43.71 92.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.574 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.33 -34.3 75.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.522 179.579 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.17 -49.12 63.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.553 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.4 mt -54.19 -46.61 72.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.565 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 mt -59.39 -48.85 80.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.564 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.4 m -60.39 -42.95 96.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.583 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -62.45 -42.82 99.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.527 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.3 ttm180 -61.41 -39.79 92.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.571 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 -61.89 -51.2 69.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.555 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.26 -38.64 74.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.507 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.33 -40.79 81.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.568 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.8 mtpm? -63.17 -45.32 92.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.555 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -57.16 -48.04 79.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.626 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.1 tptt . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.548 -179.676 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.787 0.327 . . . . 0.0 110.427 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 48.9 t -65.82 -47.62 85.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.568 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 77.5 t -56.75 -44.89 82.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.434 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 80.1 mt -60.86 -48.36 89.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.544 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.9 tp -53.72 -45.65 70.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.604 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 69.2 t -63.54 -44.54 98.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.579 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.9 tp -61.48 -42.15 98.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.47 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.07 -43.12 99.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.423 -179.754 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -57.94 -46.34 85.22 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.535 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 80.2 t -56.75 -41.73 75.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.315 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.3 mp -67.91 -38.47 82.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.573 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.86 -40.86 95.82 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.643 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.69 -46.73 81.14 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.518 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.86 -41.48 74.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.485 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.31 -39.83 85.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.476 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 57.6 t-80 -63.19 -36.68 84.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.646 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 63.6 ttt-85 -66.79 -48.78 67.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.554 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 10.0 mmm-85 -59.49 -32.4 70.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.545 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.86 -43.07 66.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.559 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.4 tp -55.4 -43.32 75.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.449 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.0 mmmm -67.86 -48.45 66.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.423 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -61.03 -21.86 64.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.525 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.1 ttpt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.516 -179.991 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.455 -0.222 0 CA-C-O 120.892 0.377 . . . . 0.0 110.766 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 99.3 t -59.91 -46.55 93.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.592 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 57.7 t -58.9 -38.98 76.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.571 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.7 mm -71.67 -34.27 51.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.62 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.14 -52.64 64.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.583 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 28.2 m -66.04 -33.73 65.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.507 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.8 tp -64.77 -46.09 83.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.331 -179.702 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.8 mt -60.45 -48.35 82.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.609 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -55.87 -48.62 75.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.588 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 43.0 t -54.63 -38.99 44.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.419 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -68.6 -40.25 80.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.698 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.42 -37.68 88.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.59 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.8 -45.95 87.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.472 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.7 mt -61.43 -45.65 93.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.74 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 41.7 t -58.0 -48.35 80.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.644 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -59.9 -51.2 70.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.554 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 41.6 ttt180 -52.91 -37.83 61.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.511 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 18.5 ttm-85 -63.69 -52.3 61.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.598 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.31 -33.24 73.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.52 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.4 mp -62.73 -43.73 98.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.619 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.7 ttpt -65.84 -38.69 89.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.579 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -64.95 -35.75 82.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.57 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.7 ttmm . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.594 -179.987 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.4 tp . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.812 0.339 . . . . 0.0 110.567 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 47.5 t -61.31 -37.49 77.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.535 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 86.5 t -64.82 -39.0 84.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.588 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 81.7 mt -63.87 -48.3 86.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.547 179.643 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.52 -42.81 79.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.495 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.672 ' O ' HG23 ' A' ' 33' ' ' VAL . 38.9 t -63.66 -45.23 98.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.584 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.7 tp -65.53 -37.03 85.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.612 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.1 tp -59.79 -44.14 94.09 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.55 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.95 -37.03 83.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.51 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.672 HG23 ' O ' ' A' ' 29' ' ' VAL . 97.1 t -61.36 -45.89 97.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.58 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.0 mt -65.8 -32.24 73.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.62 179.568 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.51 -43.02 81.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.55 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.25 -36.83 84.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.619 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.1 tp -61.05 -43.82 98.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.558 -179.703 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.0 m -68.4 -43.92 76.22 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.471 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -54.51 -45.13 73.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.529 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 27.0 ttp180 -66.4 -46.13 77.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.515 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.477 HH11 ' CG ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -55.67 -43.76 76.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.595 179.905 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.71 -42.93 98.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.642 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.8 mt -63.19 -42.56 99.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.583 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.97 -44.04 86.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.612 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -63.18 -42.86 99.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.499 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.2 tttt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.55 179.956 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.7 mp . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.896 0.379 . . . . 0.0 110.81 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 28.8 t -56.49 -40.01 65.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.348 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 67.9 t -66.53 -46.35 86.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.402 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.3 mt -59.71 -37.16 69.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.288 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.0 tp -60.0 -52.98 63.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.686 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 74.5 t -58.59 -44.82 90.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.425 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -60.76 -40.68 93.38 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.54 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.1 mt -58.68 -42.8 89.36 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.425 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.69 -44.93 94.98 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.59 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.4 t -56.82 -45.63 83.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.027 0.442 . . . . 0.0 110.239 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.04 -35.74 82.15 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.477 -179.728 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.77 -42.5 81.64 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.207 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.2 mt -61.75 -37.48 84.42 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.371 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.9 mt -65.38 -46.69 79.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.437 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.66 -38.85 91.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.448 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 70.3 t60 -63.55 -47.86 79.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.69 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.89 -45.87 74.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.561 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.97 -42.03 88.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.589 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.13 -43.73 98.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.547 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.18 -47.37 75.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.596 -179.706 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.7 mmtp -68.46 -41.97 79.42 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.411 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -65.2 -20.06 66.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.709 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.7 mttp . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.585 -179.939 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.768 0.318 . . . . 0.0 110.589 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 74.4 t -70.33 -36.79 68.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.531 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 69.5 t -65.17 -38.01 81.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.424 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 13.8 mt -65.52 -48.5 82.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.536 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.5 tp -57.92 -49.94 75.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.569 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.5 t -62.01 -44.06 98.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.47 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.62 -40.73 79.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.562 -179.662 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.3 mp -62.52 -48.23 80.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.628 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -55.75 -40.4 72.49 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.589 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 50.6 t -59.28 -50.71 78.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.54 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.1 mt -61.55 -30.16 70.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.563 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.6 -52.27 53.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.69 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.7 mt -64.71 -39.25 93.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.616 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.4 -45.31 72.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.567 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.4 t -68.68 -45.54 71.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.555 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 17.1 t-80 -54.54 -41.76 70.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.557 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.31 -44.12 79.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.614 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 -57.08 -40.52 77.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.669 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.36 -41.99 72.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.529 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.14 -38.77 84.12 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.652 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 26.6 tttm -69.86 -56.44 7.09 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.75 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -65.26 -7.32 12.57 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.662 -179.67 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 25.0 tttp . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.446 -179.746 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.455 -0.183 0 CA-C-O 120.843 0.354 . . . . 0.0 110.585 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 92.8 t -63.73 -43.7 98.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.432 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 51.2 t -56.42 -50.94 70.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.596 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 16.0 mt -55.9 -42.43 71.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.378 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.99 -49.06 74.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.667 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 43.8 t -66.01 -42.41 91.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.606 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.19 -43.78 98.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.647 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.563 HD23 ' O ' ' A' ' 31' ' ' LEU . 1.1 tt -60.04 -45.01 94.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.53 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -57.44 -46.79 83.19 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.577 -179.776 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 67.2 t -54.73 -49.13 70.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.473 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.5 mt -56.4 -39.06 72.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.425 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.64 -52.63 56.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.619 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.0 tp -59.42 -37.33 77.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.467 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' A' ' 37' ' ' LEU . 1.1 mm? -64.28 -46.14 84.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.705 -179.745 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.9 t -58.01 -39.99 79.67 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.481 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -66.02 -43.13 88.53 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.673 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.17 -42.0 85.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.604 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 48.4 ttp180 -55.12 -45.64 75.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.531 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.89 -51.07 61.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.508 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.9 mp -47.52 -41.47 21.14 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.626 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.2 mttm -68.13 -53.38 25.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.602 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.46 -15.39 60.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.604 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 29.6 mmtt . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.543 -179.915 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.2 mtt . . . . . 0 N--CA 1.489 1.501 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -159.73 19.95 0.17 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.536 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.453 ' N ' ' CD ' ' A' ' 4' ' ' PRO . 2.8 mt-10 52.59 54.08 13.06 Favored Pre-proline 0 C--N 1.327 -0.4 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.639 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.453 ' CD ' ' N ' ' A' ' 3' ' ' GLU . 33.6 Cg_endo -66.14 -15.93 50.22 Favored 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.776 2.317 . . . . 0.0 112.085 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 8.0 p -64.76 -22.93 32.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.619 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.97 -3.69 5.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.596 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 71.0 mt -94.99 -22.04 18.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.632 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.4 mp 55.65 101.25 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.631 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.421 ' OG1' ' OG ' ' A' ' 11' ' ' SER . 0.5 OUTLIER -147.05 161.2 37.74 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.617 -179.834 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -69.84 -23.89 29.92 Favored 'Trans proline' 0 C--N 1.306 -1.667 0 C-N-CA 122.828 2.352 . . . . 0.0 112.113 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.421 ' OG ' ' OG1' ' A' ' 9' ' ' THR . 0.4 OUTLIER -59.23 -7.27 1.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.7 -179.861 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.509 ' O ' ' N ' ' A' ' 14' ' ' ASP . 26.8 m-20 -133.87 -45.27 0.8 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.453 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.04 85.33 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.641 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.509 ' N ' ' O ' ' A' ' 12' ' ' ASP . 0.6 OUTLIER -118.41 157.21 49.96 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.617 -179.753 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_endo -62.55 -32.54 79.79 Favored 'Trans proline' 0 C--N 1.304 -1.794 0 C-N-CA 122.805 2.337 . . . . 0.0 112.085 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -64.0 -50.35 68.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.821 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.405 HG21 HD13 ' A' ' 17' ' ' ILE . 10.0 mt -63.49 -35.85 74.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.504 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.6 mp -62.87 -50.6 70.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.548 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.7 m -61.68 -35.86 79.22 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.599 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.8 mt -61.42 -48.78 79.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.642 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.52 -42.03 95.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.514 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.1 tp -56.55 -49.37 75.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.675 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 97.3 mt -60.73 -41.02 86.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.503 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.1 tp -60.92 -45.97 92.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.467 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 24.3 t -59.98 -42.23 88.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.635 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 42.4 t -61.37 -41.63 90.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.608 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 22.4 mt -65.85 -41.66 90.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.483 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.9 mt -59.91 -37.0 78.19 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-O 121.052 0.453 . . . . 0.0 110.685 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.581 ' O ' HG23 ' A' ' 33' ' ' VAL . 55.9 t -73.18 -36.45 50.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.631 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.1 mp -66.97 -42.94 84.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.652 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.9 -44.37 97.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.587 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.92 -49.2 77.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.617 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 29' ' ' VAL . 97.7 t -55.99 -42.66 72.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.442 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.1 tp -65.74 -35.65 81.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.534 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.9 -46.81 80.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.557 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.2 mp -62.5 -36.73 83.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.563 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.21 -43.19 92.33 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.622 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.72 -45.68 92.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.709 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 66.2 m-70 -60.39 -49.02 79.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.525 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.2 mtt-85 -58.66 -42.82 89.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.512 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 44.4 mtt180 -61.21 -40.81 95.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.621 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.96 -47.17 86.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.559 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.6 tp -56.01 -39.35 71.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.594 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.3 tttm -70.65 -44.16 67.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.657 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -59.16 -38.48 79.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.51 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.0 mtpt -64.04 -51.85 62.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.58 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.3 tt -80.34 1.67 2.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.61 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 41.7 t-105 -150.0 70.86 9.41 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.496 -179.679 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo . . . . . 0 C--N 1.306 -1.686 0 C-N-CA 122.818 2.345 . . . . 0.0 112.147 -179.865 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.2 ttm . . . . . 0 N--CA 1.488 1.456 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -78.13 106.85 10.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.603 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.45 ' C ' ' H ' ' A' ' 5' ' ' VAL . 70.8 mt-10 -135.1 55.7 14.29 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.689 179.761 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.431 ' CD ' ' N ' ' A' ' 3' ' ' GLU . 42.0 Cg_endo -70.05 16.31 0.23 Allowed 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.776 2.317 . . . . 0.0 112.23 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.45 ' H ' ' C ' ' A' ' 3' ' ' GLU . 2.9 t -116.33 -14.27 10.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.634 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.6 m -97.64 66.8 1.99 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.575 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.99 161.31 6.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.6 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -81.14 169.93 16.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.499 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.08 165.19 13.2 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.553 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -43.77 -30.35 2.88 Favored 'Trans proline' 0 C--N 1.304 -1.786 0 C-N-CA 122.758 2.305 . . . . 0.0 112.061 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 57.9 m -43.48 -38.15 2.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.618 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -106.68 -44.51 4.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.628 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.4 mp -68.87 83.49 0.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.444 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -104.25 161.96 21.3 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.729 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -42.31 -33.74 2.67 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.66 2.24 . . . . 0.0 112.011 -179.552 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -54.25 -53.29 55.68 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.942 0.401 . . . . 0.0 110.801 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 45.9 mt -69.91 -33.71 56.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.624 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.74 -50.66 72.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.423 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.5 m -65.57 -46.37 79.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.574 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -49.97 -44.53 50.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.518 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.4 m -63.77 -44.01 94.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.523 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.514 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.6 OUTLIER -54.98 -50.61 68.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.409 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 75.6 mt -58.9 -37.71 68.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.464 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.27 -45.39 91.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.541 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.657 ' O ' HG23 ' A' ' 29' ' ' VAL . 92.5 t -65.29 -39.83 86.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.49 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 22' ' ' LEU . 77.7 t -56.7 -48.85 80.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.462 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 33.3 mt -60.05 -44.98 96.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.551 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.82 -44.86 82.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.519 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 25' ' ' VAL . 61.6 t -56.6 -47.13 82.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.471 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.5 mp -64.53 -34.52 78.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.59 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.01 -53.28 59.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.438 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.77 -47.03 88.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.486 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 29' ' ' VAL . 92.4 t -54.3 -46.11 68.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.463 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.487 ' O ' HD23 ' A' ' 34' ' ' LEU . 0.7 OUTLIER -65.91 -39.19 90.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.483 179.788 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.33 -44.83 95.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.545 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.0 mt -63.57 -42.64 98.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.498 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.67 -40.52 83.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.469 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.26 -48.39 80.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.616 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -59.56 -39.47 84.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.548 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.37 -46.09 88.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.63 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -61.6 -41.71 97.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.569 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.82 -48.9 72.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.498 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.8 tp -57.44 -34.54 69.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.575 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 20.3 tttp -70.1 -49.17 53.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.438 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -56.44 -26.32 53.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.652 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.75 -51.0 13.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.602 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.4 tp -83.39 3.52 2.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.558 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 27.2 t-105 -157.9 65.38 3.25 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.593 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo . . . . . 0 C--N 1.306 -1.697 0 C-N-CA 122.828 2.352 . . . . 0.0 112.096 179.972 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.8 ttm . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 51.19 -177.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.59 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.405 ' N ' ' CD ' ' A' ' 4' ' ' PRO . 1.3 mt-10 53.76 56.73 13.36 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.412 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.405 ' CD ' ' N ' ' A' ' 3' ' ' GLU . 39.2 Cg_endo -68.61 -10.62 29.58 Favored 'Trans proline' 0 C--N 1.306 -1.662 0 C-N-CA 122.799 2.333 . . . . 0.0 112.093 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 68.9 t -95.21 -20.83 5.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.598 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.86 -32.46 11.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.438 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 mp -102.1 -169.6 1.7 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.576 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.5 tp 64.98 80.94 0.22 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.459 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.01 161.53 63.15 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.631 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -68.53 -39.01 10.03 Favored 'Trans proline' 0 C--N 1.306 -1.696 0 C-N-CA 122.815 2.343 . . . . 0.0 112.098 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.06 1.36 3.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.702 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -126.07 -34.61 2.53 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.577 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.2 tp -56.98 91.94 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.475 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -122.89 158.02 58.45 Favored Pre-proline 0 C--O 1.232 0.184 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.544 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -58.49 -16.99 32.06 Favored 'Trans proline' 0 C--N 1.308 -1.581 0 C-N-CA 122.902 2.401 . . . . 0.0 112.201 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.3 mt -65.21 -34.52 78.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.549 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 96.2 mt -66.69 -44.87 89.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.377 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.0 mp -59.81 -41.48 91.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.467 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.1 p -64.66 -47.19 79.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.529 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.54 -41.25 80.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.575 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.13 -42.39 96.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.541 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.2 mp -59.71 -44.04 93.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.574 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 66.7 mt -59.47 -45.32 93.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.562 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.1 tp -63.35 -45.52 90.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.622 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 42.5 t -56.44 -44.36 80.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.5 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 67.1 t -60.87 -47.13 94.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.608 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 90.5 mt -58.95 -47.27 90.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.469 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.1 mt -51.65 -45.48 63.37 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.495 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.409 ' O ' HG23 ' A' ' 33' ' ' VAL . 56.7 t -60.85 -50.07 82.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.487 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.53 -40.28 86.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.624 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.6 tp -59.68 -47.8 84.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.556 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -59.56 -41.65 90.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.641 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 29' ' ' VAL . 72.9 t -54.95 -53.93 28.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.433 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.4 mp -57.19 -35.21 69.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.352 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.81 -46.79 77.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.549 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.9 mp -60.52 -39.02 86.32 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.54 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.3 mp -66.31 -41.79 89.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.632 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 88.2 p -61.59 -42.35 98.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.553 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 14.5 m170 -66.93 -36.95 83.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.518 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -65.45 -41.09 93.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.584 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.6 tpp180 -65.85 -36.47 83.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.602 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.44 -40.5 81.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.682 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.8 -36.64 84.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.638 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.0 tttp -67.56 -40.56 84.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.713 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -67.63 -37.83 83.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.563 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.2 tttm -66.22 -36.12 82.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.56 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 67.0 mt -83.01 -19.37 10.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.73 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 58.1 m95 -141.76 66.22 21.62 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.44 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo . . . . . 0 C--N 1.307 -1.608 0 C-N-CA 122.623 2.216 . . . . 0.0 112.143 -179.995 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 41.6 mtt . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.1 t -130.53 29.56 4.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.647 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -145.2 63.25 9.74 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.497 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -76.51 -46.63 0.16 Allowed 'Trans proline' 0 C--N 1.306 -1.663 0 C-N-CA 122.845 2.364 . . . . 0.0 112.274 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 42.5 t 40.23 82.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.452 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t 62.62 14.92 7.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.555 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.0 tp 61.49 35.17 17.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.508 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.454 ' O ' ' C ' ' A' ' 9' ' ' THR . 1.2 mt -88.27 123.03 32.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.543 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.454 ' C ' ' O ' ' A' ' 8' ' ' LEU . 4.3 p -30.88 95.65 0.08 OUTLIER Pre-proline 0 C--N 1.344 0.343 0 O-C-N 124.043 0.84 . . . . 0.0 110.466 -179.616 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.414 ' N ' ' O ' ' A' ' 8' ' ' LEU . 47.9 Cg_exo -53.03 -32.28 57.62 Favored 'Trans proline' 0 N--CA 1.494 1.544 0 C-N-CA 122.502 2.135 . . . . 0.0 112.31 -179.154 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 17.0 m -69.91 -20.98 63.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.61 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -93.16 -31.17 14.88 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.53 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -40.6 109.91 0.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.687 -179.626 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -121.68 158.68 53.53 Favored Pre-proline 0 N--CA 1.455 -0.177 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.702 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -64.5 -31.59 60.77 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.745 2.297 . . . . 0.0 112.161 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.84 -52.16 64.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.697 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 48.1 mt -66.67 -33.71 65.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.469 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.0 -45.5 93.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.505 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.4 p -63.13 -42.81 99.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.534 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.9 tp -57.93 -47.95 81.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.485 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.666 ' O ' HG23 ' A' ' 25' ' ' VAL . 48.6 m -59.09 -36.65 75.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.342 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.6 tp -59.51 -52.94 63.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.386 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 59.9 mt -59.18 -40.23 80.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.48 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.7 tp -59.78 -43.21 94.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.571 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.666 HG23 ' O ' ' A' ' 21' ' ' SER . 58.4 t -63.29 -42.21 95.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.54 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 72.0 t -57.92 -43.4 84.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.409 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 14.5 mt -69.05 -42.59 82.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.632 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.4 mp -58.64 -39.03 79.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.529 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 23.6 t -68.53 -40.43 82.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.566 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.4 mp -67.73 -39.46 84.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.525 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.2 mt -59.98 -43.23 95.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.404 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -63.96 -44.13 93.68 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.523 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 56.0 t -53.54 -47.88 59.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.396 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.5 mt -66.12 -38.4 88.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.356 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.27 -40.79 97.41 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.486 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.4 tp -66.82 -44.57 80.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.643 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.76 -41.66 82.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.587 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 75.0 m -62.81 -44.7 95.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.497 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -58.4 -43.56 88.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.561 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.3 tpp85 -63.62 -44.41 94.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.601 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 57.4 mtp180 -60.03 -43.79 95.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.549 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.65 -43.64 89.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.486 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.85 -45.92 90.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.514 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.9 tttm -57.94 -39.4 77.95 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.607 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -65.6 -41.05 93.23 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.638 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.4 tttm -65.71 -32.28 73.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.648 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.7 mm -73.33 -37.59 51.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.665 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 68.4 t90 -147.8 75.26 11.05 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.354 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo . . . . . 0 C--N 1.309 -1.51 0 C-N-CA 122.797 2.331 . . . . 0.0 112.266 -179.771 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.4 ' C ' ' HG ' ' A' ' 2' ' ' SER . 5.5 tpp . . . . . 0 N--CA 1.491 1.623 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.44 ' H ' ' HD3' ' A' ' 4' ' ' PRO . 1.2 m -163.74 -53.8 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.582 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.427 ' N ' ' CD ' ' A' ' 4' ' ' PRO . 27.9 mt-10 -143.54 54.6 3.15 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.457 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.44 ' HD3' ' H ' ' A' ' 2' ' ' SER . 38.7 Cg_endo -68.45 -52.75 0.42 Allowed 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 122.722 2.281 . . . . 0.0 112.138 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.0 m -61.53 -16.83 15.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.719 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.56 -34.62 13.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.641 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -79.58 -25.72 41.49 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.672 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -103.76 104.32 14.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.466 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 10.6 p -144.32 75.73 15.07 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.519 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_exo -61.64 -43.17 28.12 Favored 'Trans proline' 0 C--N 1.304 -1.779 0 C-N-CA 122.888 2.392 . . . . 0.0 112.032 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.405 ' O ' ' OD2' ' A' ' 14' ' ' ASP . 0.0 OUTLIER -54.52 -44.38 72.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.568 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.67 -41.0 63.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.538 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.1 tp -65.86 75.75 0.08 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.478 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.405 ' OD2' ' O ' ' A' ' 11' ' ' SER . 1.1 m-20 -124.01 96.45 42.41 Favored Pre-proline 0 CA--C 1.533 0.307 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.151 179.534 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -53.51 -21.24 18.07 Favored 'Trans proline' 0 N--CA 1.495 1.611 0 C-N-CA 122.495 2.13 . . . . 0.0 112.171 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.5 tp -76.1 -54.53 6.69 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.609 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 36.1 mt -65.02 -33.06 61.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.273 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.3 tp -62.82 -50.31 71.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.503 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -61.22 -42.9 99.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.725 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.1 tp -57.88 -42.04 83.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.556 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.17 -44.1 80.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.626 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.77 -45.84 78.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.544 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.7 mm -58.65 -48.25 86.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.462 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.0 tp -58.57 -43.04 89.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.522 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 41.9 t -56.9 -47.33 83.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.47 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 92.9 t -55.54 -46.79 79.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.455 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.4 mt -62.65 -41.91 94.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.444 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.19 -43.97 98.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.667 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 70.7 t -61.52 -44.19 98.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.494 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.5 tp -63.12 -43.51 98.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.502 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.57 -47.05 83.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.324 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -56.61 -45.02 81.71 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.526 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 41.8 t -56.05 -52.07 54.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.539 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.76 -32.44 71.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.441 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.88 -52.15 61.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.601 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.4 mp -59.57 -39.56 84.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.479 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.9 mp -58.44 -47.82 82.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.609 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.23 -40.2 95.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.454 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -59.23 -44.81 92.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.618 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.6 mtp85 -64.6 -43.09 94.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.566 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.2 ttt-85 -58.92 -42.8 90.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.668 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.73 -46.46 85.26 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.576 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.04 -38.35 82.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.573 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 26.2 mmtt -63.73 -46.81 83.7 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.542 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -61.82 -36.41 81.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.748 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -68.11 -38.53 82.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.645 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 52.8 mt -79.93 -37.5 17.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.623 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.431 ' O ' ' OXT' ' A' ' 49' ' ' PRO . 0.3 OUTLIER -135.13 75.17 60.72 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.539 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.431 ' OXT' ' O ' ' A' ' 48' ' ' TRP . 37.9 Cg_exo . . . . . 0 C--N 1.307 -1.639 0 C-N-CA 122.735 2.29 . . . . 0.0 112.166 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 tpt . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 p -87.46 -17.04 33.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.615 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -136.13 70.78 62.48 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.576 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -49.18 -23.46 6.67 Favored 'Trans proline' 0 C--N 1.306 -1.71 0 C-N-CA 122.822 2.348 . . . . 0.0 112.144 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.46 HG22 ' H ' ' A' ' 5' ' ' VAL . 0.1 OUTLIER -81.26 149.71 4.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.502 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.5 t -104.45 30.7 5.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.55 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.2 mp -83.88 92.36 7.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.53 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.7 mt -102.7 -49.62 3.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.63 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -133.94 75.84 66.05 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.501 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -51.6 -21.69 11.4 Favored 'Trans proline' 0 C--N 1.306 -1.665 0 C-N-CA 122.834 2.356 . . . . 0.0 112.12 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -46.15 -28.37 1.22 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.639 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.536 ' O ' ' N ' ' A' ' 14' ' ' ASP . 5.1 m-20 -139.58 -37.04 0.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.741 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.6 tp -54.66 82.26 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.558 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.536 ' N ' ' O ' ' A' ' 12' ' ' ASP . 0.1 OUTLIER -112.2 159.18 34.75 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.577 -179.88 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -67.8 -28.84 36.15 Favored 'Trans proline' 0 C--N 1.308 -1.583 0 C-N-CA 122.696 2.264 . . . . 0.0 112.093 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.9 mt -62.96 -46.13 89.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.55 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.412 HG21 HD13 ' A' ' 17' ' ' ILE . 10.6 mt -71.71 -34.95 53.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.54 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.4 tp -62.05 -45.1 95.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.58 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.6 m -64.27 -43.7 94.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.48 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.1 mp -56.43 -45.39 80.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.561 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.479 ' O ' HG23 ' A' ' 25' ' ' VAL . 3.3 m -62.39 -44.22 96.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.539 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.715 ' O ' HG23 ' A' ' 26' ' ' VAL . 1.7 mp -55.8 -44.72 78.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.487 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.8 mm -64.9 -47.07 89.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.629 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.7 mp -55.36 -40.76 71.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.418 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 21' ' ' SER . 98.2 t -66.03 -44.08 92.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.444 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.715 HG23 ' O ' ' A' ' 22' ' ' LEU . 67.1 t -56.08 -41.79 70.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.704 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 14.4 mt -68.16 -41.98 84.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.617 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.3 mp -62.5 -37.26 85.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.632 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 24.6 t -63.9 -45.03 98.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.602 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.53 -37.99 88.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.454 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.2 mt -56.13 -48.84 75.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.482 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.74 -43.13 99.46 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.502 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 43.4 t -58.91 -43.91 89.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.421 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.6 mt -67.8 -32.57 73.23 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.457 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.04 -38.3 75.8 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.587 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.1 mt -65.59 -38.51 89.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.462 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.75 -39.13 80.47 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.564 -179.802 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.26 -45.6 92.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.389 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.85 -43.29 96.57 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.509 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 30.3 mmm-85 -57.63 -44.24 85.41 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.514 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.9 tpp180 -63.46 -48.21 78.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.704 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -53.23 -47.77 68.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.547 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.8 mt -58.23 -43.22 87.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.597 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.0 tttt -62.29 -42.32 99.26 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.469 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 53.3 mm-40 -62.98 -38.43 91.11 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.532 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.42 -32.29 73.07 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.64 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 30.3 mt -77.53 -37.5 24.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.518 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 31.4 t90 -142.88 74.87 18.17 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.488 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo . . . . . 0 C--N 1.305 -1.742 0 C-N-CA 122.921 2.414 . . . . 0.0 112.033 179.963 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.3 t -66.76 -126.28 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.696 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.7 pm0 -139.92 59.56 13.53 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.73 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -74.07 -30.95 8.36 Favored 'Trans proline' 0 C--N 1.305 -1.711 0 C-N-CA 122.746 2.297 . . . . 0.0 112.071 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.451 ' H ' HG23 ' A' ' 5' ' ' VAL . 2.0 t -64.94 -26.83 41.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.533 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -92.39 -50.07 5.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.646 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.5 mp -59.13 146.54 38.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.589 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.6 mt -88.9 128.69 35.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.645 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.2 m -141.73 75.6 21.4 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.458 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -56.42 -20.26 32.23 Favored 'Trans proline' 0 C--N 1.303 -1.828 0 C-N-CA 122.812 2.341 . . . . 0.0 112.114 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.46 -19.23 61.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.515 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -104.13 -32.83 8.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.595 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 tp -74.16 86.81 1.9 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.688 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.9 158.99 32.53 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.539 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -66.31 -25.79 49.24 Favored 'Trans proline' 0 C--N 1.306 -1.672 0 C-N-CA 122.914 2.409 . . . . 0.0 112.115 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.6 mt -70.45 -52.17 24.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.649 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 66.7 mt -67.1 -29.12 45.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.549 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.4 tp -66.25 -51.67 55.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.496 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.0 m -55.93 -44.3 78.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.432 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.5 mt -61.24 -48.03 83.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.693 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.93 -41.94 83.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.615 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.7 mt -60.89 -42.38 97.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.582 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 67.8 mt -62.98 -46.24 96.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.407 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.4 tp -61.65 -38.41 87.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.607 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.458 ' O ' HG23 ' A' ' 29' ' ' VAL . 20.2 t -60.5 -43.58 94.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.669 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 82.9 t -64.38 -43.37 97.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.616 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 40.5 mt -62.75 -41.53 92.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.53 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.51 -48.32 82.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.586 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.468 ' O ' HG23 ' A' ' 33' ' ' VAL . 57.3 t -61.82 -42.2 93.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.558 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.9 tp -60.26 -45.79 92.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.628 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.6 mp -59.87 -39.23 84.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.642 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.46 -42.36 87.66 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.658 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 29' ' ' VAL . 73.5 t -57.1 -47.22 84.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.458 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.8 mt -65.69 -32.59 74.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.527 179.737 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.37 -42.08 84.02 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.51 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.402 HD23 ' O ' ' A' ' 36' ' ' LEU . 0.6 OUTLIER -63.12 -40.82 98.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.517 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.419 ' O ' HD23 ' A' ' 37' ' ' LEU . 0.7 OUTLIER -62.38 -41.61 98.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.539 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.59 -42.85 99.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.587 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.98 -48.84 79.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.617 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 13.7 mmt85 -59.34 -46.36 88.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.564 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -55.07 -42.49 72.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.579 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.53 -44.18 91.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.46 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.9 mp -55.27 -38.15 68.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.573 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' A' ' 48' ' ' TRP . 8.2 tptt -67.92 -50.59 55.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.671 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -59.86 -30.01 68.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.593 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 32.7 mttt -68.95 -47.18 66.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.558 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.2 tp -93.02 2.13 8.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.486 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.456 ' N ' ' O ' ' A' ' 44' ' ' LYS . 3.5 t90 -154.26 63.53 4.22 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.031 0.443 . . . . 0.0 110.562 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo . . . . . 0 C--N 1.305 -1.722 0 C-N-CA 122.824 2.35 . . . . 0.0 112.014 -179.851 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.0 ptp . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -104.78 127.42 52.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.5 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.47 ' N ' ' CD ' ' A' ' 4' ' ' PRO . 2.6 pt-20 -151.8 52.92 1.01 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.521 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.47 ' CD ' ' N ' ' A' ' 3' ' ' GLU . 37.5 Cg_endo -66.97 -62.81 0.06 OUTLIER 'Trans proline' 0 C--N 1.307 -1.642 0 C-N-CA 122.782 2.322 . . . . 0.0 112.144 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.441 HG23 ' N ' ' A' ' 6' ' ' SER . 26.2 m -42.25 -37.76 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.56 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.538 ' O ' ' N ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -73.47 -67.26 0.6 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.613 -179.84 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 6' ' ' SER . 2.0 mt -36.92 -29.3 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.639 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.506 ' N ' ' O ' ' A' ' 6' ' ' SER . 0.8 OUTLIER -81.46 -44.49 17.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.622 179.741 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.538 ' N ' ' O ' ' A' ' 6' ' ' SER . 96.1 m -29.09 92.19 0.05 OUTLIER Pre-proline 0 C--O 1.236 0.383 0 O-C-N 124.032 0.833 . . . . 0.0 110.313 -179.787 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.492 ' N ' ' O ' ' A' ' 8' ' ' LEU . 46.6 Cg_exo -52.87 -23.98 22.68 Favored 'Trans proline' 0 N--CA 1.495 1.596 0 C-N-CA 122.811 2.34 . . . . 0.0 112.122 -178.776 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.97 -25.43 61.86 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.683 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 14' ' ' ASP . 27.4 m-20 -89.53 -44.78 9.87 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.515 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.1 tp -60.77 81.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.55 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 12' ' ' ASP . 0.1 OUTLIER -95.37 157.09 36.86 Favored Pre-proline 0 N--CA 1.451 -0.404 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.538 -179.599 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_endo -65.53 -31.7 50.33 Favored 'Trans proline' 0 C--N 1.308 -1.581 0 C-N-CA 122.828 2.352 . . . . 0.0 112.145 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.0 mp -66.05 -44.63 84.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.627 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 8.7 mm -66.79 -41.55 88.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.598 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.7 tp -55.95 -47.29 77.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.514 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.4 m -63.48 -48.5 77.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.568 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.4 mp -52.05 -44.83 64.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.579 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 67.0 m -65.22 -45.68 83.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.586 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.709 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.5 OUTLIER -54.0 -41.52 68.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.656 -179.851 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 53.4 mt -63.54 -46.26 95.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.449 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.15 -36.78 71.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.532 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.457 ' O ' HG23 ' A' ' 29' ' ' VAL . 89.2 t -72.84 -37.56 55.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.615 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.709 HG23 ' O ' ' A' ' 22' ' ' LEU . 90.2 t -57.75 -51.14 73.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.591 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.6 mp -61.85 -50.89 78.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.506 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.5 mp -51.33 -47.4 62.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.517 -179.279 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 25' ' ' VAL . 71.6 t -62.64 -45.06 99.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.525 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.5 mt -61.58 -42.56 99.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.591 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.42 -39.25 86.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.396 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.32 -41.16 90.07 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.424 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 40.3 t -55.42 -44.2 74.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.353 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.6 mt -66.72 -37.23 84.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.376 179.563 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.02 -44.65 87.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.493 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.6 mp -66.0 -42.28 89.96 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.569 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.1 mt -58.73 -44.32 90.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.554 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.5 m -61.43 -46.39 90.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.578 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 16.6 t-80 -59.52 -39.97 85.61 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.553 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 19.0 mtp85 -67.4 -42.98 82.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.583 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.75 -42.51 97.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.647 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.4 -53.33 44.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.563 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.2 tp -47.42 -40.84 18.87 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.58 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 18.7 tttt -70.05 -47.11 63.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.476 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -68.11 -11.83 59.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.578 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 75.5 tttt -86.02 -45.05 11.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.52 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.9 tt -87.15 -28.19 5.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.654 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 29.1 t-105 -134.31 69.96 73.3 Favored Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.415 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo . . . . . 0 C--N 1.305 -1.752 0 C-N-CA 122.646 2.231 . . . . 0.0 112.14 -179.79 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 tmm? . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 m -135.06 -70.06 0.5 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.591 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.679 ' H ' ' CD ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER -97.48 156.33 36.28 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.595 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -64.21 -60.43 0.15 Allowed 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.872 2.381 . . . . 0.0 112.112 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.5 p -166.0 -19.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.578 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.6 m -177.48 90.66 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.524 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -146.44 115.15 6.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.574 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.0 mt -64.9 178.77 0.76 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.592 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.94 154.0 67.31 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.578 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -66.57 -32.16 39.66 Favored 'Trans proline' 0 C--N 1.306 -1.687 0 C-N-CA 122.851 2.367 . . . . 0.0 112.103 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.2 m -78.45 -16.6 57.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.533 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -91.39 -36.55 13.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.603 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.6 tp -83.08 74.76 9.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.547 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.466 ' OD1' ' N ' ' A' ' 14' ' ' ASP . 0.0 OUTLIER -95.27 164.72 18.46 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.579 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_exo -43.12 -42.7 9.77 Favored 'Trans proline' 0 C--N 1.306 -1.684 0 C-N-CA 122.813 2.342 . . . . 0.0 112.148 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.7 tp -59.95 -51.11 71.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.554 -179.242 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.53 ' N ' HD12 ' A' ' 17' ' ' ILE . 1.5 mp -58.41 -34.08 49.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.576 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.79 -40.51 79.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.559 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 55.4 m -64.12 -37.51 87.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.539 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.4 mt -64.99 -46.65 80.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.599 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.12 -43.42 74.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.544 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.583 ' O ' HG23 ' A' ' 26' ' ' VAL . 4.0 mt -63.77 -46.15 86.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.593 -179.778 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 88.3 mt -59.65 -42.85 89.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.553 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.7 tp -66.6 -38.76 87.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.581 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.514 ' O ' HG23 ' A' ' 29' ' ' VAL . 3.4 t -60.59 -45.8 96.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.658 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 22' ' ' LEU . 39.1 t -60.61 -39.68 82.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.576 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 20.3 mt -65.46 -41.95 92.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.543 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.77 -46.86 86.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.544 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 25' ' ' VAL . 35.5 t -59.55 -43.43 90.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.615 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.63 -47.3 84.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.537 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.3 tp -55.29 -41.2 71.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.597 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.93 -47.8 81.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.495 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 29' ' ' VAL . 90.0 t -56.36 -43.42 77.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.552 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 tp -64.78 -38.41 90.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.588 179.663 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.87 -45.46 93.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.658 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.5 mp -62.95 -45.73 91.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.538 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.7 mt -59.57 -41.31 89.93 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.599 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.1 p -59.79 -46.93 87.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.545 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 5.7 m80 -54.92 -47.74 74.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.652 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 21.2 ttp180 -63.8 -43.9 94.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.527 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 21.2 mtp85 -60.85 -40.34 92.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.525 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.51 -41.57 98.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.577 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.533 HD23 ' O ' ' A' ' 43' ' ' LEU . 1.1 tt -60.84 -48.2 82.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.62 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.477 ' O ' ' N ' ' A' ' 48' ' ' TRP . 0.8 OUTLIER -57.32 -51.97 67.22 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.63 179.804 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -50.67 -43.92 57.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.538 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.16 -53.03 62.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.612 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 7.9 mm -86.35 5.68 3.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.619 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.477 ' N ' ' O ' ' A' ' 44' ' ' LYS . 53.0 t-105 -150.82 61.53 4.66 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.534 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo . . . . . 0 C--N 1.305 -1.754 0 C-N-CA 122.805 2.337 . . . . 0.0 112.131 179.904 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.0 ptt? . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.2 p -74.72 136.24 41.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.43 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.581 ' N ' ' CD ' ' A' ' 4' ' ' PRO . 0.1 OUTLIER -87.92 -45.48 0.48 Allowed Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.079 179.382 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.581 ' CD ' ' N ' ' A' ' 3' ' ' GLU . 52.7 Cg_endo -81.74 148.49 15.8 Favored 'Trans proline' 0 C--N 1.307 -1.645 0 C-N-CA 122.804 2.336 . . . . 0.0 112.355 -179.334 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.465 HG23 ' C ' ' A' ' 4' ' ' PRO . 2.0 t 63.91 16.39 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.405 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -143.1 -35.34 0.4 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.531 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -51.65 108.95 0.31 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.68 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.4 mt -64.84 174.82 1.7 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.473 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.7 p -133.92 75.43 67.0 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.614 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -55.07 -25.87 47.38 Favored 'Trans proline' 0 C--N 1.305 -1.752 0 C-N-CA 122.845 2.363 . . . . 0.0 112.088 179.356 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 78.5 p -56.75 -9.32 0.75 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.558 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -145.13 -44.52 0.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.549 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.2 mp -64.27 85.02 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.692 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.22 157.9 33.21 Favored Pre-proline 0 C--O 1.236 0.351 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.507 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -64.59 -30.46 60.77 Favored 'Trans proline' 0 C--N 1.304 -1.776 0 C-N-CA 122.826 2.35 . . . . 0.0 112.083 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -71.54 -45.33 62.64 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.607 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.509 ' N ' HD12 ' A' ' 17' ' ' ILE . 1.6 mp -59.94 -40.05 81.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.398 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.6 -44.92 95.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.539 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 23.4 p -68.29 -38.76 81.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.481 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.4 mp -59.59 -41.2 89.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.529 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.543 ' O ' HG23 ' A' ' 25' ' ' VAL . 1.9 m -68.89 -45.91 69.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.613 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.405 ' O ' HD23 ' A' ' 22' ' ' LEU . 0.6 OUTLIER -54.2 -39.96 67.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.556 179.926 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 28.1 mt -70.98 -43.88 76.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.473 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.86 -41.87 88.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.506 -179.76 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 21' ' ' SER . 63.2 t -62.59 -52.27 61.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.421 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 41.5 t -51.18 -48.17 31.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.475 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 81.6 mt -60.46 -43.95 95.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.538 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.43 ' O ' ' OG1' ' A' ' 32' ' ' THR . 1.0 OUTLIER -56.57 -40.99 76.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.44 179.746 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 25' ' ' VAL . 48.7 t -62.13 -48.04 90.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.63 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.2 mp -57.36 -44.82 84.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.628 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.4 mp -59.96 -42.43 94.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.562 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.43 ' OG1' ' O ' ' A' ' 28' ' ' LEU . 0.1 OUTLIER -60.65 -49.49 77.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.566 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 86.5 t -56.68 -46.2 82.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.519 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.0 tp -62.07 -29.93 70.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.583 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.65 -54.43 10.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.584 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.2 mt -57.37 -37.74 73.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.588 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.472 ' O ' HD23 ' A' ' 37' ' ' LEU . 0.9 OUTLIER -61.79 -47.16 86.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.638 -179.865 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.7 t -62.89 -45.57 91.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.615 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -59.27 -43.59 92.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.517 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 16.6 mmt180 -61.28 -40.62 94.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.64 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.4 ttt-85 -65.27 -42.31 93.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.534 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.14 -49.56 77.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.446 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' A' ' 43' ' ' LEU . 1.6 mm? -58.81 -40.84 85.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.803 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 53.0 tttm -58.08 -50.21 74.26 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.611 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 14.2 mt-30 -65.05 -31.36 72.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.63 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -65.49 -40.73 93.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.651 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 88.2 mt -76.13 -40.57 37.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.517 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -69.57 157.98 88.13 Favored Pre-proline 0 N--CA 1.453 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.583 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo . . . . . 0 C--N 1.306 -1.705 0 C-N-CA 122.815 2.343 . . . . 0.0 112.085 179.443 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.1 mmt . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -175.85 91.32 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.625 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.444 ' N ' ' CD ' ' A' ' 4' ' ' PRO . 59.2 mt-10 -145.95 54.44 2.26 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.531 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.444 ' CD ' ' N ' ' A' ' 3' ' ' GLU . 35.4 Cg_endo -66.75 109.04 1.56 Allowed 'Trans proline' 0 C--N 1.304 -1.785 0 C-N-CA 122.945 2.43 . . . . 0.0 112.093 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 34.6 m -79.61 12.62 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.638 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 t -65.22 -8.84 19.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.593 -179.659 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.435 ' O ' ' O ' ' A' ' 8' ' ' LEU . 1.7 tp -67.43 -24.65 65.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.544 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.435 ' O ' ' O ' ' A' ' 7' ' ' LEU . 5.0 mp 51.22 175.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.625 179.181 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -144.35 77.02 14.36 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.54 179.479 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -52.82 -40.93 73.36 Favored 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 122.837 2.358 . . . . 0.0 112.125 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -46.42 -38.19 8.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.585 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -95.24 -39.98 9.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.561 -179.601 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.419 HD13 ' HA ' ' A' ' 13' ' ' LEU . 2.3 mm? -74.08 83.61 1.79 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.568 179.319 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.22 153.57 18.54 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.59 179.253 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_endo -62.18 -19.65 67.33 Favored 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.873 2.382 . . . . 0.0 112.112 -179.204 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.6 tp -64.47 -32.62 74.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.588 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 13.0 mm -64.48 -48.67 84.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.567 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.8 mp -59.05 -41.33 87.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.613 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.4 m -68.93 -37.01 78.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.551 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.9 tp -58.98 -48.27 82.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.561 179.731 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.78 -46.02 87.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.639 -179.733 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -55.68 -42.08 74.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.588 -179.633 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 57.8 mt -69.1 -41.06 81.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.608 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.5 mt -58.81 -46.38 87.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.543 179.674 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 95.4 t -60.11 -44.5 95.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.564 -179.263 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 16.2 t -62.14 -43.84 98.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.58 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.5 mm -56.28 -41.75 71.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.578 179.649 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.45 -49.18 70.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.504 179.795 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.454 ' O ' HG23 ' A' ' 33' ' ' VAL . 96.8 t -59.44 -40.06 80.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.513 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.2 tp -62.32 -45.69 92.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.544 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.0 tp -57.08 -41.93 79.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.542 -179.551 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.33 -43.47 97.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.613 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 29' ' ' VAL . 82.7 t -56.28 -46.19 81.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.523 179.752 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.0 mp -64.96 -38.99 92.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.562 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.32 -48.71 80.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.581 -179.467 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.8 mp -63.06 -45.14 93.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.599 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.7 tp -59.4 -43.13 93.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.66 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.6 -48.68 80.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.557 179.502 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 56.7 t60 -59.88 -42.37 93.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.522 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.5 tpt180 -61.19 -43.96 98.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.696 -179.189 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.7 mmm-85 -64.75 -40.34 95.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.585 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.09 -42.02 94.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.492 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.55 -34.71 78.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.607 -179.088 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' A' ' 48' ' ' TRP . 24.2 tttp -66.55 -49.77 65.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.565 179.738 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -54.75 -43.15 72.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.515 179.508 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.0 mmtm -58.7 -47.68 83.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.598 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.419 HD13 HG21 ' A' ' 47' ' ' ILE . 4.9 tt -90.11 5.25 5.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.544 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.464 ' N ' ' O ' ' A' ' 44' ' ' LYS . 7.4 t90 -152.14 73.64 7.68 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.559 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo . . . . . 0 C--N 1.304 -1.804 0 C-N-CA 122.916 2.411 . . . . 0.0 112.069 -179.508 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.615 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.3 t 47.14 29.96 1.27 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.426 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -137.74 70.29 51.4 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.436 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -51.58 129.49 29.83 Favored 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 122.859 2.372 . . . . 0.0 112.158 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 6.4 m -72.89 3.78 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.66 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.6 p -122.22 10.91 10.04 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.532 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -157.02 108.28 2.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.636 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -91.81 179.43 5.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.375 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -126.9 161.78 51.46 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.648 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_exo -41.54 -36.28 2.93 Favored 'Trans proline' 0 C--N 1.308 -1.572 0 C-N-CA 122.825 2.35 . . . . 0.0 112.264 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.5 t -45.36 -41.38 8.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.639 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -98.59 -40.66 8.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.678 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.5 tp -75.57 76.0 2.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.537 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.38 154.72 37.47 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.552 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -64.59 -29.26 60.99 Favored 'Trans proline' 0 C--N 1.308 -1.587 0 C-N-CA 122.791 2.327 . . . . 0.0 112.101 179.691 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 26.8 mt -65.81 -52.71 48.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.594 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.2 mm -61.54 -35.52 67.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.323 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -59.4 -45.84 90.37 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.66 -179.601 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 22.6 p -66.65 -41.72 87.8 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.466 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.1 -39.34 85.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.579 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.695 ' O ' HG23 ' A' ' 25' ' ' VAL . 2.7 m -62.64 -46.63 87.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.524 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.532 ' O ' HG23 ' A' ' 26' ' ' VAL . 3.6 mp -57.59 -43.2 84.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.553 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.4 mm -65.05 -51.6 64.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.576 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -54.62 -39.15 67.65 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.469 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.695 HG23 ' O ' ' A' ' 21' ' ' SER . 75.6 t -60.95 -44.7 98.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.637 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 22' ' ' LEU . 86.4 t -55.98 -43.04 73.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.554 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.426 ' N ' HD12 ' A' ' 27' ' ' ILE . 1.6 mp -70.43 -44.69 77.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.452 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.3 tt -54.69 -41.65 70.49 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.606 -179.676 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.532 ' O ' HG23 ' A' ' 33' ' ' VAL . 94.8 t -65.95 -51.24 63.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.579 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.49 -32.73 67.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.478 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.13 -45.98 82.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.632 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -65.07 -38.49 90.98 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.632 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 29' ' ' VAL . 59.4 t -59.54 -46.18 93.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.1 mp -64.36 -31.44 72.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.428 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.78 -44.61 63.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.69 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.94 -41.83 88.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.549 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.4 mp -62.21 -45.65 92.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.585 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 74.4 m -59.59 -45.32 92.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.441 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -59.23 -37.8 78.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.536 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.37 -53.64 49.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.529 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 64.8 mtp180 -56.23 -41.33 75.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.455 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.86 -47.73 82.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.676 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.83 -43.65 81.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.701 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 16.6 mttp -63.94 -44.2 93.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.558 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -60.46 -36.71 78.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.618 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 28.7 mttt -69.79 -39.99 76.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.634 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 67.2 mt -69.86 -39.37 77.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.654 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 22.4 t90 -133.31 71.91 75.97 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.66 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo . . . . . 0 C--N 1.306 -1.7 0 C-N-CA 122.931 2.42 . . . . 0.0 112.208 -179.956 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.0 ptm . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.6 t -165.95 -0.6 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.554 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -136.73 66.69 56.95 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.054 0.454 . . . . 0.0 110.592 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -76.21 -41.37 0.49 Allowed 'Trans proline' 0 C--N 1.308 -1.585 0 C-N-CA 122.774 2.316 . . . . 0.0 112.103 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 34.7 m -55.97 -14.81 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.562 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.43 ' OG ' ' N ' ' A' ' 7' ' ' LEU . 19.3 p -101.11 -56.28 2.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.486 -179.764 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.43 ' N ' ' OG ' ' A' ' 6' ' ' SER . 1.1 tp -39.68 132.96 1.58 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.611 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.0 mt -86.33 126.77 34.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.722 -179.704 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.426 ' O ' ' N ' ' A' ' 11' ' ' SER . 0.2 OUTLIER -75.63 164.26 61.9 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.662 -179.902 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.433 ' C ' ' N ' ' A' ' 12' ' ' ASP . 66.3 Cg_exo -41.53 -22.93 0.18 Allowed 'Trans proline' 0 C--N 1.309 -1.527 0 C-N-CA 122.752 2.301 . . . . 0.0 112.296 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 9' ' ' THR . 0.9 OUTLIER -50.11 -14.65 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.604 179.857 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.433 ' N ' ' C ' ' A' ' 10' ' ' PRO . 0.5 OUTLIER -148.13 -41.28 0.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.54 179.859 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.5 tp -61.75 95.85 0.06 Allowed 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.043 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -117.11 97.24 50.52 Favored Pre-proline 0 CA--C 1.532 0.26 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.295 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.535 ' O ' HG23 ' A' ' 19' ' ' THR . 52.5 Cg_exo -53.36 -18.02 10.07 Favored 'Trans proline' 0 N--CA 1.492 1.402 0 C-N-CA 122.857 2.371 . . . . 0.0 111.926 179.474 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.6 mp -75.08 -57.96 3.58 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.499 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 75.7 mt -58.79 -31.85 45.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.381 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -66.39 -50.02 64.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.709 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.535 HG23 ' O ' ' A' ' 15' ' ' PRO . 31.8 p -59.09 -39.41 82.12 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.509 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.46 HD23 ' O ' ' A' ' 20' ' ' LEU . 0.9 OUTLIER -62.08 -48.5 79.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.615 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.626 ' O ' HG23 ' A' ' 25' ' ' VAL . 2.8 m -62.98 -36.59 84.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.321 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.16 -48.85 79.71 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.617 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 31.2 mt -61.34 -37.4 77.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.541 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.6 mt -66.25 -40.82 90.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.564 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 21' ' ' SER . 99.1 t -67.3 -37.05 78.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.426 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 24.4 t -65.55 -41.18 90.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.543 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 86.8 mt -62.74 -44.62 99.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.633 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.498 ' O ' HD23 ' A' ' 28' ' ' LEU . 1.1 tt -57.14 -49.11 76.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.497 -179.823 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 25' ' ' VAL . 42.7 t -57.12 -42.53 79.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.346 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -59.47 -43.94 93.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.639 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.6 tp -62.65 -44.81 95.32 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.231 179.619 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -58.41 -46.54 86.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.609 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 53.7 t -55.66 -42.89 71.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.467 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.1 mp -64.26 -39.41 93.89 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.459 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.14 -41.0 95.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.564 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.5 mp -64.41 -41.1 96.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.526 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.7 -35.46 80.64 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.565 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.6 p -68.24 -47.48 67.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.669 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 4.1 m80 -58.25 -44.59 88.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.401 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.515 HH11 ' CG ' ' A' ' 40' ' ' ARG . 0.1 OUTLIER -58.25 -44.92 88.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.535 179.888 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.07 -49.46 77.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.577 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.82 -45.39 86.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.523 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.09 -45.25 89.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.612 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.2 tptt -55.92 -38.88 70.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.531 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -70.77 -48.49 54.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.581 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.7 tttm -58.8 -31.68 68.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.526 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 31.1 mt -70.43 -53.57 22.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.555 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 37.1 t-105 -134.74 72.84 68.36 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.467 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo . . . . . 0 C--N 1.305 -1.738 0 C-N-CA 122.734 2.29 . . . . 0.0 112.075 -179.943 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 ttt . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.02 16.18 2.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.554 179.786 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -145.64 65.72 11.48 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.624 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -46.47 109.92 0.24 Allowed 'Trans proline' 0 C--N 1.304 -1.797 0 C-N-CA 122.809 2.339 . . . . 0.0 112.192 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -86.4 22.07 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.605 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.435 ' O ' ' O ' ' A' ' 7' ' ' LEU . 25.6 p 55.38 26.16 8.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.544 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.435 ' O ' ' O ' ' A' ' 6' ' ' SER . 1.0 OUTLIER 57.27 156.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.568 -179.846 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.606 ' N ' HD12 ' A' ' 8' ' ' LEU . 9.8 mp -87.75 152.45 22.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.493 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.5 m -148.01 76.9 10.3 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.581 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -52.93 -17.85 8.36 Favored 'Trans proline' 0 C--N 1.304 -1.801 0 C-N-CA 122.836 2.357 . . . . 0.0 112.108 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.53 -16.96 11.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.541 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.475 ' O ' ' N ' ' A' ' 14' ' ' ASP . 60.2 m-20 -147.07 -38.54 0.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.605 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.401 HD13 ' HA ' ' A' ' 13' ' ' LEU . 2.8 mm? -46.02 92.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.576 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.475 ' N ' ' O ' ' A' ' 12' ' ' ASP . 0.2 OUTLIER -105.49 161.23 23.42 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.534 -179.756 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -43.28 -38.11 7.72 Favored 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 122.887 2.391 . . . . 0.0 112.096 179.458 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.17 -59.27 5.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.614 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 33.8 mt -58.97 -32.28 47.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.517 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.4 tp -62.97 -52.4 63.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.566 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 29.9 m -64.62 -37.73 88.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.565 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.57 -48.26 75.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.563 179.521 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.5 m -62.34 -42.41 99.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.619 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.543 ' O ' HG23 ' A' ' 26' ' ' VAL . 4.5 tp -58.21 -44.51 88.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.512 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 97.3 mt -67.86 -38.45 80.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.598 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.3 tp -60.39 -42.12 95.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.579 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 44.6 t -64.91 -49.11 81.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.591 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 22' ' ' LEU . 61.2 t -53.49 -45.46 58.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.53 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 77.6 mt -60.32 -49.38 84.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.563 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -51.27 -45.31 62.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.578 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.54 ' O ' HG23 ' A' ' 33' ' ' VAL . 58.5 t -61.95 -49.6 83.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.596 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.433 HD13 ' HA ' ' A' ' 30' ' ' LEU . 2.2 mm? -60.82 -34.73 74.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.552 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.95 -51.13 69.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.594 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -61.61 -37.57 84.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.514 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 29' ' ' VAL . 70.1 t -59.9 -43.71 92.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.574 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.33 -34.3 75.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.522 179.579 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.17 -49.12 63.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.553 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.4 mt -54.19 -46.61 72.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.565 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 mt -59.39 -48.85 80.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.564 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.4 m -60.39 -42.95 96.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.583 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -62.45 -42.82 99.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.527 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.3 ttm180 -61.41 -39.79 92.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.571 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 -61.89 -51.2 69.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.555 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.26 -38.64 74.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.507 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.33 -40.79 81.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.568 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.8 mtpm? -63.17 -45.32 92.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.555 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 49' ' ' PRO . 25.1 mt-30 -57.16 -48.04 79.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.626 179.786 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.1 tptt -59.48 -43.63 93.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.548 -179.676 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 36.8 mt -65.28 -46.47 90.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.536 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 31.6 t-105 -138.34 74.05 42.09 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.581 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.439 ' N ' ' O ' ' A' ' 45' ' ' GLN . 50.9 Cg_exo . . . . . 0 C--N 1.305 -1.729 0 C-N-CA 122.843 2.362 . . . . 0.0 112.206 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.1 mmt . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 t -154.48 4.23 0.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.557 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -142.65 61.92 11.9 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.627 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -75.47 22.81 0.44 Allowed 'Trans proline' 0 C--N 1.306 -1.679 0 C-N-CA 122.76 2.307 . . . . 0.0 112.089 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 10.4 t 45.84 78.57 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.514 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 m -139.18 14.44 2.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.568 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.8 mt -52.12 177.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.602 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.8 mt -70.43 86.22 0.61 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.724 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 16.4 m -151.3 75.47 7.99 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.454 179.614 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -55.02 -34.58 87.53 Favored 'Trans proline' 0 C--N 1.307 -1.65 0 C-N-CA 122.8 2.334 . . . . 0.0 112.095 179.582 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.5 m -59.23 -27.44 65.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.685 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.28 -43.79 11.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.569 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.3 mp -60.49 94.6 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.303 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -125.15 96.3 39.9 Favored Pre-proline 0 CA--C 1.534 0.345 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.414 179.556 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -55.87 -16.17 15.14 Favored 'Trans proline' 0 N--CA 1.496 1.647 0 C-N-CA 122.654 2.236 . . . . 0.0 112.11 179.085 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.0 mp -54.36 -39.9 67.57 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.662 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.415 HG21 HD13 ' A' ' 17' ' ' ILE . 15.8 mt -57.54 -52.05 62.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.588 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.46 -37.53 83.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.474 -179.757 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.8 m -65.37 -46.6 79.5 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.405 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.3 mt -63.59 -44.7 93.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.709 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.07 -45.71 86.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.346 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.506 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.6 OUTLIER -55.2 -45.43 75.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.62 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.6 mm -61.52 -46.98 95.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.487 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.01 -40.93 86.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.427 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 48.9 t -65.82 -47.62 85.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.568 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 22' ' ' LEU . 77.5 t -56.75 -44.89 82.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.434 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 80.1 mt -60.86 -48.36 89.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.544 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.9 tp -53.72 -45.65 70.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.604 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 69.2 t -63.54 -44.54 98.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.579 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.9 tp -61.48 -42.15 98.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.47 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.07 -43.12 99.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.423 -179.754 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -57.94 -46.34 85.22 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.535 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 80.2 t -56.75 -41.73 75.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.315 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.3 mp -67.91 -38.47 82.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.573 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.86 -40.86 95.82 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.643 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.69 -46.73 81.14 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.518 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.86 -41.48 74.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.485 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.31 -39.83 85.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.476 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 57.6 t-80 -63.19 -36.68 84.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.646 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 63.6 ttt-85 -66.79 -48.78 67.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.554 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 10.0 mmm-85 -59.49 -32.4 70.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.545 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.86 -43.07 66.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.559 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.4 tp -55.4 -43.32 75.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.449 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 48' ' ' TRP . 2.0 mmmm -67.86 -48.45 66.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.423 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -61.03 -21.86 64.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.525 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.1 ttpt -81.07 -47.23 13.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.516 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.1 tp -83.43 -14.76 11.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.645 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.426 ' N ' ' O ' ' A' ' 44' ' ' LYS . 31.2 t90 -135.65 70.67 65.71 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.527 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo . . . . . 0 C--N 1.306 -1.693 0 C-N-CA 122.797 2.332 . . . . 0.0 112.114 179.973 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.402 ' O ' ' SD ' ' A' ' 1' ' ' MET . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -106.06 134.53 49.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.632 -179.772 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 53.5 59.9 12.36 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.065 0.459 . . . . 0.0 110.653 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -74.44 -29.79 8.89 Favored 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 122.665 2.243 . . . . 0.0 111.959 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 8.4 p -61.54 -28.93 45.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.539 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -96.42 -28.46 14.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.697 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.0 tp -73.47 -45.19 55.61 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.629 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 56.44 97.93 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.856 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -136.2 160.16 68.09 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.607 -179.639 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -70.51 -28.42 21.64 Favored 'Trans proline' 0 C--N 1.307 -1.63 0 C-N-CA 122.735 2.29 . . . . 0.0 112.038 179.726 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.3 m -75.03 0.66 15.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.802 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -115.55 -39.22 3.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.518 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -47.47 98.61 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.823 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.432 ' H ' HD12 ' A' ' 17' ' ' ILE . 0.2 OUTLIER -116.02 161.33 31.49 Favored Pre-proline 0 N--CA 1.454 -0.24 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.855 -179.77 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_exo -42.27 -37.4 4.87 Favored 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.782 2.321 . . . . 0.0 112.305 179.336 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' A' ' 16' ' ' LEU . 3.2 mm? -61.09 -56.34 22.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.769 -179.796 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.432 HD12 ' H ' ' A' ' 14' ' ' ASP . 75.0 mt -57.78 -28.93 33.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.546 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.82 -51.94 42.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.482 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 44.1 p -60.21 -36.79 78.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.468 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.1 tp -62.14 -48.64 79.22 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.768 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.556 ' O ' HG23 ' A' ' 25' ' ' VAL . 0.5 OUTLIER -63.87 -41.54 97.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.471 179.919 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.2 mp -60.92 -45.97 92.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.626 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.4 mm -61.9 -43.54 97.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.545 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.44 -45.52 88.35 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.766 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 21' ' ' SER . 99.3 t -59.91 -46.55 93.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.592 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 57.7 t -58.9 -38.98 76.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.571 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.7 mm -71.67 -34.27 51.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.62 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.14 -52.64 64.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.583 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 28.2 m -66.04 -33.73 65.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.507 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.8 tp -64.77 -46.09 83.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.331 -179.702 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.8 mt -60.45 -48.35 82.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.609 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -55.87 -48.62 75.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.588 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 43.0 t -54.63 -38.99 44.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.419 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -68.6 -40.25 80.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.698 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.42 -37.68 88.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.59 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.8 -45.95 87.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.472 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.7 mt -61.43 -45.65 93.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.74 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 41.7 t -58.0 -48.35 80.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.644 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -59.9 -51.2 70.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.554 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 41.6 ttt180 -52.91 -37.83 61.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.511 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 18.5 ttm-85 -63.69 -52.3 61.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.598 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.31 -33.24 73.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.52 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.4 mp -62.73 -43.73 98.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.619 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.7 ttpt -65.84 -38.69 89.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.579 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -64.95 -35.75 82.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.57 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.7 ttmm -68.43 -38.29 81.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.594 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.405 ' O ' HG22 ' A' ' 47' ' ' ILE . 72.2 mt -83.89 -15.42 11.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.625 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 28.9 m95 -149.25 67.96 9.19 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.638 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo . . . . . 0 C--N 1.306 -1.71 0 C-N-CA 122.799 2.333 . . . . 0.0 112.178 -179.885 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.3 ttt . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.408 ' H ' ' H ' ' A' ' 3' ' ' GLU . 8.4 m -159.71 -12.55 0.06 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.606 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.408 ' H ' ' H ' ' A' ' 2' ' ' SER . 68.1 mt-10 -137.15 64.81 49.08 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.537 179.713 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -77.86 122.58 5.91 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.736 2.291 . . . . 0.0 112.12 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 78.4 t -89.85 -56.72 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.593 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 p -53.97 -76.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.508 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.5 tp 47.1 20.24 0.12 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.528 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.2 mt -135.03 118.46 16.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.535 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.9 p -139.05 73.89 37.72 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.569 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -72.77 -40.48 1.94 Allowed 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.806 2.337 . . . . 0.0 112.193 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.3 t -50.91 -27.07 6.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.57 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.31 -44.81 6.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.619 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -65.14 90.06 0.09 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.594 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -119.21 94.84 48.81 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.514 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -51.17 -15.36 2.07 Favored 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 122.802 2.334 . . . . 0.0 112.085 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.96 -37.05 71.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.557 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.427 HG23 ' N ' ' A' ' 18' ' ' LEU . 18.6 tt -69.91 -37.6 73.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.588 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.427 ' N ' HG23 ' A' ' 17' ' ' ILE . 0.9 OUTLIER -62.0 -42.2 98.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.588 179.83 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.0 m -66.64 -41.83 87.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.533 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.401 HD13 ' HA ' ' A' ' 20' ' ' LEU . 1.1 mm? -57.18 -48.34 78.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.595 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.646 ' O ' HG23 ' A' ' 25' ' ' VAL . 0.4 OUTLIER -59.72 -42.28 92.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.556 -179.92 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.617 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.5 OUTLIER -62.31 -45.52 92.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.595 -179.879 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 54.6 mt -62.72 -44.71 99.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.494 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.4 tp -56.43 -47.61 78.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.567 179.627 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.646 HG23 ' O ' ' A' ' 21' ' ' SER . 47.5 t -61.31 -37.49 77.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.535 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 22' ' ' LEU . 86.5 t -64.82 -39.0 84.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.588 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 81.7 mt -63.87 -48.3 86.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.547 179.643 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.52 -42.81 79.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.495 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.672 ' O ' HG23 ' A' ' 33' ' ' VAL . 38.9 t -63.66 -45.23 98.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.584 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.7 tp -65.53 -37.03 85.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.612 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.1 tp -59.79 -44.14 94.09 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.55 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.95 -37.03 83.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.51 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.672 HG23 ' O ' ' A' ' 29' ' ' VAL . 97.1 t -61.36 -45.89 97.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.58 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.0 mt -65.8 -32.24 73.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.62 179.568 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.51 -43.02 81.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.55 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.25 -36.83 84.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.619 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.1 tp -61.05 -43.82 98.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.558 -179.703 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.0 m -68.4 -43.92 76.22 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.471 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -54.51 -45.13 73.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.529 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 27.0 ttp180 -66.4 -46.13 77.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.515 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.477 HH11 ' CG ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -55.67 -43.76 76.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.595 179.905 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.71 -42.93 98.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.642 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.8 mt -63.19 -42.56 99.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.583 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.97 -44.04 86.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.612 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -63.18 -42.86 99.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.499 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.2 tttt -64.54 -36.6 84.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.55 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.41 ' O ' HG22 ' A' ' 47' ' ' ILE . 69.0 mt -81.75 -15.08 12.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.581 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 29.2 t90 -166.31 76.61 1.16 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.544 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo . . . . . 0 C--N 1.305 -1.756 0 C-N-CA 122.83 2.354 . . . . 0.0 112.165 -179.997 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.7 mtt . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.1 p -102.11 113.96 27.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.424 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -104.71 155.06 38.04 Favored Pre-proline 0 C--N 1.331 -0.2 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.804 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -67.35 -53.4 0.48 Allowed 'Trans proline' 0 N--CA 1.494 1.53 0 C-N-CA 122.688 2.258 . . . . 0.0 112.32 179.738 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.3 p -57.09 -33.17 42.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.467 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.4 t -73.92 -44.05 56.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.348 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 7' ' ' LEU . 0.8 OUTLIER -55.6 -42.48 74.89 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.764 -179.395 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 29.6 mt -110.09 104.56 13.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.433 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.36 164.27 20.59 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.427 -179.769 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -43.31 -34.81 4.91 Favored 'Trans proline' 0 C--N 1.311 -1.406 0 C-N-CA 122.673 2.249 . . . . 0.0 112.36 179.77 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.0 p -74.64 -33.49 62.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.584 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.13 -35.08 73.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.677 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.4 mp -60.22 98.63 0.06 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.62 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -100.96 159.77 28.58 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.613 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -62.71 -17.67 60.17 Favored 'Trans proline' 0 N--CA 1.494 1.518 0 C-N-CA 122.885 2.39 . . . . 0.0 112.055 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.1 mp -55.78 -34.56 65.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.511 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.42 ' CG2' ' N ' ' A' ' 18' ' ' LEU . 3.2 tp -70.1 -37.91 73.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.633 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.444 ' O ' HD23 ' A' ' 18' ' ' LEU . 0.8 OUTLIER -59.69 -44.32 93.69 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.492 -179.57 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 75.8 p -64.23 -47.65 78.84 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.5 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.7 tt -53.74 -42.21 67.9 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.48 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.7 m -65.78 -40.24 91.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.579 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.47 -49.91 73.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.023 0.44 . . . . 0.0 110.554 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.6 mp -61.47 -40.81 87.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.331 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.7 mp -60.72 -45.93 92.36 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.81 -179.578 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 28.8 t -56.49 -40.01 65.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.348 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 67.9 t -66.53 -46.35 86.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.402 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.3 mt -59.71 -37.16 69.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.288 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.0 tp -60.0 -52.98 63.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.686 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 74.5 t -58.59 -44.82 90.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.425 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -60.76 -40.68 93.38 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.54 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.1 mt -58.68 -42.8 89.36 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.425 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.69 -44.93 94.98 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.59 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.4 t -56.82 -45.63 83.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.027 0.442 . . . . 0.0 110.239 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.04 -35.74 82.15 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.477 -179.728 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.77 -42.5 81.64 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.207 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.2 mt -61.75 -37.48 84.42 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.371 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.9 mt -65.38 -46.69 79.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.437 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.66 -38.85 91.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.448 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 70.3 t60 -63.55 -47.86 79.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.69 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.89 -45.87 74.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.561 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.97 -42.03 88.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.589 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.13 -43.73 98.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.547 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.18 -47.37 75.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.596 -179.706 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.7 mmtp -68.46 -41.97 79.42 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.411 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -65.2 -20.06 66.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.709 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.7 mttp -83.51 -39.39 20.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.585 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.4 tp -91.4 -9.28 10.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.569 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.542 ' O ' ' CG ' ' A' ' 48' ' ' TRP . 23.8 t90 -147.68 65.07 8.94 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.139 0.495 . . . . 0.0 110.46 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.304 -1.776 0 C-N-CA 122.525 2.15 . . . . 0.0 112.086 -179.969 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.5 mtt . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.3 p -176.5 -102.56 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.65 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -158.96 61.5 1.9 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.483 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -74.42 86.46 1.33 Allowed 'Trans proline' 0 C--N 1.307 -1.627 0 C-N-CA 122.839 2.359 . . . . 0.0 112.223 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.421 ' H ' HG22 ' A' ' 5' ' ' VAL . 2.4 m -63.78 177.15 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.578 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.66 -27.23 66.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.712 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.9 tp -50.69 -28.07 8.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.338 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 35.5 mt -97.9 174.84 6.38 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.472 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.8 m -151.2 78.44 7.15 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.497 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -54.39 -22.43 27.02 Favored 'Trans proline' 0 C--N 1.306 -1.674 0 C-N-CA 122.78 2.32 . . . . 0.0 112.12 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.73 -24.17 66.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.659 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -106.21 -45.99 4.17 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.546 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.3 mp -64.04 95.7 0.13 Allowed 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.619 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.31 163.96 34.7 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.913 -179.671 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -47.2 -43.38 25.83 Favored 'Trans proline' 0 C--N 1.311 -1.41 0 C-N-CA 122.511 2.14 . . . . 0.0 112.301 179.489 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.5 mp -58.26 -59.59 5.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.562 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 64.4 mt -57.06 -40.8 75.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.451 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.4 tp -59.64 -47.41 85.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.582 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 99.0 m -64.93 -41.89 95.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.765 -179.595 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.6 tp -63.35 -38.96 93.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.625 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.6 m -63.22 -44.42 95.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.434 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.686 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.9 OUTLIER -58.41 -44.22 88.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.58 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 86.7 mt -63.33 -43.75 98.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.557 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.4 -41.76 97.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.589 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 74.4 t -70.33 -36.79 68.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.531 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.686 HG23 ' O ' ' A' ' 22' ' ' LEU . 69.5 t -65.17 -38.01 81.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.424 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 13.8 mt -65.52 -48.5 82.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.536 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.5 tp -57.92 -49.94 75.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.569 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.5 t -62.01 -44.06 98.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.47 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.62 -40.73 79.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.562 -179.662 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.3 mp -62.52 -48.23 80.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.628 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -55.75 -40.4 72.49 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.589 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 50.6 t -59.28 -50.71 78.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.54 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.1 mt -61.55 -30.16 70.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.563 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.6 -52.27 53.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.69 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.7 mt -64.71 -39.25 93.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.616 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.4 -45.31 72.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.567 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.4 t -68.68 -45.54 71.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.555 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 17.1 t-80 -54.54 -41.76 70.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.557 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.31 -44.12 79.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.614 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 -57.08 -40.52 77.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.669 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.36 -41.99 72.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.529 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.434 ' O ' HG22 ' A' ' 47' ' ' ILE . 0.5 OUTLIER -60.14 -38.77 84.12 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.652 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 26.6 tttm -69.86 -56.44 7.09 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.75 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -65.26 -7.32 12.57 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.662 -179.67 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 25.0 tttp -91.98 -46.55 7.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.446 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.434 HG22 ' O ' ' A' ' 43' ' ' LEU . 12.0 tt -81.25 -25.94 10.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.551 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' TRP . . . . . 0.496 ' CD1' ' O ' ' A' ' 48' ' ' TRP . 74.5 t-105 -137.93 66.49 47.58 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.608 -179.761 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_exo . . . . . 0 C--N 1.304 -1.779 0 C-N-CA 122.841 2.36 . . . . 0.0 112.059 179.871 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.5 ttt . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.3 t 42.41 92.69 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.526 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -135.63 62.04 46.33 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.5 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -74.6 -36.29 3.01 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.672 2.248 . . . . 0.0 112.18 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.9 m -62.2 -10.18 4.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.648 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.1 t -115.93 -37.67 3.83 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.589 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.2 mp -98.84 157.69 16.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.8 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.5 ' N ' HD12 ' A' ' 8' ' ' LEU . 10.0 mp -77.85 103.76 7.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.498 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.1 p -137.05 75.64 47.26 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.397 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -50.3 -23.58 10.29 Favored 'Trans proline' 0 C--N 1.306 -1.673 0 C-N-CA 122.807 2.338 . . . . 0.0 112.125 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 28.9 t -69.07 -16.24 63.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.627 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.99 -37.35 6.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.626 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.6 tp -83.0 84.13 7.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.646 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -105.09 165.01 13.95 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.805 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_exo -42.82 -41.3 8.6 Favored 'Trans proline' 0 C--N 1.309 -1.508 0 C-N-CA 122.647 2.231 . . . . 0.0 112.199 179.639 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.2 mt -60.58 -49.58 76.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.488 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.8 mm -59.87 -41.21 85.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.468 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.51 -48.66 80.79 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.443 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 81.7 m -55.51 -43.55 75.8 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.56 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.4 tp -60.68 -43.52 97.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.518 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.558 ' O ' HG23 ' A' ' 25' ' ' VAL . 3.0 m -67.48 -38.41 84.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.616 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.4 tp -60.45 -46.68 89.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.467 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.9 mm -59.55 -43.91 91.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.452 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.27 -43.33 99.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.585 -179.62 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 21' ' ' SER . 92.8 t -63.73 -43.7 98.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.432 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 51.2 t -56.42 -50.94 70.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.596 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 16.0 mt -55.9 -42.43 71.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.378 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.99 -49.06 74.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.667 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 43.8 t -66.01 -42.41 91.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.606 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.19 -43.78 98.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.647 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.563 HD23 ' O ' ' A' ' 31' ' ' LEU . 1.1 tt -60.04 -45.01 94.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.53 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -57.44 -46.79 83.19 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.577 -179.776 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 67.2 t -54.73 -49.13 70.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.473 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.5 mt -56.4 -39.06 72.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.425 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.64 -52.63 56.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.619 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.0 tp -59.42 -37.33 77.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.467 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' A' ' 37' ' ' LEU . 1.1 mm? -64.28 -46.14 84.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.705 -179.745 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.9 t -58.01 -39.99 79.67 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.481 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -66.02 -43.13 88.53 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.673 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.17 -42.0 85.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.604 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 48.4 ttp180 -55.12 -45.64 75.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.531 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.89 -51.07 61.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.508 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.9 mp -47.52 -41.47 21.14 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.626 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.2 mttm -68.13 -53.38 25.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.602 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.46 -15.39 60.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.604 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 29.6 mmtt -78.22 -46.21 21.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.543 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 22.5 pt -80.9 -20.31 11.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.603 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 24.7 m95 -152.04 76.33 7.21 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.534 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo . . . . . 0 C--N 1.303 -1.855 0 C-N-CA 122.843 2.362 . . . . 0.0 111.971 -179.91 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.1 tp . . . . . 0 C--O 1.233 0.217 0 CA-C-O 120.847 0.356 . . . . 0.0 110.467 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 24.3 t -59.98 -42.23 88.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.635 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 42.4 t -61.37 -41.63 90.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.608 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 22.4 mt -65.85 -41.66 90.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.483 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.9 mt -59.91 -37.0 78.19 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-O 121.052 0.453 . . . . 0.0 110.685 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.581 ' O ' HG23 ' A' ' 33' ' ' VAL . 55.9 t -73.18 -36.45 50.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.631 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.1 mp -66.97 -42.94 84.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.652 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.9 -44.37 97.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.587 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.92 -49.2 77.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.617 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 29' ' ' VAL . 97.7 t -55.99 -42.66 72.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.442 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.1 tp -65.74 -35.65 81.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.534 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.9 -46.81 80.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.557 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.2 mp -62.5 -36.73 83.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.563 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.21 -43.19 92.33 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.622 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.72 -45.68 92.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.709 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 66.2 m-70 -60.39 -49.02 79.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.525 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.2 mtt-85 -58.66 -42.82 89.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.512 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 44.4 mtt180 -61.21 -40.81 95.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.621 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.96 -47.17 86.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.559 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.6 tp -56.01 -39.35 71.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.594 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.3 tttm -70.65 -44.16 67.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.657 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -59.16 -38.48 79.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.51 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.0 mtpt . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.58 -179.996 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.813 0.339 . . . . 0.0 110.541 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.657 ' O ' HG23 ' A' ' 29' ' ' VAL . 92.5 t -65.29 -39.83 86.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.49 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 77.7 t -56.7 -48.85 80.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.462 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 33.3 mt -60.05 -44.98 96.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.551 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.82 -44.86 82.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.519 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 25' ' ' VAL . 61.6 t -56.6 -47.13 82.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.471 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.5 mp -64.53 -34.52 78.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.59 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.01 -53.28 59.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.438 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.77 -47.03 88.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.486 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 29' ' ' VAL . 92.4 t -54.3 -46.11 68.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.463 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.487 HD23 ' O ' ' A' ' 34' ' ' LEU . 0.7 OUTLIER -65.91 -39.19 90.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.483 179.788 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.33 -44.83 95.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.545 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.0 mt -63.57 -42.64 98.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.498 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.67 -40.52 83.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.469 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.26 -48.39 80.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.616 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -59.56 -39.47 84.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.548 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.37 -46.09 88.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.63 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -61.6 -41.71 97.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.569 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.82 -48.9 72.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.498 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.8 tp -57.44 -34.54 69.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.575 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 20.3 tttp -70.1 -49.17 53.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.438 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -56.44 -26.32 53.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.652 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.602 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.1 tp . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.792 0.33 . . . . 0.0 110.622 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 42.5 t -56.44 -44.36 80.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.5 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 67.1 t -60.87 -47.13 94.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.608 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 90.5 mt -58.95 -47.27 90.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.469 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.1 mt -51.65 -45.48 63.37 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.495 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.409 ' O ' HG23 ' A' ' 33' ' ' VAL . 56.7 t -60.85 -50.07 82.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.487 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.53 -40.28 86.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.624 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.6 tp -59.68 -47.8 84.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.556 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -59.56 -41.65 90.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.641 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 29' ' ' VAL . 72.9 t -54.95 -53.93 28.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.433 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.4 mp -57.19 -35.21 69.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.352 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.81 -46.79 77.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.549 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.9 mp -60.52 -39.02 86.32 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.54 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.3 mp -66.31 -41.79 89.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.632 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 88.2 p -61.59 -42.35 98.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.553 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 14.5 m170 -66.93 -36.95 83.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.518 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -65.45 -41.09 93.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.584 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.6 tpp180 -65.85 -36.47 83.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.602 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.44 -40.5 81.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.682 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.8 -36.64 84.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.638 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.0 tttp -67.56 -40.56 84.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.713 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -67.63 -37.83 83.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.563 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.2 tttm . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.56 -179.925 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.7 tp . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.783 0.325 . . . . 0.0 110.571 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 58.4 t -63.29 -42.21 95.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.54 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 72.0 t -57.92 -43.4 84.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.409 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 14.5 mt -69.05 -42.59 82.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.632 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.4 mp -58.64 -39.03 79.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.529 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 23.6 t -68.53 -40.43 82.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.566 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.4 mp -67.73 -39.46 84.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.525 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.2 mt -59.98 -43.23 95.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.404 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -63.96 -44.13 93.68 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.523 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 56.0 t -53.54 -47.88 59.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.396 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.5 mt -66.12 -38.4 88.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.356 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.27 -40.79 97.41 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.486 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.4 tp -66.82 -44.57 80.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.643 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.76 -41.66 82.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.587 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 75.0 m -62.81 -44.7 95.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.497 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -58.4 -43.56 88.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.561 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.3 tpp85 -63.62 -44.41 94.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.601 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 57.4 mtp180 -60.03 -43.79 95.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.549 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.65 -43.64 89.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.486 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.85 -45.92 90.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.514 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.9 tttm -57.94 -39.4 77.95 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.607 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -65.6 -41.05 93.23 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.638 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.4 tttm . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.648 -179.975 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.0 tp . . . . . 0 N--CA 1.456 -0.138 0 CA-C-O 120.858 0.361 . . . . 0.0 110.522 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 41.9 t -56.9 -47.33 83.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.47 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 92.9 t -55.54 -46.79 79.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.455 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.4 mt -62.65 -41.91 94.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.444 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.19 -43.97 98.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.667 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 70.7 t -61.52 -44.19 98.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.494 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.5 tp -63.12 -43.51 98.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.502 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.57 -47.05 83.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.324 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -56.61 -45.02 81.71 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.526 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 41.8 t -56.05 -52.07 54.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.539 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.76 -32.44 71.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.441 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.88 -52.15 61.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.601 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.4 mp -59.57 -39.56 84.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.479 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.9 mp -58.44 -47.82 82.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.609 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.23 -40.2 95.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.454 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -59.23 -44.81 92.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.618 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.6 mtp85 -64.6 -43.09 94.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.566 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.2 ttt-85 -58.92 -42.8 90.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.668 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.73 -46.46 85.26 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.576 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.04 -38.35 82.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.573 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 26.2 mmtt -63.73 -46.81 83.7 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.542 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -61.82 -36.41 81.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.748 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.645 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.7 mp . . . . . 0 N--CA 1.458 -0.062 0 CA-C-O 120.872 0.368 . . . . 0.0 110.418 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 98.2 t -66.03 -44.08 92.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.444 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 67.1 t -56.08 -41.79 70.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.704 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 14.4 mt -68.16 -41.98 84.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.617 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.3 mp -62.5 -37.26 85.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.632 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 24.6 t -63.9 -45.03 98.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.602 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.53 -37.99 88.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.454 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.2 mt -56.13 -48.84 75.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.482 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.74 -43.13 99.46 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.502 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 43.4 t -58.91 -43.91 89.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.421 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.6 mt -67.8 -32.57 73.23 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.457 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.04 -38.3 75.8 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.587 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.1 mt -65.59 -38.51 89.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.462 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.75 -39.13 80.47 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.564 -179.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.26 -45.6 92.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.389 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.85 -43.29 96.57 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.509 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 30.3 mmm-85 -57.63 -44.24 85.41 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.514 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.9 tpp180 -63.46 -48.21 78.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.704 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -53.23 -47.77 68.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.547 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.8 mt -58.23 -43.22 87.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.597 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.0 tttt -62.29 -42.32 99.26 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.469 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 53.3 mm-40 -62.98 -38.43 91.11 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.532 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.327 -0.395 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.64 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.4 tp . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.789 0.328 . . . . 0.0 110.607 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.458 ' O ' HG23 ' A' ' 29' ' ' VAL . 20.2 t -60.5 -43.58 94.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.669 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 82.9 t -64.38 -43.37 97.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.616 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 40.5 mt -62.75 -41.53 92.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.53 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.51 -48.32 82.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.586 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.468 ' O ' HG23 ' A' ' 33' ' ' VAL . 57.3 t -61.82 -42.2 93.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.558 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.9 tp -60.26 -45.79 92.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.628 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.6 mp -59.87 -39.23 84.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.642 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.46 -42.36 87.66 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.658 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 29' ' ' VAL . 73.5 t -57.1 -47.22 84.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.458 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.8 mt -65.69 -32.59 74.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.527 179.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.37 -42.08 84.02 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.51 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.402 HD23 ' O ' ' A' ' 36' ' ' LEU . 0.6 OUTLIER -63.12 -40.82 98.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.517 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.419 ' O ' HD23 ' A' ' 37' ' ' LEU . 0.7 OUTLIER -62.38 -41.61 98.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.539 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.59 -42.85 99.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.587 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.98 -48.84 79.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.617 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 13.7 mmt85 -59.34 -46.36 88.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.564 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -55.07 -42.49 72.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.579 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.53 -44.18 91.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.46 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.9 mp -55.27 -38.15 68.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.573 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 8.2 tptt -67.92 -50.59 55.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.671 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -59.86 -30.01 68.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.593 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 32.7 mttt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.558 179.881 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.737 0.303 . . . . 0.0 110.532 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.457 ' O ' HG23 ' A' ' 29' ' ' VAL . 89.2 t -72.84 -37.56 55.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.615 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 90.2 t -57.75 -51.14 73.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.591 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.6 mp -61.85 -50.89 78.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.506 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.5 mp -51.33 -47.4 62.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.517 -179.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 25' ' ' VAL . 71.6 t -62.64 -45.06 99.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.525 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.5 mt -61.58 -42.56 99.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.591 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.42 -39.25 86.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.396 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.32 -41.16 90.07 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.424 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 40.3 t -55.42 -44.2 74.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.353 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.6 mt -66.72 -37.23 84.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.376 179.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.02 -44.65 87.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.493 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.6 mp -66.0 -42.28 89.96 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.569 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.1 mt -58.73 -44.32 90.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.554 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.5 m -61.43 -46.39 90.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.578 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 16.6 t-80 -59.52 -39.97 85.61 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.553 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 19.0 mtp85 -67.4 -42.98 82.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.583 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.75 -42.51 97.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.647 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.4 -53.33 44.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.563 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.2 tp -47.42 -40.84 18.87 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.58 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 18.7 tttt -70.05 -47.11 63.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.476 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -68.11 -11.83 59.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.578 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 75.5 tttt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.52 179.976 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.7 tp . . . . . 0 N--CA 1.457 -0.094 0 CA-C-O 120.845 0.355 . . . . 0.0 110.581 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.514 ' O ' HG23 ' A' ' 29' ' ' VAL . 3.4 t -60.59 -45.8 96.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.658 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 39.1 t -60.61 -39.68 82.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.576 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 20.3 mt -65.46 -41.95 92.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.543 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.77 -46.86 86.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.544 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 25' ' ' VAL . 35.5 t -59.55 -43.43 90.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.615 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.63 -47.3 84.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.537 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.3 tp -55.29 -41.2 71.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.597 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.93 -47.8 81.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.495 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 29' ' ' VAL . 90.0 t -56.36 -43.42 77.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.552 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 tp -64.78 -38.41 90.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.588 179.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.87 -45.46 93.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.658 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.5 mp -62.95 -45.73 91.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.538 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.7 mt -59.57 -41.31 89.93 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.599 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.1 p -59.79 -46.93 87.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.545 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 5.7 m80 -54.92 -47.74 74.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.652 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 21.2 ttp180 -63.8 -43.9 94.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.527 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 21.2 mtp85 -60.85 -40.34 92.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.525 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.51 -41.57 98.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.577 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.533 ' O ' HD23 ' A' ' 43' ' ' LEU . 1.1 tt -60.84 -48.2 82.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.62 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -57.32 -51.97 67.22 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.63 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -50.67 -43.92 57.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.538 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.612 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.457 -0.104 0 CA-C-O 120.816 0.341 . . . . 0.0 110.506 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.468 ' O ' HG23 ' A' ' 29' ' ' VAL . 63.2 t -62.59 -52.27 61.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.421 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 41.5 t -51.18 -48.17 31.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.475 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 81.6 mt -60.46 -43.95 95.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.538 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.43 ' O ' ' OG1' ' A' ' 32' ' ' THR . 1.0 OUTLIER -56.57 -40.99 76.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.44 179.746 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 25' ' ' VAL . 48.7 t -62.13 -48.04 90.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.63 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.2 mp -57.36 -44.82 84.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.628 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.4 mp -59.96 -42.43 94.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.562 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.43 ' OG1' ' O ' ' A' ' 28' ' ' LEU . 0.1 OUTLIER -60.65 -49.49 77.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.566 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 86.5 t -56.68 -46.2 82.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.519 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.0 tp -62.07 -29.93 70.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.583 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.65 -54.43 10.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.584 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.2 mt -57.37 -37.74 73.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.588 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.472 ' O ' HD23 ' A' ' 37' ' ' LEU . 0.9 OUTLIER -61.79 -47.16 86.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.638 -179.865 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.7 t -62.89 -45.57 91.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.615 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.415 ' CD2' ' C ' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -59.27 -43.59 92.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.517 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 16.6 mmt180 -61.28 -40.62 94.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.64 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.4 ttt-85 -65.27 -42.31 93.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.534 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.14 -49.56 77.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.446 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' A' ' 43' ' ' LEU . 1.6 mm? -58.81 -40.84 85.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.803 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 53.0 tttm -58.08 -50.21 74.26 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.611 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -65.05 -31.36 72.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.63 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 89.0 tttt . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.651 -179.83 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.5 mt . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.789 0.328 . . . . 0.0 110.543 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 95.4 t -60.11 -44.5 95.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.564 -179.263 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 16.2 t -62.14 -43.84 98.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.58 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.5 mm -56.28 -41.75 71.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.578 179.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.45 -49.18 70.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.504 179.795 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.454 ' O ' HG23 ' A' ' 33' ' ' VAL . 96.8 t -59.44 -40.06 80.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.513 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.2 tp -62.32 -45.69 92.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.544 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.0 tp -57.08 -41.93 79.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.542 -179.551 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.33 -43.47 97.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.613 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 29' ' ' VAL . 82.7 t -56.28 -46.19 81.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.523 179.752 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.0 mp -64.96 -38.99 92.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.562 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.32 -48.71 80.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.581 -179.467 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.8 mp -63.06 -45.14 93.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.599 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.7 tp -59.4 -43.13 93.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.66 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.6 -48.68 80.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.557 179.502 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 56.7 t60 -59.88 -42.37 93.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.522 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.5 tpt180 -61.19 -43.96 98.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.696 -179.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.7 mmm-85 -64.75 -40.34 95.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.585 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.09 -42.02 94.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.492 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.55 -34.71 78.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.607 -179.088 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 24.2 tttp -66.55 -49.77 65.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.565 179.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -54.75 -43.15 72.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.515 179.508 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.0 mmtm . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.598 179.819 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.457 -0.099 0 CA-C-O 120.904 0.383 . . . . 0.0 110.469 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.448 ' O ' HG23 ' A' ' 29' ' ' VAL . 75.6 t -60.95 -44.7 98.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.637 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 86.4 t -55.98 -43.04 73.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.554 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.426 HD12 ' N ' ' A' ' 27' ' ' ILE . 1.6 mp -70.43 -44.69 77.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.452 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.3 tt -54.69 -41.65 70.49 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.606 -179.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.532 ' O ' HG23 ' A' ' 33' ' ' VAL . 94.8 t -65.95 -51.24 63.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.579 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.49 -32.73 67.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.478 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.13 -45.98 82.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.632 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -65.07 -38.49 90.98 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.632 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 29' ' ' VAL . 59.4 t -59.54 -46.18 93.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.1 mp -64.36 -31.44 72.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.428 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.78 -44.61 63.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.69 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.94 -41.83 88.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.549 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.4 mp -62.21 -45.65 92.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.585 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 74.4 m -59.59 -45.32 92.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.441 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -59.23 -37.8 78.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.536 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.37 -53.64 49.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.529 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 64.8 mtp180 -56.23 -41.33 75.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.455 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.86 -47.73 82.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.676 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.83 -43.65 81.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.701 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 16.6 mttp -63.94 -44.2 93.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.558 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -60.46 -36.71 78.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.618 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 28.7 mttt . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.634 179.982 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.6 mt . . . . . 0 C--O 1.233 0.211 0 CA-C-O 120.772 0.32 . . . . 0.0 110.564 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.574 ' O ' HG23 ' A' ' 29' ' ' VAL . 99.1 t -67.3 -37.05 78.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.426 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 24.4 t -65.55 -41.18 90.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.543 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 86.8 mt -62.74 -44.62 99.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.633 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.498 HD23 ' O ' ' A' ' 28' ' ' LEU . 1.1 tt -57.14 -49.11 76.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.497 -179.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 25' ' ' VAL . 42.7 t -57.12 -42.53 79.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.346 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -59.47 -43.94 93.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.639 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.6 tp -62.65 -44.81 95.32 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.231 179.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -58.41 -46.54 86.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.609 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 53.7 t -55.66 -42.89 71.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.467 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.1 mp -64.26 -39.41 93.89 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.459 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.14 -41.0 95.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.564 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.5 mp -64.41 -41.1 96.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.526 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.7 -35.46 80.64 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.565 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.6 p -68.24 -47.48 67.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.669 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 4.1 m80 -58.25 -44.59 88.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.401 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.515 HH11 ' CG ' ' A' ' 40' ' ' ARG . 0.1 OUTLIER -58.25 -44.92 88.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.535 179.888 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.07 -49.46 77.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.577 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.82 -45.39 86.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.523 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.09 -45.25 89.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.612 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.2 tptt -55.92 -38.88 70.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.531 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -70.77 -48.49 54.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.581 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.7 tttm . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.526 -179.965 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.3 tp . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.792 0.33 . . . . 0.0 110.579 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 44.6 t -64.91 -49.11 81.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.591 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 61.2 t -53.49 -45.46 58.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.53 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 77.6 mt -60.32 -49.38 84.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.563 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -51.27 -45.31 62.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.578 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.54 ' O ' HG23 ' A' ' 33' ' ' VAL . 58.5 t -61.95 -49.6 83.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.596 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.433 HD13 ' HA ' ' A' ' 30' ' ' LEU . 2.2 mm? -60.82 -34.73 74.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.552 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.95 -51.13 69.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.594 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -61.61 -37.57 84.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.514 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 29' ' ' VAL . 70.1 t -59.9 -43.71 92.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.574 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.33 -34.3 75.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.522 179.579 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.17 -49.12 63.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.553 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.4 mt -54.19 -46.61 72.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.565 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 mt -59.39 -48.85 80.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.564 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.4 m -60.39 -42.95 96.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.583 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -62.45 -42.82 99.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.527 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.3 ttm180 -61.41 -39.79 92.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.571 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 -61.89 -51.2 69.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.555 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.26 -38.64 74.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.507 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.33 -40.79 81.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.568 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.8 mtpm? -63.17 -45.32 92.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.555 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 25.1 mt-30 -57.16 -48.04 79.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.626 179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.1 tptt . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.548 -179.676 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.787 0.327 . . . . 0.0 110.427 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 48.9 t -65.82 -47.62 85.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.568 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 77.5 t -56.75 -44.89 82.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.434 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 80.1 mt -60.86 -48.36 89.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.544 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.9 tp -53.72 -45.65 70.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.604 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 69.2 t -63.54 -44.54 98.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.579 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.9 tp -61.48 -42.15 98.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.47 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.07 -43.12 99.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.423 -179.754 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -57.94 -46.34 85.22 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.535 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 80.2 t -56.75 -41.73 75.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.315 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.3 mp -67.91 -38.47 82.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.573 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.86 -40.86 95.82 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.643 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.69 -46.73 81.14 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.518 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.86 -41.48 74.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.485 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.31 -39.83 85.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.476 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 57.6 t-80 -63.19 -36.68 84.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.646 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 63.6 ttt-85 -66.79 -48.78 67.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.554 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 10.0 mmm-85 -59.49 -32.4 70.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.545 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.86 -43.07 66.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.559 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.4 tp -55.4 -43.32 75.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.449 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.0 mmmm -67.86 -48.45 66.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.423 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -61.03 -21.86 64.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.525 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.1 ttpt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.516 -179.991 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.455 -0.222 0 CA-C-O 120.892 0.377 . . . . 0.0 110.766 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 99.3 t -59.91 -46.55 93.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.592 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 57.7 t -58.9 -38.98 76.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.571 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.7 mm -71.67 -34.27 51.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.62 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.14 -52.64 64.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.583 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 28.2 m -66.04 -33.73 65.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.507 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.8 tp -64.77 -46.09 83.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.331 -179.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.8 mt -60.45 -48.35 82.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.609 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -55.87 -48.62 75.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.588 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 43.0 t -54.63 -38.99 44.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.419 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -68.6 -40.25 80.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.698 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.42 -37.68 88.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.59 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.8 -45.95 87.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.472 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.7 mt -61.43 -45.65 93.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.74 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 41.7 t -58.0 -48.35 80.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.644 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -59.9 -51.2 70.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.554 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 41.6 ttt180 -52.91 -37.83 61.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.511 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 18.5 ttm-85 -63.69 -52.3 61.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.598 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.31 -33.24 73.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.52 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.4 mp -62.73 -43.73 98.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.619 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.7 ttpt -65.84 -38.69 89.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.579 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -64.95 -35.75 82.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.57 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.7 ttmm . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.594 -179.987 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.4 tp . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.812 0.339 . . . . 0.0 110.567 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 47.5 t -61.31 -37.49 77.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.535 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 86.5 t -64.82 -39.0 84.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.588 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 81.7 mt -63.87 -48.3 86.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.547 179.643 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.52 -42.81 79.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.495 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.672 ' O ' HG23 ' A' ' 33' ' ' VAL . 38.9 t -63.66 -45.23 98.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.584 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.7 tp -65.53 -37.03 85.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.612 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.1 tp -59.79 -44.14 94.09 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.55 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.95 -37.03 83.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.51 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.672 HG23 ' O ' ' A' ' 29' ' ' VAL . 97.1 t -61.36 -45.89 97.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.58 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.0 mt -65.8 -32.24 73.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.62 179.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.51 -43.02 81.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.55 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.25 -36.83 84.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.619 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.1 tp -61.05 -43.82 98.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.558 -179.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.0 m -68.4 -43.92 76.22 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.471 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -54.51 -45.13 73.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.529 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 27.0 ttp180 -66.4 -46.13 77.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.515 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.477 HH11 ' CG ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -55.67 -43.76 76.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.595 179.905 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.71 -42.93 98.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.642 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.8 mt -63.19 -42.56 99.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.583 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.97 -44.04 86.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.612 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -63.18 -42.86 99.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.499 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.2 tttt . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.55 179.956 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.7 mp . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.896 0.379 . . . . 0.0 110.81 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 28.8 t -56.49 -40.01 65.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.348 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 67.9 t -66.53 -46.35 86.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.402 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.3 mt -59.71 -37.16 69.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.288 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.0 tp -60.0 -52.98 63.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.686 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 74.5 t -58.59 -44.82 90.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.425 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -60.76 -40.68 93.38 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.54 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.1 mt -58.68 -42.8 89.36 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.425 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.69 -44.93 94.98 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.59 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.4 t -56.82 -45.63 83.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.027 0.442 . . . . 0.0 110.239 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.04 -35.74 82.15 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.477 -179.728 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.77 -42.5 81.64 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.207 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.2 mt -61.75 -37.48 84.42 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.371 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.9 mt -65.38 -46.69 79.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.437 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.66 -38.85 91.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.448 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 70.3 t60 -63.55 -47.86 79.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.69 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.89 -45.87 74.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.561 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.97 -42.03 88.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.589 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.13 -43.73 98.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.547 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.18 -47.37 75.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.596 -179.706 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.7 mmtp -68.46 -41.97 79.42 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.411 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -65.2 -20.06 66.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.709 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.7 mttp . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.585 -179.939 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.768 0.318 . . . . 0.0 110.589 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 74.4 t -70.33 -36.79 68.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.531 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 69.5 t -65.17 -38.01 81.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.424 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 13.8 mt -65.52 -48.5 82.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.536 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.5 tp -57.92 -49.94 75.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.569 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.5 t -62.01 -44.06 98.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.47 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.62 -40.73 79.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.562 -179.662 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.3 mp -62.52 -48.23 80.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.628 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -55.75 -40.4 72.49 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.589 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 50.6 t -59.28 -50.71 78.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.54 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.1 mt -61.55 -30.16 70.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.563 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.6 -52.27 53.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.69 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.7 mt -64.71 -39.25 93.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.616 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.4 -45.31 72.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.567 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.4 t -68.68 -45.54 71.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.555 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 17.1 t-80 -54.54 -41.76 70.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.557 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.31 -44.12 79.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.614 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 -57.08 -40.52 77.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.669 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.36 -41.99 72.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.529 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.14 -38.77 84.12 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.652 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 26.6 tttm -69.86 -56.44 7.09 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.75 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -65.26 -7.32 12.57 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.662 -179.67 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 25.0 tttp . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.446 -179.746 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.455 -0.183 0 CA-C-O 120.843 0.354 . . . . 0.0 110.585 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 92.8 t -63.73 -43.7 98.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.432 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 51.2 t -56.42 -50.94 70.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.596 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 16.0 mt -55.9 -42.43 71.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.378 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.99 -49.06 74.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.667 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 43.8 t -66.01 -42.41 91.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.606 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.19 -43.78 98.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.647 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.563 HD23 ' O ' ' A' ' 31' ' ' LEU . 1.1 tt -60.04 -45.01 94.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.53 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -57.44 -46.79 83.19 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.577 -179.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 67.2 t -54.73 -49.13 70.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.473 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.5 mt -56.4 -39.06 72.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.425 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.64 -52.63 56.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.619 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.0 tp -59.42 -37.33 77.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.467 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' A' ' 37' ' ' LEU . 1.1 mm? -64.28 -46.14 84.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.705 -179.745 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.9 t -58.01 -39.99 79.67 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.481 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -66.02 -43.13 88.53 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.673 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.17 -42.0 85.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.604 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 48.4 ttp180 -55.12 -45.64 75.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.531 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.89 -51.07 61.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.508 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.9 mp -47.52 -41.47 21.14 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.626 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.2 mttm -68.13 -53.38 25.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.602 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.46 -15.39 60.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.604 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 29.6 mmtt . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.543 -179.915 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.2 mtt . . . . . 0 N--CA 1.489 1.501 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -159.73 19.95 0.17 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.536 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.453 ' N ' ' CD ' ' A' ' 4' ' ' PRO . 2.8 mt-10 52.59 54.08 13.06 Favored Pre-proline 0 C--N 1.327 -0.4 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.639 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.453 ' CD ' ' N ' ' A' ' 3' ' ' GLU . 33.6 Cg_endo -66.14 -15.93 50.22 Favored 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 122.776 2.317 . . . . 0.0 112.085 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 8.0 p -64.76 -22.93 32.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.619 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -65.97 -3.69 5.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.596 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 71.0 mt -94.99 -22.04 18.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.632 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.4 mp 55.65 101.25 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.631 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.421 ' OG1' ' OG ' ' A' ' 11' ' ' SER . 0.5 OUTLIER -147.05 161.2 37.74 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.617 -179.834 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -69.84 -23.89 29.92 Favored 'Trans proline' 0 C--N 1.306 -1.667 0 C-N-CA 122.828 2.352 . . . . 0.0 112.113 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.421 ' OG ' ' OG1' ' A' ' 9' ' ' THR . 0.4 OUTLIER -59.23 -7.27 1.16 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.7 -179.861 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.509 ' O ' ' N ' ' A' ' 14' ' ' ASP . 26.8 m-20 -133.87 -45.27 0.8 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.453 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.04 85.33 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.641 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.509 ' N ' ' O ' ' A' ' 12' ' ' ASP . 0.6 OUTLIER -118.41 157.21 49.96 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.617 -179.753 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_endo -62.55 -32.54 79.79 Favored 'Trans proline' 0 C--N 1.304 -1.794 0 C-N-CA 122.805 2.337 . . . . 0.0 112.085 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -64.0 -50.35 68.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.821 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.405 HG21 HD13 ' A' ' 17' ' ' ILE . 10.0 mt -63.49 -35.85 74.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.504 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.6 mp -62.87 -50.6 70.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.548 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.7 m -61.68 -35.86 79.22 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.599 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.8 mt -61.42 -48.78 79.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.642 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.52 -42.03 95.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.514 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.1 tp -56.55 -49.37 75.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.675 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 97.3 mt -60.73 -41.02 86.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.503 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.1 tp -60.92 -45.97 92.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.467 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 24.3 t -59.98 -42.23 88.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.635 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 42.4 t -61.37 -41.63 90.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.608 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 22.4 mt -65.85 -41.66 90.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.483 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.9 mt -59.91 -37.0 78.19 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-O 121.052 0.453 . . . . 0.0 110.685 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.581 ' O ' HG23 ' A' ' 33' ' ' VAL . 55.9 t -73.18 -36.45 50.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.631 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.1 mp -66.97 -42.94 84.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.652 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.9 -44.37 97.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.587 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.92 -49.2 77.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.617 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 29' ' ' VAL . 97.7 t -55.99 -42.66 72.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.442 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.1 tp -65.74 -35.65 81.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.534 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.9 -46.81 80.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.557 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.2 mp -62.5 -36.73 83.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.563 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.21 -43.19 92.33 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.622 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -61.72 -45.68 92.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.709 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 66.2 m-70 -60.39 -49.02 79.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.525 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.2 mtt-85 -58.66 -42.82 89.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.512 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 44.4 mtt180 -61.21 -40.81 95.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.621 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.96 -47.17 86.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.559 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.6 tp -56.01 -39.35 71.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.594 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.3 tttm -70.65 -44.16 67.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.657 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -59.16 -38.48 79.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.51 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.0 mtpt -64.04 -51.85 62.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.58 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.3 tt -80.34 1.67 2.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.61 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 41.7 t-105 -150.0 70.86 9.41 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.496 -179.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo . . . . . 0 C--N 1.306 -1.686 0 C-N-CA 122.818 2.345 . . . . 0.0 112.147 -179.865 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.2 ttm . . . . . 0 N--CA 1.488 1.456 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -78.13 106.85 10.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.603 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.45 ' C ' ' H ' ' A' ' 5' ' ' VAL . 70.8 mt-10 -135.1 55.7 14.29 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.689 179.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.431 ' CD ' ' N ' ' A' ' 3' ' ' GLU . 42.0 Cg_endo -70.05 16.31 0.23 Allowed 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.776 2.317 . . . . 0.0 112.23 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.45 ' H ' ' C ' ' A' ' 3' ' ' GLU . 2.9 t -116.33 -14.27 10.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.634 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.6 m -97.64 66.8 1.99 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.575 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.99 161.31 6.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.6 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -81.14 169.93 16.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.499 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -108.08 165.19 13.2 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.553 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -43.77 -30.35 2.88 Favored 'Trans proline' 0 C--N 1.304 -1.786 0 C-N-CA 122.758 2.305 . . . . 0.0 112.061 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 57.9 m -43.48 -38.15 2.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.618 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -106.68 -44.51 4.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.628 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.4 mp -68.87 83.49 0.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.444 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -104.25 161.96 21.3 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.729 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -42.31 -33.74 2.67 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.66 2.24 . . . . 0.0 112.011 -179.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -54.25 -53.29 55.68 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.942 0.401 . . . . 0.0 110.801 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 45.9 mt -69.91 -33.71 56.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.624 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.74 -50.66 72.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.423 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.5 m -65.57 -46.37 79.71 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.574 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -49.97 -44.53 50.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.518 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.4 m -63.77 -44.01 94.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.523 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.514 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.6 OUTLIER -54.98 -50.61 68.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.409 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 75.6 mt -58.9 -37.71 68.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.464 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.27 -45.39 91.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.541 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.657 ' O ' HG23 ' A' ' 29' ' ' VAL . 92.5 t -65.29 -39.83 86.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.49 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 22' ' ' LEU . 77.7 t -56.7 -48.85 80.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.462 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 33.3 mt -60.05 -44.98 96.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.551 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.82 -44.86 82.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.519 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.657 HG23 ' O ' ' A' ' 25' ' ' VAL . 61.6 t -56.6 -47.13 82.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.471 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.5 mp -64.53 -34.52 78.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.59 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.01 -53.28 59.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.438 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -60.77 -47.03 88.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.486 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 29' ' ' VAL . 92.4 t -54.3 -46.11 68.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.463 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.487 HD23 ' O ' ' A' ' 34' ' ' LEU . 0.7 OUTLIER -65.91 -39.19 90.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.483 179.788 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -60.33 -44.83 95.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.545 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.0 mt -63.57 -42.64 98.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.498 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.67 -40.52 83.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.469 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -62.26 -48.39 80.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.616 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -59.56 -39.47 84.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.548 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.37 -46.09 88.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.63 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -61.6 -41.71 97.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.569 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.82 -48.9 72.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.498 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.8 tp -57.44 -34.54 69.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.575 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 20.3 tttp -70.1 -49.17 53.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.438 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.9 mm-40 -56.44 -26.32 53.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.652 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.75 -51.0 13.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.602 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.4 tp -83.39 3.52 2.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.558 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 27.2 t-105 -157.9 65.38 3.25 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.593 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo . . . . . 0 C--N 1.306 -1.697 0 C-N-CA 122.828 2.352 . . . . 0.0 112.096 179.972 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.8 ttm . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 51.19 -177.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.59 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.405 ' N ' ' CD ' ' A' ' 4' ' ' PRO . 1.3 mt-10 53.76 56.73 13.36 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.412 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.405 ' CD ' ' N ' ' A' ' 3' ' ' GLU . 39.2 Cg_endo -68.61 -10.62 29.58 Favored 'Trans proline' 0 C--N 1.306 -1.662 0 C-N-CA 122.799 2.333 . . . . 0.0 112.093 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 68.9 t -95.21 -20.83 5.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.598 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.86 -32.46 11.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.438 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 mp -102.1 -169.6 1.7 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.576 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.5 tp 64.98 80.94 0.22 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.459 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.01 161.53 63.15 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.631 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -68.53 -39.01 10.03 Favored 'Trans proline' 0 C--N 1.306 -1.696 0 C-N-CA 122.815 2.343 . . . . 0.0 112.098 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.06 1.36 3.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.702 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -126.07 -34.61 2.53 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.577 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.2 tp -56.98 91.94 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.475 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -122.89 158.02 58.45 Favored Pre-proline 0 C--O 1.232 0.184 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.544 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -58.49 -16.99 32.06 Favored 'Trans proline' 0 C--N 1.308 -1.581 0 C-N-CA 122.902 2.401 . . . . 0.0 112.201 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.3 mt -65.21 -34.52 78.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.549 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 96.2 mt -66.69 -44.87 89.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.377 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.0 mp -59.81 -41.48 91.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.467 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.1 p -64.66 -47.19 79.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.529 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.54 -41.25 80.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.575 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.13 -42.39 96.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.541 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.2 mp -59.71 -44.04 93.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.574 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 66.7 mt -59.47 -45.32 93.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.562 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.1 tp -63.35 -45.52 90.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.622 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 42.5 t -56.44 -44.36 80.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.5 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 67.1 t -60.87 -47.13 94.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.608 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 90.5 mt -58.95 -47.27 90.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.469 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.1 mt -51.65 -45.48 63.37 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.495 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.409 ' O ' HG23 ' A' ' 33' ' ' VAL . 56.7 t -60.85 -50.07 82.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.487 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.53 -40.28 86.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.624 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.6 tp -59.68 -47.8 84.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.556 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -59.56 -41.65 90.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.641 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 29' ' ' VAL . 72.9 t -54.95 -53.93 28.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.433 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.4 mp -57.19 -35.21 69.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.352 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.81 -46.79 77.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.549 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.9 mp -60.52 -39.02 86.32 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.54 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.3 mp -66.31 -41.79 89.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.632 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 88.2 p -61.59 -42.35 98.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.553 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 14.5 m170 -66.93 -36.95 83.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.518 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -65.45 -41.09 93.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.584 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.6 tpp180 -65.85 -36.47 83.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.602 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.44 -40.5 81.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.682 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.8 -36.64 84.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.638 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.0 tttp -67.56 -40.56 84.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.713 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -67.63 -37.83 83.03 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.563 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.2 tttm -66.22 -36.12 82.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.56 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 67.0 mt -83.01 -19.37 10.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.73 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 58.1 m95 -141.76 66.22 21.62 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.44 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo . . . . . 0 C--N 1.307 -1.608 0 C-N-CA 122.623 2.216 . . . . 0.0 112.143 -179.995 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 41.6 mtt . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.1 t -130.53 29.56 4.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.647 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -145.2 63.25 9.74 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.497 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -76.51 -46.63 0.16 Allowed 'Trans proline' 0 C--N 1.306 -1.663 0 C-N-CA 122.845 2.364 . . . . 0.0 112.274 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 42.5 t 40.23 82.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.452 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t 62.62 14.92 7.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.555 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.0 tp 61.49 35.17 17.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.508 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.454 ' O ' ' C ' ' A' ' 9' ' ' THR . 1.2 mt -88.27 123.03 32.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.543 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.454 ' C ' ' O ' ' A' ' 8' ' ' LEU . 4.3 p -30.88 95.65 0.08 OUTLIER Pre-proline 0 C--N 1.344 0.343 0 O-C-N 124.043 0.84 . . . . 0.0 110.466 -179.616 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.414 ' N ' ' O ' ' A' ' 8' ' ' LEU . 47.9 Cg_exo -53.03 -32.28 57.62 Favored 'Trans proline' 0 N--CA 1.494 1.544 0 C-N-CA 122.502 2.135 . . . . 0.0 112.31 -179.154 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 17.0 m -69.91 -20.98 63.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.61 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -93.16 -31.17 14.88 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.53 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -40.6 109.91 0.13 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.687 -179.626 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -121.68 158.68 53.53 Favored Pre-proline 0 N--CA 1.455 -0.177 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.702 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -64.5 -31.59 60.77 Favored 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.745 2.297 . . . . 0.0 112.161 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -62.84 -52.16 64.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.697 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 48.1 mt -66.67 -33.71 65.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.469 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.0 -45.5 93.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.505 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.4 p -63.13 -42.81 99.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.534 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.9 tp -57.93 -47.95 81.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.485 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.666 ' O ' HG23 ' A' ' 25' ' ' VAL . 48.6 m -59.09 -36.65 75.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.342 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.6 tp -59.51 -52.94 63.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.386 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 59.9 mt -59.18 -40.23 80.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.48 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.7 tp -59.78 -43.21 94.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.571 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.666 HG23 ' O ' ' A' ' 21' ' ' SER . 58.4 t -63.29 -42.21 95.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.54 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 72.0 t -57.92 -43.4 84.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.409 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 14.5 mt -69.05 -42.59 82.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.632 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.4 mp -58.64 -39.03 79.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.529 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 23.6 t -68.53 -40.43 82.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.566 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.4 mp -67.73 -39.46 84.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.525 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.2 mt -59.98 -43.23 95.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.404 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -63.96 -44.13 93.68 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.523 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 56.0 t -53.54 -47.88 59.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.396 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.5 mt -66.12 -38.4 88.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.356 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.27 -40.79 97.41 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.486 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.4 tp -66.82 -44.57 80.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.643 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.76 -41.66 82.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.587 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 75.0 m -62.81 -44.7 95.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.497 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -58.4 -43.56 88.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.561 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.3 tpp85 -63.62 -44.41 94.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.601 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 57.4 mtp180 -60.03 -43.79 95.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.549 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -58.65 -43.64 89.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.486 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.85 -45.92 90.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.514 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 2.9 tttm -57.94 -39.4 77.95 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.607 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -65.6 -41.05 93.23 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.638 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 20.4 tttm -65.71 -32.28 73.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.648 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.7 mm -73.33 -37.59 51.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.665 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 68.4 t90 -147.8 75.26 11.05 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.354 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo . . . . . 0 C--N 1.309 -1.51 0 C-N-CA 122.797 2.331 . . . . 0.0 112.266 -179.771 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.4 ' C ' ' HG ' ' A' ' 2' ' ' SER . 5.5 tpp . . . . . 0 N--CA 1.491 1.623 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.44 ' H ' ' HD3' ' A' ' 4' ' ' PRO . 1.2 m -163.74 -53.8 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.582 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.427 ' N ' ' CD ' ' A' ' 4' ' ' PRO . 27.9 mt-10 -143.54 54.6 3.15 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.457 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.44 ' HD3' ' H ' ' A' ' 2' ' ' SER . 38.7 Cg_endo -68.45 -52.75 0.42 Allowed 'Trans proline' 0 C--N 1.305 -1.725 0 C-N-CA 122.722 2.281 . . . . 0.0 112.138 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 4.0 m -61.53 -16.83 15.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.719 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.56 -34.62 13.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.641 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -79.58 -25.72 41.49 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.672 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -103.76 104.32 14.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.466 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 10.6 p -144.32 75.73 15.07 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.519 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_exo -61.64 -43.17 28.12 Favored 'Trans proline' 0 C--N 1.304 -1.779 0 C-N-CA 122.888 2.392 . . . . 0.0 112.032 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.405 ' O ' ' OD2' ' A' ' 14' ' ' ASP . 0.0 OUTLIER -54.52 -44.38 72.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.568 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -73.67 -41.0 63.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.538 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.1 tp -65.86 75.75 0.08 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.478 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.405 ' OD2' ' O ' ' A' ' 11' ' ' SER . 1.1 m-20 -124.01 96.45 42.41 Favored Pre-proline 0 CA--C 1.533 0.307 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.151 179.534 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -53.51 -21.24 18.07 Favored 'Trans proline' 0 N--CA 1.495 1.611 0 C-N-CA 122.495 2.13 . . . . 0.0 112.171 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.5 tp -76.1 -54.53 6.69 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.609 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 36.1 mt -65.02 -33.06 61.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.273 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.3 tp -62.82 -50.31 71.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.503 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -61.22 -42.9 99.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.725 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.1 tp -57.88 -42.04 83.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.556 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.17 -44.1 80.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.626 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.77 -45.84 78.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.544 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.7 mm -58.65 -48.25 86.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.462 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.0 tp -58.57 -43.04 89.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.522 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 41.9 t -56.9 -47.33 83.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.47 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 92.9 t -55.54 -46.79 79.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.455 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.4 mt -62.65 -41.91 94.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.444 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.19 -43.97 98.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.667 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 70.7 t -61.52 -44.19 98.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.494 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.5 tp -63.12 -43.51 98.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.502 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.57 -47.05 83.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.324 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -56.61 -45.02 81.71 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.526 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 41.8 t -56.05 -52.07 54.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.539 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.76 -32.44 71.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.441 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.88 -52.15 61.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.601 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.4 mp -59.57 -39.56 84.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.479 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.9 mp -58.44 -47.82 82.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.609 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.23 -40.2 95.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.454 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -59.23 -44.81 92.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.618 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.6 mtp85 -64.6 -43.09 94.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.566 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.2 ttt-85 -58.92 -42.8 90.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.668 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.73 -46.46 85.26 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.576 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.04 -38.35 82.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.573 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 26.2 mmtt -63.73 -46.81 83.7 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.542 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 12.7 mt-30 -61.82 -36.41 81.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.748 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -68.11 -38.53 82.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.645 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 52.8 mt -79.93 -37.5 17.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.623 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.431 ' O ' ' OXT' ' A' ' 49' ' ' PRO . 0.3 OUTLIER -135.13 75.17 60.72 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.539 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.431 ' OXT' ' O ' ' A' ' 48' ' ' TRP . 37.9 Cg_exo . . . . . 0 C--N 1.307 -1.639 0 C-N-CA 122.735 2.29 . . . . 0.0 112.166 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 tpt . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 p -87.46 -17.04 33.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.615 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -136.13 70.78 62.48 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.576 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -49.18 -23.46 6.67 Favored 'Trans proline' 0 C--N 1.306 -1.71 0 C-N-CA 122.822 2.348 . . . . 0.0 112.144 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.46 HG22 ' H ' ' A' ' 5' ' ' VAL . 0.1 OUTLIER -81.26 149.71 4.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.502 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.5 t -104.45 30.7 5.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.55 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.2 mp -83.88 92.36 7.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.53 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.7 mt -102.7 -49.62 3.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.63 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -133.94 75.84 66.05 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.501 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -51.6 -21.69 11.4 Favored 'Trans proline' 0 C--N 1.306 -1.665 0 C-N-CA 122.834 2.356 . . . . 0.0 112.12 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -46.15 -28.37 1.22 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.639 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.536 ' O ' ' N ' ' A' ' 14' ' ' ASP . 5.1 m-20 -139.58 -37.04 0.5 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.741 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.6 tp -54.66 82.26 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.558 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.536 ' N ' ' O ' ' A' ' 12' ' ' ASP . 0.1 OUTLIER -112.2 159.18 34.75 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.577 -179.88 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_endo -67.8 -28.84 36.15 Favored 'Trans proline' 0 C--N 1.308 -1.583 0 C-N-CA 122.696 2.264 . . . . 0.0 112.093 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.9 mt -62.96 -46.13 89.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.55 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.412 HG21 HD13 ' A' ' 17' ' ' ILE . 10.6 mt -71.71 -34.95 53.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.54 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.4 tp -62.05 -45.1 95.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.58 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.6 m -64.27 -43.7 94.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.48 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.1 mp -56.43 -45.39 80.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.561 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.479 ' O ' HG23 ' A' ' 25' ' ' VAL . 3.3 m -62.39 -44.22 96.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.539 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.715 ' O ' HG23 ' A' ' 26' ' ' VAL . 1.7 mp -55.8 -44.72 78.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.487 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.8 mm -64.9 -47.07 89.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.629 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.7 mp -55.36 -40.76 71.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.418 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 21' ' ' SER . 98.2 t -66.03 -44.08 92.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.444 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.715 HG23 ' O ' ' A' ' 22' ' ' LEU . 67.1 t -56.08 -41.79 70.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.704 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 14.4 mt -68.16 -41.98 84.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.617 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.3 mp -62.5 -37.26 85.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.632 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 24.6 t -63.9 -45.03 98.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.602 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.53 -37.99 88.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.454 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.2 mt -56.13 -48.84 75.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.482 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.74 -43.13 99.46 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.502 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 43.4 t -58.91 -43.91 89.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.421 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.6 mt -67.8 -32.57 73.23 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.457 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -70.04 -38.3 75.8 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.587 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.1 mt -65.59 -38.51 89.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.462 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.75 -39.13 80.47 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.564 -179.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.26 -45.6 92.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.389 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.85 -43.29 96.57 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.509 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 30.3 mmm-85 -57.63 -44.24 85.41 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.514 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.9 tpp180 -63.46 -48.21 78.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.704 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -53.23 -47.77 68.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.547 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.8 mt -58.23 -43.22 87.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.597 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 14.0 tttt -62.29 -42.32 99.26 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.469 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 53.3 mm-40 -62.98 -38.43 91.11 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.532 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.42 -32.29 73.07 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.64 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 30.3 mt -77.53 -37.5 24.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.518 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 31.4 t90 -142.88 74.87 18.17 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.488 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo . . . . . 0 C--N 1.305 -1.742 0 C-N-CA 122.921 2.414 . . . . 0.0 112.033 179.963 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.3 t -66.76 -126.28 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.696 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.7 pm0 -139.92 59.56 13.53 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.73 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -74.07 -30.95 8.36 Favored 'Trans proline' 0 C--N 1.305 -1.711 0 C-N-CA 122.746 2.297 . . . . 0.0 112.071 179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.451 ' H ' HG23 ' A' ' 5' ' ' VAL . 2.0 t -64.94 -26.83 41.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.533 -179.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -92.39 -50.07 5.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.646 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.5 mp -59.13 146.54 38.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.589 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.6 mt -88.9 128.69 35.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.645 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 3.2 m -141.73 75.6 21.4 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.458 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -56.42 -20.26 32.23 Favored 'Trans proline' 0 C--N 1.303 -1.828 0 C-N-CA 122.812 2.341 . . . . 0.0 112.114 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.46 -19.23 61.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.515 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -104.13 -32.83 8.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.595 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 tp -74.16 86.81 1.9 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.688 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.9 158.99 32.53 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.539 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -66.31 -25.79 49.24 Favored 'Trans proline' 0 C--N 1.306 -1.672 0 C-N-CA 122.914 2.409 . . . . 0.0 112.115 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.6 mt -70.45 -52.17 24.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.649 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 66.7 mt -67.1 -29.12 45.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.549 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.4 tp -66.25 -51.67 55.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.496 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.0 m -55.93 -44.3 78.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.432 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.5 mt -61.24 -48.03 83.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.693 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -57.93 -41.94 83.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.615 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 2.7 mt -60.89 -42.38 97.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.582 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 67.8 mt -62.98 -46.24 96.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.407 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.4 tp -61.65 -38.41 87.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.607 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.458 ' O ' HG23 ' A' ' 29' ' ' VAL . 20.2 t -60.5 -43.58 94.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.669 -179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 82.9 t -64.38 -43.37 97.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.616 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 40.5 mt -62.75 -41.53 92.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.53 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.51 -48.32 82.29 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.586 -179.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.468 ' O ' HG23 ' A' ' 33' ' ' VAL . 57.3 t -61.82 -42.2 93.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.558 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.9 tp -60.26 -45.79 92.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.628 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.6 mp -59.87 -39.23 84.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.642 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.46 -42.36 87.66 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.658 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 29' ' ' VAL . 73.5 t -57.1 -47.22 84.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.458 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 9.8 mt -65.69 -32.59 74.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.527 179.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.37 -42.08 84.02 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.51 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.402 HD23 ' O ' ' A' ' 36' ' ' LEU . 0.6 OUTLIER -63.12 -40.82 98.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.517 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.419 ' O ' HD23 ' A' ' 37' ' ' LEU . 0.7 OUTLIER -62.38 -41.61 98.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.539 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.59 -42.85 99.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.587 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.98 -48.84 79.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.617 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 13.7 mmt85 -59.34 -46.36 88.84 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.564 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -55.07 -42.49 72.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.579 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.53 -44.18 91.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.46 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.9 mp -55.27 -38.15 68.2 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.573 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' A' ' 48' ' ' TRP . 8.2 tptt -67.92 -50.59 55.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.671 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -59.86 -30.01 68.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.593 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 32.7 mttt -68.95 -47.18 66.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.558 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.2 tp -93.02 2.13 8.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.486 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.456 ' N ' ' O ' ' A' ' 44' ' ' LYS . 3.5 t90 -154.26 63.53 4.22 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.031 0.443 . . . . 0.0 110.562 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo . . . . . 0 C--N 1.305 -1.722 0 C-N-CA 122.824 2.35 . . . . 0.0 112.014 -179.851 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.0 ptp . . . . . 0 N--CA 1.49 1.542 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -104.78 127.42 52.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.5 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.47 ' N ' ' CD ' ' A' ' 4' ' ' PRO . 2.6 pt-20 -151.8 52.92 1.01 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.521 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.47 ' CD ' ' N ' ' A' ' 3' ' ' GLU . 37.5 Cg_endo -66.97 -62.81 0.06 OUTLIER 'Trans proline' 0 C--N 1.307 -1.642 0 C-N-CA 122.782 2.322 . . . . 0.0 112.144 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.441 HG23 ' N ' ' A' ' 6' ' ' SER . 26.2 m -42.25 -37.76 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.56 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.538 ' O ' ' N ' ' A' ' 9' ' ' THR . 0.0 OUTLIER -73.47 -67.26 0.6 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.613 -179.84 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 6' ' ' SER . 2.0 mt -36.92 -29.3 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.639 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.506 ' N ' ' O ' ' A' ' 6' ' ' SER . 0.8 OUTLIER -81.46 -44.49 17.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.622 179.741 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.538 ' N ' ' O ' ' A' ' 6' ' ' SER . 96.1 m -29.09 92.19 0.05 OUTLIER Pre-proline 0 C--O 1.236 0.383 0 O-C-N 124.032 0.833 . . . . 0.0 110.313 -179.787 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.492 ' N ' ' O ' ' A' ' 8' ' ' LEU . 46.6 Cg_exo -52.87 -23.98 22.68 Favored 'Trans proline' 0 N--CA 1.495 1.596 0 C-N-CA 122.811 2.34 . . . . 0.0 112.122 -178.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.97 -25.43 61.86 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.683 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 14' ' ' ASP . 27.4 m-20 -89.53 -44.78 9.87 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.515 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.1 tp -60.77 81.92 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.55 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 12' ' ' ASP . 0.1 OUTLIER -95.37 157.09 36.86 Favored Pre-proline 0 N--CA 1.451 -0.404 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.538 -179.599 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_endo -65.53 -31.7 50.33 Favored 'Trans proline' 0 C--N 1.308 -1.581 0 C-N-CA 122.828 2.352 . . . . 0.0 112.145 179.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.0 mp -66.05 -44.63 84.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.627 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 8.7 mm -66.79 -41.55 88.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.598 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.7 tp -55.95 -47.29 77.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.514 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.4 m -63.48 -48.5 77.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.568 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.4 mp -52.05 -44.83 64.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.579 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 67.0 m -65.22 -45.68 83.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.586 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.709 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.5 OUTLIER -54.0 -41.52 68.03 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.656 -179.851 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 53.4 mt -63.54 -46.26 95.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.449 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.15 -36.78 71.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.532 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.457 ' O ' HG23 ' A' ' 29' ' ' VAL . 89.2 t -72.84 -37.56 55.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.615 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.709 HG23 ' O ' ' A' ' 22' ' ' LEU . 90.2 t -57.75 -51.14 73.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.591 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.6 mp -61.85 -50.89 78.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.506 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.5 mp -51.33 -47.4 62.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.517 -179.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 25' ' ' VAL . 71.6 t -62.64 -45.06 99.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.525 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.5 mt -61.58 -42.56 99.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.591 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.42 -39.25 86.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.396 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.32 -41.16 90.07 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.424 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 40.3 t -55.42 -44.2 74.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.353 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.6 mt -66.72 -37.23 84.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.376 179.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -58.02 -44.65 87.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.493 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.6 mp -66.0 -42.28 89.96 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.569 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.1 mt -58.73 -44.32 90.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.554 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.5 m -61.43 -46.39 90.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.578 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 16.6 t-80 -59.52 -39.97 85.61 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.553 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 19.0 mtp85 -67.4 -42.98 82.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.583 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.75 -42.51 97.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.647 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.4 -53.33 44.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.563 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.2 tp -47.42 -40.84 18.87 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.58 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 18.7 tttt -70.05 -47.11 63.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.476 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -68.11 -11.83 59.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.578 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 75.5 tttt -86.02 -45.05 11.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.52 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.9 tt -87.15 -28.19 5.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.654 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 29.1 t-105 -134.31 69.96 73.3 Favored Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.415 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo . . . . . 0 C--N 1.305 -1.752 0 C-N-CA 122.646 2.231 . . . . 0.0 112.14 -179.79 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 tmm? . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 m -135.06 -70.06 0.5 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.591 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.679 ' CD ' ' H ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER -97.48 156.33 36.28 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.595 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -64.21 -60.43 0.15 Allowed 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.872 2.381 . . . . 0.0 112.112 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.5 p -166.0 -19.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.578 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.6 m -177.48 90.66 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.524 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -146.44 115.15 6.84 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.574 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.0 mt -64.9 178.77 0.76 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.592 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.94 154.0 67.31 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.578 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -66.57 -32.16 39.66 Favored 'Trans proline' 0 C--N 1.306 -1.687 0 C-N-CA 122.851 2.367 . . . . 0.0 112.103 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.2 m -78.45 -16.6 57.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.533 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -91.39 -36.55 13.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.603 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.6 tp -83.08 74.76 9.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.547 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.466 ' OD1' ' N ' ' A' ' 14' ' ' ASP . 0.0 OUTLIER -95.27 164.72 18.46 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.579 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_exo -43.12 -42.7 9.77 Favored 'Trans proline' 0 C--N 1.306 -1.684 0 C-N-CA 122.813 2.342 . . . . 0.0 112.148 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.7 tp -59.95 -51.11 71.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.554 -179.242 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.53 HD12 ' N ' ' A' ' 17' ' ' ILE . 1.5 mp -58.41 -34.08 49.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.576 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.79 -40.51 79.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.559 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 55.4 m -64.12 -37.51 87.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.539 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.4 mt -64.99 -46.65 80.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.599 179.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -55.12 -43.42 74.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.544 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.583 ' O ' HG23 ' A' ' 26' ' ' VAL . 4.0 mt -63.77 -46.15 86.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.593 -179.778 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 88.3 mt -59.65 -42.85 89.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.553 179.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.7 tp -66.6 -38.76 87.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.581 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.514 ' O ' HG23 ' A' ' 29' ' ' VAL . 3.4 t -60.59 -45.8 96.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.658 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 22' ' ' LEU . 39.1 t -60.61 -39.68 82.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.576 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 20.3 mt -65.46 -41.95 92.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.543 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.77 -46.86 86.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.544 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 25' ' ' VAL . 35.5 t -59.55 -43.43 90.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.615 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.63 -47.3 84.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.537 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.3 tp -55.29 -41.2 71.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.597 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.93 -47.8 81.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.495 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 29' ' ' VAL . 90.0 t -56.36 -43.42 77.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.552 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 tp -64.78 -38.41 90.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.588 179.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.87 -45.46 93.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.658 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.5 mp -62.95 -45.73 91.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.538 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.7 mt -59.57 -41.31 89.93 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.599 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.1 p -59.79 -46.93 87.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.545 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 5.7 m80 -54.92 -47.74 74.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.652 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 21.2 ttp180 -63.8 -43.9 94.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.527 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 21.2 mtp85 -60.85 -40.34 92.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.525 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.51 -41.57 98.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.577 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.533 ' O ' HD23 ' A' ' 43' ' ' LEU . 1.1 tt -60.84 -48.2 82.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.62 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.477 ' O ' ' N ' ' A' ' 48' ' ' TRP . 0.8 OUTLIER -57.32 -51.97 67.22 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.63 179.804 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -50.67 -43.92 57.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.538 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.16 -53.03 62.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.612 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 7.9 mm -86.35 5.68 3.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.619 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.477 ' N ' ' O ' ' A' ' 44' ' ' LYS . 53.0 t-105 -150.82 61.53 4.66 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.534 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 51.3 Cg_endo . . . . . 0 C--N 1.305 -1.754 0 C-N-CA 122.805 2.337 . . . . 0.0 112.131 179.904 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.0 ptt? . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.2 p -74.72 136.24 41.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.43 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.581 ' N ' ' CD ' ' A' ' 4' ' ' PRO . 0.1 OUTLIER -87.92 -45.48 0.48 Allowed Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.079 179.382 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.581 ' CD ' ' N ' ' A' ' 3' ' ' GLU . 52.7 Cg_endo -81.74 148.49 15.8 Favored 'Trans proline' 0 C--N 1.307 -1.645 0 C-N-CA 122.804 2.336 . . . . 0.0 112.355 -179.334 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.465 HG23 ' C ' ' A' ' 4' ' ' PRO . 2.0 t 63.91 16.39 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.405 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -143.1 -35.34 0.4 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.531 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -51.65 108.95 0.31 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.68 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.4 mt -64.84 174.82 1.7 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.473 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.7 p -133.92 75.43 67.0 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.614 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -55.07 -25.87 47.38 Favored 'Trans proline' 0 C--N 1.305 -1.752 0 C-N-CA 122.845 2.363 . . . . 0.0 112.088 179.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 78.5 p -56.75 -9.32 0.75 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.558 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 31.3 m-20 -145.13 -44.52 0.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.549 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.2 mp -64.27 85.02 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.692 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.22 157.9 33.21 Favored Pre-proline 0 C--O 1.236 0.351 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.507 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -64.59 -30.46 60.77 Favored 'Trans proline' 0 C--N 1.304 -1.776 0 C-N-CA 122.826 2.35 . . . . 0.0 112.083 179.596 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -71.54 -45.33 62.64 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.607 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.509 HD12 ' N ' ' A' ' 17' ' ' ILE . 1.6 mp -59.94 -40.05 81.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.398 179.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.6 -44.92 95.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.539 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 23.4 p -68.29 -38.76 81.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.481 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.4 mp -59.59 -41.2 89.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.529 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.543 ' O ' HG23 ' A' ' 25' ' ' VAL . 1.9 m -68.89 -45.91 69.74 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.613 -179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.405 HD23 ' O ' ' A' ' 22' ' ' LEU . 0.6 OUTLIER -54.2 -39.96 67.16 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.556 179.926 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 28.1 mt -70.98 -43.88 76.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.473 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.86 -41.87 88.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.506 -179.76 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 21' ' ' SER . 63.2 t -62.59 -52.27 61.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.421 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 41.5 t -51.18 -48.17 31.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.475 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 81.6 mt -60.46 -43.95 95.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.538 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.43 ' O ' ' OG1' ' A' ' 32' ' ' THR . 1.0 OUTLIER -56.57 -40.99 76.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.44 179.746 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 25' ' ' VAL . 48.7 t -62.13 -48.04 90.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.63 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.2 mp -57.36 -44.82 84.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.628 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.4 mp -59.96 -42.43 94.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.562 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.43 ' OG1' ' O ' ' A' ' 28' ' ' LEU . 0.1 OUTLIER -60.65 -49.49 77.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.566 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 86.5 t -56.68 -46.2 82.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.519 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.0 tp -62.07 -29.93 70.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.583 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.65 -54.43 10.41 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.584 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.2 mt -57.37 -37.74 73.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.588 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.472 ' O ' HD23 ' A' ' 37' ' ' LEU . 0.9 OUTLIER -61.79 -47.16 86.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.638 -179.865 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.7 t -62.89 -45.57 91.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.615 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.415 ' CD2' ' C ' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -59.27 -43.59 92.49 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.517 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 16.6 mmt180 -61.28 -40.62 94.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.64 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 5.4 ttt-85 -65.27 -42.31 93.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.534 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.14 -49.56 77.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.446 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' A' ' 43' ' ' LEU . 1.6 mm? -58.81 -40.84 85.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.803 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 53.0 tttm -58.08 -50.21 74.26 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.611 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -65.05 -31.36 72.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.63 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -65.49 -40.73 93.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.651 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 88.2 mt -76.13 -40.57 37.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.517 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -69.57 157.98 88.13 Favored Pre-proline 0 N--CA 1.453 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.583 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo . . . . . 0 C--N 1.306 -1.705 0 C-N-CA 122.815 2.343 . . . . 0.0 112.085 179.443 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.1 mmt . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -175.85 91.32 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.625 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.444 ' N ' ' CD ' ' A' ' 4' ' ' PRO . 59.2 mt-10 -145.95 54.44 2.26 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.531 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.444 ' CD ' ' N ' ' A' ' 3' ' ' GLU . 35.4 Cg_endo -66.75 109.04 1.56 Allowed 'Trans proline' 0 C--N 1.304 -1.785 0 C-N-CA 122.945 2.43 . . . . 0.0 112.093 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 34.6 m -79.61 12.62 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.638 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 t -65.22 -8.84 19.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.593 -179.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.435 ' O ' ' O ' ' A' ' 8' ' ' LEU . 1.7 tp -67.43 -24.65 65.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.544 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.435 ' O ' ' O ' ' A' ' 7' ' ' LEU . 5.0 mp 51.22 175.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.625 179.181 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -144.35 77.02 14.36 Favored Pre-proline 0 C--N 1.327 -0.382 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.54 179.479 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -52.82 -40.93 73.36 Favored 'Trans proline' 0 C--N 1.305 -1.741 0 C-N-CA 122.837 2.358 . . . . 0.0 112.125 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -46.42 -38.19 8.69 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.585 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -95.24 -39.98 9.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.561 -179.601 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.419 ' HA ' HD13 ' A' ' 13' ' ' LEU . 2.3 mm? -74.08 83.61 1.79 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.568 179.319 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -56.22 153.57 18.54 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.59 179.253 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_endo -62.18 -19.65 67.33 Favored 'Trans proline' 0 C--N 1.305 -1.729 0 C-N-CA 122.873 2.382 . . . . 0.0 112.112 -179.204 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 5.6 tp -64.47 -32.62 74.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.588 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 13.0 mm -64.48 -48.67 84.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.567 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.8 mp -59.05 -41.33 87.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.613 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.4 m -68.93 -37.01 78.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.551 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.9 tp -58.98 -48.27 82.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.561 179.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.78 -46.02 87.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.639 -179.733 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -55.68 -42.08 74.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.588 -179.633 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 57.8 mt -69.1 -41.06 81.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.608 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.5 mt -58.81 -46.38 87.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.543 179.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 95.4 t -60.11 -44.5 95.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.564 -179.263 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 16.2 t -62.14 -43.84 98.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.58 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.5 mm -56.28 -41.75 71.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.578 179.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.45 -49.18 70.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.504 179.795 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.454 ' O ' HG23 ' A' ' 33' ' ' VAL . 96.8 t -59.44 -40.06 80.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.513 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.2 tp -62.32 -45.69 92.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.544 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.0 tp -57.08 -41.93 79.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.542 -179.551 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.33 -43.47 97.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.613 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 29' ' ' VAL . 82.7 t -56.28 -46.19 81.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.523 179.752 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.0 mp -64.96 -38.99 92.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.562 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.32 -48.71 80.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.581 -179.467 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.8 mp -63.06 -45.14 93.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.599 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.7 tp -59.4 -43.13 93.02 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.66 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.6 -48.68 80.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.557 179.502 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 56.7 t60 -59.88 -42.37 93.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.522 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.5 tpt180 -61.19 -43.96 98.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.696 -179.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 8.7 mmm-85 -64.75 -40.34 95.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.585 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.09 -42.02 94.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.492 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.55 -34.71 78.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.607 -179.088 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' A' ' 48' ' ' TRP . 24.2 tttp -66.55 -49.77 65.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.565 179.738 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -54.75 -43.15 72.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.515 179.508 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.0 mmtm -58.7 -47.68 83.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.598 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.419 HD13 HG21 ' A' ' 47' ' ' ILE . 4.9 tt -90.11 5.25 5.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.544 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.464 ' N ' ' O ' ' A' ' 44' ' ' LYS . 7.4 t90 -152.14 73.64 7.68 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.559 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo . . . . . 0 C--N 1.304 -1.804 0 C-N-CA 122.916 2.411 . . . . 0.0 112.069 -179.508 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.615 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.3 t 47.14 29.96 1.27 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.426 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -137.74 70.29 51.4 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.436 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -51.58 129.49 29.83 Favored 'Trans proline' 0 C--N 1.305 -1.759 0 C-N-CA 122.859 2.372 . . . . 0.0 112.158 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 6.4 m -72.89 3.78 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.66 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.6 p -122.22 10.91 10.04 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.532 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -157.02 108.28 2.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.636 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -91.81 179.43 5.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.375 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -126.9 161.78 51.46 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.648 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 68.1 Cg_exo -41.54 -36.28 2.93 Favored 'Trans proline' 0 C--N 1.308 -1.572 0 C-N-CA 122.825 2.35 . . . . 0.0 112.264 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.5 t -45.36 -41.38 8.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.639 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -98.59 -40.66 8.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.678 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.5 tp -75.57 76.0 2.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.537 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.38 154.72 37.47 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.552 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -64.59 -29.26 60.99 Favored 'Trans proline' 0 C--N 1.308 -1.587 0 C-N-CA 122.791 2.327 . . . . 0.0 112.101 179.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 26.8 mt -65.81 -52.71 48.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.594 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.2 mm -61.54 -35.52 67.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.323 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -59.4 -45.84 90.37 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.66 -179.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 22.6 p -66.65 -41.72 87.8 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.466 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.1 -39.34 85.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.579 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.695 ' O ' HG23 ' A' ' 25' ' ' VAL . 2.7 m -62.64 -46.63 87.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.524 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.532 ' O ' HG23 ' A' ' 26' ' ' VAL . 3.6 mp -57.59 -43.2 84.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.553 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.4 mm -65.05 -51.6 64.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.576 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -54.62 -39.15 67.65 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.469 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.695 HG23 ' O ' ' A' ' 21' ' ' SER . 75.6 t -60.95 -44.7 98.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.637 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 22' ' ' LEU . 86.4 t -55.98 -43.04 73.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.554 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.426 HD12 ' N ' ' A' ' 27' ' ' ILE . 1.6 mp -70.43 -44.69 77.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.452 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.3 tt -54.69 -41.65 70.49 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.606 -179.676 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.532 ' O ' HG23 ' A' ' 33' ' ' VAL . 94.8 t -65.95 -51.24 63.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.579 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.49 -32.73 67.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.478 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.13 -45.98 82.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.632 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -65.07 -38.49 90.98 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.632 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 29' ' ' VAL . 59.4 t -59.54 -46.18 93.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.305 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 4.1 mp -64.36 -31.44 72.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.428 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -71.78 -44.61 63.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.69 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.94 -41.83 88.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.549 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.4 mp -62.21 -45.65 92.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.585 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 74.4 m -59.59 -45.32 92.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.441 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -59.23 -37.8 78.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.536 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.37 -53.64 49.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.529 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 64.8 mtp180 -56.23 -41.33 75.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.455 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -62.86 -47.73 82.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.676 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.83 -43.65 81.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.701 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 16.6 mttp -63.94 -44.2 93.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.558 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -60.46 -36.71 78.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.618 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 28.7 mttt -69.79 -39.99 76.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.634 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 67.2 mt -69.86 -39.37 77.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.654 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 22.4 t90 -133.31 71.91 75.97 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.66 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_endo . . . . . 0 C--N 1.306 -1.7 0 C-N-CA 122.931 2.42 . . . . 0.0 112.208 -179.956 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.0 ptm . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.6 t -165.95 -0.6 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.554 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -136.73 66.69 56.95 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.054 0.454 . . . . 0.0 110.592 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -76.21 -41.37 0.49 Allowed 'Trans proline' 0 C--N 1.308 -1.585 0 C-N-CA 122.774 2.316 . . . . 0.0 112.103 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 34.7 m -55.97 -14.81 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.562 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.43 ' OG ' ' N ' ' A' ' 7' ' ' LEU . 19.3 p -101.11 -56.28 2.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.486 -179.764 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.43 ' N ' ' OG ' ' A' ' 6' ' ' SER . 1.1 tp -39.68 132.96 1.58 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.611 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.0 mt -86.33 126.77 34.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.722 -179.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.426 ' O ' ' N ' ' A' ' 11' ' ' SER . 0.2 OUTLIER -75.63 164.26 61.9 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.662 -179.902 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.433 ' C ' ' N ' ' A' ' 12' ' ' ASP . 66.3 Cg_exo -41.53 -22.93 0.18 Allowed 'Trans proline' 0 C--N 1.309 -1.527 0 C-N-CA 122.752 2.301 . . . . 0.0 112.296 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.426 ' N ' ' O ' ' A' ' 9' ' ' THR . 0.9 OUTLIER -50.11 -14.65 0.16 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.604 179.857 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.433 ' N ' ' C ' ' A' ' 10' ' ' PRO . 0.5 OUTLIER -148.13 -41.28 0.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.54 179.859 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.5 tp -61.75 95.85 0.06 Allowed 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.043 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -117.11 97.24 50.52 Favored Pre-proline 0 CA--C 1.532 0.26 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.295 179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.535 ' O ' HG23 ' A' ' 19' ' ' THR . 52.5 Cg_exo -53.36 -18.02 10.07 Favored 'Trans proline' 0 N--CA 1.492 1.402 0 C-N-CA 122.857 2.371 . . . . 0.0 111.926 179.474 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.6 mp -75.08 -57.96 3.58 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.499 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 75.7 mt -58.79 -31.85 45.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.381 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -66.39 -50.02 64.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.709 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.535 HG23 ' O ' ' A' ' 15' ' ' PRO . 31.8 p -59.09 -39.41 82.12 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.509 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.46 HD23 ' O ' ' A' ' 20' ' ' LEU . 0.9 OUTLIER -62.08 -48.5 79.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.615 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.626 ' O ' HG23 ' A' ' 25' ' ' VAL . 2.8 m -62.98 -36.59 84.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.321 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.16 -48.85 79.71 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.617 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 31.2 mt -61.34 -37.4 77.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.541 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.6 mt -66.25 -40.82 90.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.564 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 21' ' ' SER . 99.1 t -67.3 -37.05 78.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.426 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 24.4 t -65.55 -41.18 90.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.543 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 86.8 mt -62.74 -44.62 99.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.633 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.498 HD23 ' O ' ' A' ' 28' ' ' LEU . 1.1 tt -57.14 -49.11 76.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.497 -179.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 25' ' ' VAL . 42.7 t -57.12 -42.53 79.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.346 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -59.47 -43.94 93.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.639 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.6 tp -62.65 -44.81 95.32 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.231 179.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -58.41 -46.54 86.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.609 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 53.7 t -55.66 -42.89 71.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.467 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.1 mp -64.26 -39.41 93.89 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.459 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.14 -41.0 95.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.564 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.5 mp -64.41 -41.1 96.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.526 -179.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -63.7 -35.46 80.64 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.565 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.6 p -68.24 -47.48 67.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.669 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 4.1 m80 -58.25 -44.59 88.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.401 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.515 HH11 ' CG ' ' A' ' 40' ' ' ARG . 0.1 OUTLIER -58.25 -44.92 88.53 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.535 179.888 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.07 -49.46 77.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.577 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.82 -45.39 86.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.523 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.09 -45.25 89.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.612 -179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.2 tptt -55.92 -38.88 70.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.531 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -70.77 -48.49 54.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.581 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.7 tttm -58.8 -31.68 68.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.526 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 31.1 mt -70.43 -53.57 22.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.555 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 37.1 t-105 -134.74 72.84 68.36 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.467 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo . . . . . 0 C--N 1.305 -1.738 0 C-N-CA 122.734 2.29 . . . . 0.0 112.075 -179.943 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 ttt . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.02 16.18 2.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.554 179.786 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -145.64 65.72 11.48 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.624 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -46.47 109.92 0.24 Allowed 'Trans proline' 0 C--N 1.304 -1.797 0 C-N-CA 122.809 2.339 . . . . 0.0 112.192 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -86.4 22.07 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.605 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.435 ' O ' ' O ' ' A' ' 7' ' ' LEU . 25.6 p 55.38 26.16 8.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.544 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.435 ' O ' ' O ' ' A' ' 6' ' ' SER . 1.0 OUTLIER 57.27 156.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.568 -179.846 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.606 HD12 ' N ' ' A' ' 8' ' ' LEU . 9.8 mp -87.75 152.45 22.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.493 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.5 m -148.01 76.9 10.3 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.581 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -52.93 -17.85 8.36 Favored 'Trans proline' 0 C--N 1.304 -1.801 0 C-N-CA 122.836 2.357 . . . . 0.0 112.108 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.53 -16.96 11.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.541 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.475 ' O ' ' N ' ' A' ' 14' ' ' ASP . 60.2 m-20 -147.07 -38.54 0.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.605 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.401 HD13 ' HA ' ' A' ' 13' ' ' LEU . 2.8 mm? -46.02 92.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.576 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.475 ' N ' ' O ' ' A' ' 12' ' ' ASP . 0.2 OUTLIER -105.49 161.23 23.42 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.534 -179.756 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -43.28 -38.11 7.72 Favored 'Trans proline' 0 C--N 1.305 -1.718 0 C-N-CA 122.887 2.391 . . . . 0.0 112.096 179.458 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.17 -59.27 5.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.614 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 33.8 mt -58.97 -32.28 47.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.517 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.4 tp -62.97 -52.4 63.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.566 -179.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 29.9 m -64.62 -37.73 88.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.565 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.57 -48.26 75.07 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.563 179.521 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.5 m -62.34 -42.41 99.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.619 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.543 ' O ' HG23 ' A' ' 26' ' ' VAL . 4.5 tp -58.21 -44.51 88.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.512 179.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 97.3 mt -67.86 -38.45 80.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.598 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.3 tp -60.39 -42.12 95.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.579 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 44.6 t -64.91 -49.11 81.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.591 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 22' ' ' LEU . 61.2 t -53.49 -45.46 58.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.53 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 77.6 mt -60.32 -49.38 84.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.563 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -51.27 -45.31 62.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.578 179.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.54 ' O ' HG23 ' A' ' 33' ' ' VAL . 58.5 t -61.95 -49.6 83.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.596 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.433 HD13 ' HA ' ' A' ' 30' ' ' LEU . 2.2 mm? -60.82 -34.73 74.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.552 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.95 -51.13 69.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.594 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -61.61 -37.57 84.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.514 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 29' ' ' VAL . 70.1 t -59.9 -43.71 92.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.574 -179.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.33 -34.3 75.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.522 179.579 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.17 -49.12 63.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.553 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.4 mt -54.19 -46.61 72.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.565 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 mt -59.39 -48.85 80.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.564 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.4 m -60.39 -42.95 96.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.583 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -62.45 -42.82 99.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.527 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 7.3 ttm180 -61.41 -39.79 92.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.571 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 -61.89 -51.2 69.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.555 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -57.26 -38.64 74.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.507 179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.33 -40.79 81.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.568 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.8 mtpm? -63.17 -45.32 92.35 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.555 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 49' ' ' PRO . 25.1 mt-30 -57.16 -48.04 79.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.626 179.786 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.1 tptt -59.48 -43.63 93.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.548 -179.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 36.8 mt -65.28 -46.47 90.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.536 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 31.6 t-105 -138.34 74.05 42.09 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.581 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.439 ' N ' ' O ' ' A' ' 45' ' ' GLN . 50.9 Cg_exo . . . . . 0 C--N 1.305 -1.729 0 C-N-CA 122.843 2.362 . . . . 0.0 112.206 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.1 mmt . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 t -154.48 4.23 0.24 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.557 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -142.65 61.92 11.9 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.627 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -75.47 22.81 0.44 Allowed 'Trans proline' 0 C--N 1.306 -1.679 0 C-N-CA 122.76 2.307 . . . . 0.0 112.089 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 10.4 t 45.84 78.57 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.514 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 m -139.18 14.44 2.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.568 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.8 mt -52.12 177.53 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.602 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.8 mt -70.43 86.22 0.61 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.724 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 16.4 m -151.3 75.47 7.99 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.454 179.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 34.9 Cg_exo -55.02 -34.58 87.53 Favored 'Trans proline' 0 C--N 1.307 -1.65 0 C-N-CA 122.8 2.334 . . . . 0.0 112.095 179.582 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.5 m -59.23 -27.44 65.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.685 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.28 -43.79 11.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.569 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 6.3 mp -60.49 94.6 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.303 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -125.15 96.3 39.9 Favored Pre-proline 0 CA--C 1.534 0.345 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.414 179.556 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_exo -55.87 -16.17 15.14 Favored 'Trans proline' 0 N--CA 1.496 1.647 0 C-N-CA 122.654 2.236 . . . . 0.0 112.11 179.085 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.0 mp -54.36 -39.9 67.57 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.662 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.415 HG21 HD13 ' A' ' 17' ' ' ILE . 15.8 mt -57.54 -52.05 62.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.588 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.46 -37.53 83.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.474 -179.757 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.8 m -65.37 -46.6 79.5 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.405 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.3 mt -63.59 -44.7 93.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.709 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -58.07 -45.71 86.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.346 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.506 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.6 OUTLIER -55.2 -45.43 75.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.62 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.6 mm -61.52 -46.98 95.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.487 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.01 -40.93 86.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.427 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 48.9 t -65.82 -47.62 85.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.568 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 22' ' ' LEU . 77.5 t -56.75 -44.89 82.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.434 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 80.1 mt -60.86 -48.36 89.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.544 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.9 tp -53.72 -45.65 70.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.604 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 69.2 t -63.54 -44.54 98.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.579 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.9 tp -61.48 -42.15 98.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.47 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.07 -43.12 99.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.423 -179.754 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -57.94 -46.34 85.22 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.535 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 80.2 t -56.75 -41.73 75.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.315 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.3 mp -67.91 -38.47 82.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.573 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.86 -40.86 95.82 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.643 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.69 -46.73 81.14 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.518 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.86 -41.48 74.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.485 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.31 -39.83 85.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.476 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 57.6 t-80 -63.19 -36.68 84.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.646 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 63.6 ttt-85 -66.79 -48.78 67.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.554 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 10.0 mmm-85 -59.49 -32.4 70.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.545 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -71.86 -43.07 66.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.559 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.4 tp -55.4 -43.32 75.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.449 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 48' ' ' TRP . 2.0 mmmm -67.86 -48.45 66.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.423 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -61.03 -21.86 64.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.525 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.1 ttpt -81.07 -47.23 13.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.516 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.1 tp -83.43 -14.76 11.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.645 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.426 ' N ' ' O ' ' A' ' 44' ' ' LYS . 31.2 t90 -135.65 70.67 65.71 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.527 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo . . . . . 0 C--N 1.306 -1.693 0 C-N-CA 122.797 2.332 . . . . 0.0 112.114 179.973 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.402 ' O ' ' SD ' ' A' ' 1' ' ' MET . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -106.06 134.53 49.04 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.632 -179.772 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 53.5 59.9 12.36 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-O 121.065 0.459 . . . . 0.0 110.653 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_endo -74.44 -29.79 8.89 Favored 'Trans proline' 0 C--N 1.305 -1.715 0 C-N-CA 122.665 2.243 . . . . 0.0 111.959 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 8.4 p -61.54 -28.93 45.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.539 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -96.42 -28.46 14.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.697 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.0 tp -73.47 -45.19 55.61 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.629 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 56.44 97.93 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.856 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -136.2 160.16 68.09 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.607 -179.639 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -70.51 -28.42 21.64 Favored 'Trans proline' 0 C--N 1.307 -1.63 0 C-N-CA 122.735 2.29 . . . . 0.0 112.038 179.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.3 m -75.03 0.66 15.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.802 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -115.55 -39.22 3.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.518 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -47.47 98.61 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.823 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.432 ' H ' HD12 ' A' ' 17' ' ' ILE . 0.2 OUTLIER -116.02 161.33 31.49 Favored Pre-proline 0 N--CA 1.454 -0.24 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.855 -179.77 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_exo -42.27 -37.4 4.87 Favored 'Trans proline' 0 C--N 1.305 -1.742 0 C-N-CA 122.782 2.321 . . . . 0.0 112.305 179.336 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' A' ' 16' ' ' LEU . 3.2 mm? -61.09 -56.34 22.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.769 -179.796 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.432 HD12 ' H ' ' A' ' 14' ' ' ASP . 75.0 mt -57.78 -28.93 33.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.546 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.82 -51.94 42.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.482 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 44.1 p -60.21 -36.79 78.47 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.468 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.1 tp -62.14 -48.64 79.22 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.768 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.556 ' O ' HG23 ' A' ' 25' ' ' VAL . 0.5 OUTLIER -63.87 -41.54 97.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.471 179.919 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.2 mp -60.92 -45.97 92.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.626 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.4 mm -61.9 -43.54 97.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.545 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.44 -45.52 88.35 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.766 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 21' ' ' SER . 99.3 t -59.91 -46.55 93.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.592 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 57.7 t -58.9 -38.98 76.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.571 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.7 mm -71.67 -34.27 51.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.62 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -59.14 -52.64 64.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.583 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 28.2 m -66.04 -33.73 65.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.507 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 4.8 tp -64.77 -46.09 83.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.331 -179.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.8 mt -60.45 -48.35 82.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.609 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -55.87 -48.62 75.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.588 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 43.0 t -54.63 -38.99 44.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.419 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -68.6 -40.25 80.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.698 179.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.42 -37.68 88.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.59 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.8 -45.95 87.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.472 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.7 mt -61.43 -45.65 93.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.74 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 41.7 t -58.0 -48.35 80.29 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.644 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -59.9 -51.2 70.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.554 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 41.6 ttt180 -52.91 -37.83 61.12 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.511 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 18.5 ttm-85 -63.69 -52.3 61.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.598 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.31 -33.24 73.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.52 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.4 mp -62.73 -43.73 98.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.619 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.7 ttpt -65.84 -38.69 89.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.579 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -64.95 -35.75 82.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.57 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.7 ttmm -68.43 -38.29 81.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.594 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.405 ' O ' HG22 ' A' ' 47' ' ' ILE . 72.2 mt -83.89 -15.42 11.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.625 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 28.9 m95 -149.25 67.96 9.19 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.638 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo . . . . . 0 C--N 1.306 -1.71 0 C-N-CA 122.799 2.333 . . . . 0.0 112.178 -179.885 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.3 ttt . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.408 ' H ' ' H ' ' A' ' 3' ' ' GLU . 8.4 m -159.71 -12.55 0.06 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.606 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.408 ' H ' ' H ' ' A' ' 2' ' ' SER . 68.1 mt-10 -137.15 64.81 49.08 Favored Pre-proline 0 C--N 1.33 -0.248 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.537 179.713 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -77.86 122.58 5.91 Favored 'Trans proline' 0 C--N 1.304 -1.769 0 C-N-CA 122.736 2.291 . . . . 0.0 112.12 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 78.4 t -89.85 -56.72 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.593 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 p -53.97 -76.42 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.508 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.5 tp 47.1 20.24 0.12 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.528 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.2 mt -135.03 118.46 16.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.535 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.9 p -139.05 73.89 37.72 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.569 -179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -72.77 -40.48 1.94 Allowed 'Trans proline' 0 C--N 1.305 -1.732 0 C-N-CA 122.806 2.337 . . . . 0.0 112.193 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.3 t -50.91 -27.07 6.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.57 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.31 -44.81 6.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.619 -179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -65.14 90.06 0.09 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.594 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -119.21 94.84 48.81 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.514 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -51.17 -15.36 2.07 Favored 'Trans proline' 0 C--N 1.305 -1.723 0 C-N-CA 122.802 2.334 . . . . 0.0 112.085 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.96 -37.05 71.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.557 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.427 HG23 ' N ' ' A' ' 18' ' ' LEU . 18.6 tt -69.91 -37.6 73.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.588 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.427 ' N ' HG23 ' A' ' 17' ' ' ILE . 0.9 OUTLIER -62.0 -42.2 98.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.588 179.83 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.0 m -66.64 -41.83 87.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.533 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.401 HD13 ' HA ' ' A' ' 20' ' ' LEU . 1.1 mm? -57.18 -48.34 78.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.595 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.646 ' O ' HG23 ' A' ' 25' ' ' VAL . 0.4 OUTLIER -59.72 -42.28 92.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.556 -179.92 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.617 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.5 OUTLIER -62.31 -45.52 92.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.595 -179.879 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 54.6 mt -62.72 -44.71 99.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.494 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.4 tp -56.43 -47.61 78.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.567 179.627 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.646 HG23 ' O ' ' A' ' 21' ' ' SER . 47.5 t -61.31 -37.49 77.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.535 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 22' ' ' LEU . 86.5 t -64.82 -39.0 84.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.588 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 81.7 mt -63.87 -48.3 86.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.547 179.643 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -56.52 -42.81 79.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.495 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.672 ' O ' HG23 ' A' ' 33' ' ' VAL . 38.9 t -63.66 -45.23 98.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.584 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 5.7 tp -65.53 -37.03 85.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.612 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.1 tp -59.79 -44.14 94.09 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.55 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.95 -37.03 83.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.51 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.672 HG23 ' O ' ' A' ' 29' ' ' VAL . 97.1 t -61.36 -45.89 97.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.58 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 10.0 mt -65.8 -32.24 73.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.62 179.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.51 -43.02 81.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.55 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.25 -36.83 84.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.619 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.1 tp -61.05 -43.82 98.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.558 -179.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.0 m -68.4 -43.92 76.22 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.471 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -54.51 -45.13 73.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.529 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 27.0 ttp180 -66.4 -46.13 77.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.515 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.477 HH11 ' CG ' ' A' ' 41' ' ' ARG . 0.0 OUTLIER -55.67 -43.76 76.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.595 179.905 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.71 -42.93 98.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.642 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.8 mt -63.19 -42.56 99.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.583 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -57.97 -44.04 86.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.612 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 15.4 mm-40 -63.18 -42.86 99.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.499 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.2 tttt -64.54 -36.6 84.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.55 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.41 ' O ' HG22 ' A' ' 47' ' ' ILE . 69.0 mt -81.75 -15.08 12.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.581 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 29.2 t90 -166.31 76.61 1.16 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.544 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo . . . . . 0 C--N 1.305 -1.756 0 C-N-CA 122.83 2.354 . . . . 0.0 112.165 -179.997 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.7 mtt . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.1 p -102.11 113.96 27.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.424 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -104.71 155.06 38.04 Favored Pre-proline 0 C--N 1.331 -0.2 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.804 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -67.35 -53.4 0.48 Allowed 'Trans proline' 0 N--CA 1.494 1.53 0 C-N-CA 122.688 2.258 . . . . 0.0 112.32 179.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.3 p -57.09 -33.17 42.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.467 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.4 t -73.92 -44.05 56.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.348 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 7' ' ' LEU . 0.8 OUTLIER -55.6 -42.48 74.89 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.764 -179.395 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 29.6 mt -110.09 104.56 13.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.433 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.36 164.27 20.59 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.427 -179.769 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -43.31 -34.81 4.91 Favored 'Trans proline' 0 C--N 1.311 -1.406 0 C-N-CA 122.673 2.249 . . . . 0.0 112.36 179.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.0 p -74.64 -33.49 62.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.584 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.13 -35.08 73.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.677 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.4 mp -60.22 98.63 0.06 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.62 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -100.96 159.77 28.58 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.613 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -62.71 -17.67 60.17 Favored 'Trans proline' 0 N--CA 1.494 1.518 0 C-N-CA 122.885 2.39 . . . . 0.0 112.055 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.1 mp -55.78 -34.56 65.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.511 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.42 ' CG2' ' N ' ' A' ' 18' ' ' LEU . 3.2 tp -70.1 -37.91 73.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.633 179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.444 ' O ' HD23 ' A' ' 18' ' ' LEU . 0.8 OUTLIER -59.69 -44.32 93.69 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.492 -179.57 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 75.8 p -64.23 -47.65 78.84 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.5 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.7 tt -53.74 -42.21 67.9 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.48 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.7 m -65.78 -40.24 91.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.579 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.47 -49.91 73.26 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.023 0.44 . . . . 0.0 110.554 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.6 mp -61.47 -40.81 87.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.331 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 2.7 mp -60.72 -45.93 92.36 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.81 -179.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 28.8 t -56.49 -40.01 65.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.348 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 67.9 t -66.53 -46.35 86.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.402 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.3 mt -59.71 -37.16 69.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.288 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.0 tp -60.0 -52.98 63.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.686 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 74.5 t -58.59 -44.82 90.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.425 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -60.76 -40.68 93.38 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.54 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.1 mt -58.68 -42.8 89.36 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.425 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.69 -44.93 94.98 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.59 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.4 t -56.82 -45.63 83.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.027 0.442 . . . . 0.0 110.239 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.04 -35.74 82.15 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.477 -179.728 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.77 -42.5 81.64 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.207 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.2 mt -61.75 -37.48 84.42 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.371 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.9 mt -65.38 -46.69 79.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.437 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -62.66 -38.85 91.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.448 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 70.3 t60 -63.55 -47.86 79.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.69 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.89 -45.87 74.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.561 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -58.97 -42.03 88.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.589 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -61.13 -43.73 98.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.547 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.18 -47.37 75.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.596 -179.706 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.7 mmtp -68.46 -41.97 79.42 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.411 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -65.2 -20.06 66.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.709 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.7 mttp -83.51 -39.39 20.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.585 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.4 tp -91.4 -9.28 10.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.569 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.542 ' O ' ' CG ' ' A' ' 48' ' ' TRP . 23.8 t90 -147.68 65.07 8.94 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.139 0.495 . . . . 0.0 110.46 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.304 -1.776 0 C-N-CA 122.525 2.15 . . . . 0.0 112.086 -179.969 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.5 mtt . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.3 p -176.5 -102.56 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.65 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -158.96 61.5 1.9 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.483 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -74.42 86.46 1.33 Allowed 'Trans proline' 0 C--N 1.307 -1.627 0 C-N-CA 122.839 2.359 . . . . 0.0 112.223 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.421 ' H ' HG22 ' A' ' 5' ' ' VAL . 2.4 m -63.78 177.15 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.578 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -67.66 -27.23 66.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.712 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.9 tp -50.69 -28.07 8.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.338 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 35.5 mt -97.9 174.84 6.38 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.472 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 5.8 m -151.2 78.44 7.15 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.497 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -54.39 -22.43 27.02 Favored 'Trans proline' 0 C--N 1.306 -1.674 0 C-N-CA 122.78 2.32 . . . . 0.0 112.12 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.73 -24.17 66.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.659 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -106.21 -45.99 4.17 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.546 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.3 mp -64.04 95.7 0.13 Allowed 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.619 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -88.31 163.96 34.7 Favored Pre-proline 0 C--N 1.327 -0.378 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.913 -179.671 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -47.2 -43.38 25.83 Favored 'Trans proline' 0 C--N 1.311 -1.41 0 C-N-CA 122.511 2.14 . . . . 0.0 112.301 179.489 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.5 mp -58.26 -59.59 5.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.562 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 64.4 mt -57.06 -40.8 75.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.451 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.4 tp -59.64 -47.41 85.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.582 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 99.0 m -64.93 -41.89 95.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.765 -179.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.6 tp -63.35 -38.96 93.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.625 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.6 m -63.22 -44.42 95.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.434 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.686 ' O ' HG23 ' A' ' 26' ' ' VAL . 0.9 OUTLIER -58.41 -44.22 88.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.58 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 86.7 mt -63.33 -43.75 98.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.557 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.4 -41.76 97.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.589 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 74.4 t -70.33 -36.79 68.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.531 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.686 HG23 ' O ' ' A' ' 22' ' ' LEU . 69.5 t -65.17 -38.01 81.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.424 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 13.8 mt -65.52 -48.5 82.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.536 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.5 tp -57.92 -49.94 75.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.569 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.5 t -62.01 -44.06 98.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.47 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -57.62 -40.73 79.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.562 -179.662 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.3 mp -62.52 -48.23 80.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.628 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -55.75 -40.4 72.49 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.589 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 50.6 t -59.28 -50.71 78.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.54 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 7.1 mt -61.55 -30.16 70.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.563 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.6 -52.27 53.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.69 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.7 mt -64.71 -39.25 93.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.616 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.4 -45.31 72.89 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.567 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.4 t -68.68 -45.54 71.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.555 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 17.1 t-80 -54.54 -41.76 70.13 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.557 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.31 -44.12 79.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.614 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 -57.08 -40.52 77.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.669 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.36 -41.99 72.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.529 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.434 ' O ' HG22 ' A' ' 47' ' ' ILE . 0.5 OUTLIER -60.14 -38.77 84.12 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.652 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 26.6 tttm -69.86 -56.44 7.09 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.75 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -65.26 -7.32 12.57 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.662 -179.67 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 25.0 tttp -91.98 -46.55 7.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.446 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.434 HG22 ' O ' ' A' ' 43' ' ' LEU . 12.0 tt -81.25 -25.94 10.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.551 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . 0.496 ' O ' ' CD1' ' A' ' 48' ' ' TRP . 74.5 t-105 -137.93 66.49 47.58 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.608 -179.761 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_exo . . . . . 0 C--N 1.304 -1.779 0 C-N-CA 122.841 2.36 . . . . 0.0 112.059 179.871 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.5 ttt . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.3 t 42.41 92.69 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.526 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -135.63 62.04 46.33 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.5 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -74.6 -36.29 3.01 Favored 'Trans proline' 0 C--N 1.305 -1.74 0 C-N-CA 122.672 2.248 . . . . 0.0 112.18 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.9 m -62.2 -10.18 4.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.648 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.1 t -115.93 -37.67 3.83 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.589 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.2 mp -98.84 157.69 16.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.8 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.5 HD12 ' N ' ' A' ' 8' ' ' LEU . 10.0 mp -77.85 103.76 7.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.498 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 17.1 p -137.05 75.64 47.26 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.397 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -50.3 -23.58 10.29 Favored 'Trans proline' 0 C--N 1.306 -1.673 0 C-N-CA 122.807 2.338 . . . . 0.0 112.125 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 28.9 t -69.07 -16.24 63.64 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.627 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.99 -37.35 6.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.626 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.6 tp -83.0 84.13 7.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.646 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -105.09 165.01 13.95 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.805 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 66.9 Cg_exo -42.82 -41.3 8.6 Favored 'Trans proline' 0 C--N 1.309 -1.508 0 C-N-CA 122.647 2.231 . . . . 0.0 112.199 179.639 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.2 mt -60.58 -49.58 76.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.488 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.8 mm -59.87 -41.21 85.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.468 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.51 -48.66 80.79 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.443 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 81.7 m -55.51 -43.55 75.8 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.56 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.4 tp -60.68 -43.52 97.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.518 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.558 ' O ' HG23 ' A' ' 25' ' ' VAL . 3.0 m -67.48 -38.41 84.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.616 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 1.4 tp -60.45 -46.68 89.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.467 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.9 mm -59.55 -43.91 91.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.452 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.27 -43.33 99.05 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.585 -179.62 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.558 HG23 ' O ' ' A' ' 21' ' ' SER . 92.8 t -63.73 -43.7 98.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.432 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 51.2 t -56.42 -50.94 70.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.596 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 16.0 mt -55.9 -42.43 71.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.378 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.99 -49.06 74.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.667 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 43.8 t -66.01 -42.41 91.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.606 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.19 -43.78 98.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.647 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.563 HD23 ' O ' ' A' ' 31' ' ' LEU . 1.1 tt -60.04 -45.01 94.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.53 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -57.44 -46.79 83.19 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.577 -179.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 67.2 t -54.73 -49.13 70.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.473 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.5 mt -56.4 -39.06 72.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.425 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.64 -52.63 56.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.619 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.0 tp -59.42 -37.33 77.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.467 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' A' ' 37' ' ' LEU . 1.1 mm? -64.28 -46.14 84.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.705 -179.745 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.9 t -58.01 -39.99 79.67 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.481 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -66.02 -43.13 88.53 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.673 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.17 -42.0 85.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.604 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 48.4 ttp180 -55.12 -45.64 75.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.531 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -65.89 -51.07 61.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.508 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.9 mp -47.52 -41.47 21.14 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.626 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.2 mttm -68.13 -53.38 25.62 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.602 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -64.46 -15.39 60.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.604 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 29.6 mmtt -78.22 -46.21 21.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.543 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 22.5 pt -80.9 -20.31 11.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.603 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' TRP . . . . . . . . . . . . . 24.7 m95 -152.04 76.33 7.21 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.534 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo . . . . . 0 C--N 1.303 -1.855 0 C-N-CA 122.843 2.362 . . . . 0.0 111.971 -179.91 . . . . . . . . 0 0 . 1 stop_ save_