data_4ch0_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 4ch0 _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 ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 63.2 mtm . . . . . 0 C--O 1.231 0.089 0 CA-C-O 121.051 0.453 . . . . 2.01 111.119 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' S' S ' 34' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -104.91 4.67 32.18 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.27 -0.423 . . . . 1.16 110.835 -178.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 35' ' ' THR . . . . . 0.438 ' O ' ' HA ' ' S' ' 82' ' ' THR . 43.5 p -124.06 -6.18 7.83 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.925 0.393 . . . . 1.22 110.693 -179.5 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 36' ' ' LYS . . . . . . . . . . . . . 45.9 tptt -88.98 97.23 11.08 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 115.767 -0.651 . . . . 2.47 110.233 -176.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 37' ' ' ILE . . . . . . . . . . . . . 64.8 mt -85.71 127.25 40.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 116.114 -0.493 . . . . 1.18 111.004 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 38' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -96.81 117.82 31.9 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.714 -0.676 . . . . 0.57 109.548 175.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 39' ' ' VAL . . . . . . . . . . . . . 21.5 t -112.88 101.39 12.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.32 -0.4 . . . . 1.01 110.197 179.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 40' ' ' GLY . . . . . . . . . . . . . . . -101.68 152.56 18.72 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.886 -0.673 . . . . 0.27 112.317 -179.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 41' ' ' GLY . . . . . . . . . . . . . . . 95.06 33.45 6.59 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.812 -0.709 . . . . 0.49 111.931 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 42' ' ' LEU . . . . . 0.43 ' O ' ' HA2' ' S' ' 77' ' ' GLY . 68.8 mt -100.13 132.9 21.99 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-O 120.752 0.31 . . . . 1.11 110.88 -178.072 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 43' ' ' PRO . . . . . 0.451 ' HD2' ' OG1' ' S' ' 46' ' ' THR . 31.4 Cg_exo -61.4 165.06 13.78 Favored 'Trans proline' 0 CA--C 1.532 0.381 0 C-N-CA 122.951 2.434 . . . . 0.62 112.472 176.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 44' ' ' TYR . . . . . 0.66 ' HA ' ' HB2' ' S' ' 75' ' ' SER . 8.7 m-85 -78.27 -0.5 28.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.861 -0.609 . . . . 2.81 111.878 -170.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 45' ' ' HIS . . . . . . . . . . . . . 7.3 p80 -114.78 0.65 13.89 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.946 0.403 . . . . 3.13 110.707 -179.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 46' ' ' THR . . . . . 0.451 ' OG1' ' HD2' ' S' ' 43' ' ' PRO . 55.2 m -77.54 118.1 19.63 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 109.361 -0.607 . . . . 1.14 109.361 178.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 47' ' ' SER . . . . . 0.502 ' HB2' ' HG2' ' S' ' 49' ' ' LYS . 5.6 m -97.49 174.57 6.6 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.084 0.469 . . . . 0.68 111.281 -174.227 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 48' ' ' ASP . . . . . 0.469 ' HB2' ' O ' ' S' ' 64' ' ' ALA . 17.9 p-10 -58.57 -42.71 88.62 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.172 -0.922 . . . . 1.29 109.943 175.609 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 49' ' ' LYS . . . . . 0.502 ' HG2' ' HB2' ' S' ' 47' ' ' SER . 23.5 pttm -62.86 -34.4 77.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.644 -0.707 . . . . 3.0 111.337 178.628 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 50' ' ' THR . . . . . . . . . . . . . 4.7 m -67.37 -47.11 71.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.178 0.513 . . . . 1.15 109.794 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 51' ' ' LEU . . . . . . . . . . . . . 15.8 tp -66.19 -40.04 90.13 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.421 -0.809 . . . . 1.23 110.219 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 52' ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -61.32 -51.14 70.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.571 -0.74 . . . . 0.73 110.815 178.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 53' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -50.32 -42.7 53.11 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.656 -0.702 . . . . 2.24 111.451 179.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 54' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -74.05 -42.31 60.44 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.122 0.416 . . . . 1.2 112.122 -176.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 55' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -85.67 -20.89 28.73 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 113.636 0.976 . . . . 0.68 113.636 -170.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 56' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -64.89 -15.97 62.66 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 120.619 -0.432 . . . . 1.47 110.913 -179.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 57' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -59.87 -25.38 65.01 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 115.857 -0.611 . . . . 3.67 110.865 174.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 58' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -96.85 -15.37 21.28 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.037 0.384 . . . . 0.71 112.037 -173.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 59' ' ' GLY . . . . . . . . . . . . . . . 155.09 -173.24 33.39 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.305 -0.95 . . . . 0.51 113.057 178.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 60' ' ' ASP . . . . . 0.687 ' HB2' ' HG2' ' S' ' 84' ' ' LYS . 2.0 m-20 -65.78 128.84 37.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.801 0.334 . . . . 1.99 110.442 -179.058 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 61' ' ' ILE . . . . . 0.577 HG22 ' HB3' ' S' ' 64' ' ' ALA . 58.3 mt -102.17 121.93 53.8 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 CA-C-N 116.036 -0.529 . . . . 1.13 110.35 177.251 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 62' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -73.01 -52.87 12.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.553 0.692 . . . . 1.91 109.574 176.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.81 137.88 33.64 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.873 -1.058 . . . . 1.81 109.75 -176.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 64' ' ' ALA . . . . . 0.577 ' HB3' HG22 ' S' ' 61' ' ' ILE . . . -146.31 103.98 3.75 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 110.031 -0.359 . . . . 1.14 110.031 177.244 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 65' ' ' VAL . . . . . . . . . . . . . 33.3 m -137.64 137.91 44.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.233 0.54 . . . . 1.07 111.277 -179.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 66' ' ' VAL . . . . . . . . . . . . . 73.5 t -93.63 118.12 38.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 107.974 -1.121 . . . . 1.07 107.974 169.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 67' ' ' ILE . . . . . . . . . . . . . 49.4 mm -68.54 119.22 13.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.085 0.469 . . . . 1.19 110.902 -171.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 68' ' ' THR . . . . . . . . . . . . . 68.8 p -99.26 147.91 24.68 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.508 -0.769 . . . . 1.27 110.78 -178.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 69' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -65.66 126.0 27.03 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.419 -0.956 . . . . 1.75 108.419 171.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 70' ' ' ARG . . . . . . . . . . . . . 16.7 mmm180 -75.02 -10.43 59.47 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 113.327 0.862 . . . . 4.77 113.327 -171.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 71' ' ' ASN . . . . . 0.57 HD21 HG21 ' S' ' 72' ' ' THR . 8.1 t30 -95.1 -49.3 5.58 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.566 -0.454 . . . . 2.82 110.582 177.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 72' ' ' THR . . . . . 0.57 HG21 HD21 ' S' ' 71' ' ' ASN . 32.2 p -97.52 -15.99 20.3 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 112.16 0.429 . . . . 2.27 112.16 -174.436 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 73' ' ' GLN . . . . . 0.418 ' HA ' ' NE2' ' S' ' 73' ' ' GLN . 11.3 mm-40 62.19 36.92 14.66 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.039 -0.528 . . . . 2.59 112.416 179.588 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 74' ' ' LYS . . . . . . . . . . . . . 22.5 pttm -108.0 146.64 32.21 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.348 -0.612 . . . . 3.24 109.348 172.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 75' ' ' SER . . . . . 0.66 ' HB2' ' HA ' ' S' ' 44' ' ' TYR . 16.5 m -60.77 136.62 58.13 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 123.079 0.237 . . . . 1.54 110.366 177.67 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 76' ' ' ARG . . . . . . . . . . . . . 58.1 mtp180 -82.96 6.0 20.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.818 0.342 . . . . 2.96 111.08 -177.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 77' ' ' GLY . . . . . 0.43 ' HA2' ' O ' ' S' ' 42' ' ' LEU . . . 99.76 12.45 40.6 Favored Glycine 0 C--N 1.331 0.251 0 C-N-CA 121.028 -0.606 . . . . 0.63 113.582 173.777 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 78' ' ' TYR . . . . . . . . . . . . . 41.9 p90 -157.85 158.55 35.35 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.929 0.364 . . . . 1.05 110.934 -179.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 79' ' ' GLY . . . . . . . . . . . . . . . -139.42 162.4 26.12 Favored Glycine 0 N--CA 1.445 -0.71 0 N-CA-C 111.172 -0.771 . . . . 0.19 111.172 175.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 80' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -120.85 136.69 54.86 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.887 0.344 . . . . 0.47 110.97 -179.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 81' ' ' VAL . . . . . . . . . . . . . 46.9 t -124.51 115.86 45.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.911 -0.586 . . . . 1.11 110.359 177.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 82' ' ' THR . . . . . 0.438 ' HA ' ' O ' ' S' ' 35' ' ' THR . 28.1 m -96.65 108.72 21.39 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 109.773 -0.454 . . . . 1.09 109.773 176.23 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 83' ' ' MET . . . . . 0.605 ' HG3' ' HA ' ' S' ' 89' ' ' ALA . 91.6 mmm -80.79 161.58 24.43 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.353 -0.385 . . . . 1.13 110.379 -179.785 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 84' ' ' LYS . . . . . 0.687 ' HG2' ' HB2' ' S' ' 60' ' ' ASP . 0.0 OUTLIER -68.71 -21.37 64.41 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.828 0.307 . . . . 2.79 111.828 -178.366 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' S' S ' 85' ' ' ASP . . . . . 0.448 ' CB ' ' HD2' ' S' ' 84' ' ' LYS . 23.4 t70 -156.5 162.06 39.98 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.411 -0.359 . . . . 1.85 110.41 -178.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 86' ' ' ARG . . . . . 0.529 ' CD ' ' H ' ' S' ' 86' ' ' ARG . 0.0 OUTLIER -67.68 -29.52 68.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.015 -0.539 . . . . 4.59 111.671 -178.65 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' S' S ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.75 -38.66 87.06 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.251 0.548 . . . . 1.26 110.27 178.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 88' ' ' SER . . . . . . . . . . . . . 4.3 m -69.58 -40.33 76.78 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.677 -0.692 . . . . 1.26 110.311 175.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 89' ' ' ALA . . . . . 0.605 ' HA ' ' HG3' ' S' ' 83' ' ' MET . . . -60.31 -48.58 81.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.747 -0.66 . . . . 1.17 111.334 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 90' ' ' GLU . . . . . 0.564 ' O ' ' HG2' ' S' ' 94' ' ' LYS . 4.1 pt-20 -72.18 -21.73 61.39 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.628 -0.429 . . . . 1.85 111.028 -179.264 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 91' ' ' ARG . . . . . . . . . . . . . 76.4 ttt180 -63.8 -37.88 89.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.102 0.477 . . . . 3.45 109.788 174.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 92' ' ' ALA . . . . . . . . . . . . . . . -77.2 -27.11 53.41 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.831 -0.622 . . . . 1.15 110.186 176.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 93' ' ' CYS . . . . . . . . . . . . . 17.8 t -83.78 -2.82 57.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.754 -0.657 . . . . 2.24 110.629 -179.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 94' ' ' LYS . . . . . 0.564 ' HG2' ' O ' ' S' ' 90' ' ' GLU . 37.7 mmtm -60.94 -31.1 70.66 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.204 -0.453 . . . . 3.42 110.809 175.442 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 95' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -115.46 95.02 41.85 Favored Pre-proline 0 C--N 1.329 -0.32 0 N-CA-C 109.33 -0.619 . . . . 2.13 109.33 175.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 96' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -65.27 -32.64 50.93 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.851 2.368 . . . . 1.08 113.45 -171.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 97' ' ' ASN . . . . . 0.452 ' HB3' ' HZ1' ' S' ' 104' ' ' LYS . 10.4 m120 -126.82 83.91 64.36 Favored Pre-proline 0 C--N 1.321 -0.635 0 CA-C-O 120.804 0.335 . . . . 1.08 111.276 -177.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 98' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -88.65 157.87 6.33 Favored 'Trans proline' 0 N--CA 1.452 -0.953 0 C-N-CA 122.656 2.237 . . . . 0.76 111.896 176.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 99' ' ' ILE . . . . . . . . . . . . . 49.8 mm -95.95 100.71 11.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-O 121.145 0.498 . . . . 1.19 110.18 179.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 100' ' ' ILE . . . . . . . . . . . . . 54.9 mt -108.76 119.74 58.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.677 -0.692 . . . . 1.18 109.813 -179.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 101' ' ' ASP . . . . . 0.436 ' OD2' ' HG2' ' S' ' 43' ' ' PRO . 39.1 t70 67.17 16.03 10.15 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 121.998 0.904 . . . . 1.4 110.23 177.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 102' ' ' GLY . . . . . . . . . . . . . . . 89.08 6.15 72.12 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.734 -0.746 . . . . 0.93 111.672 -177.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 103' ' ' ARG . . . . . . . . . . . . . 6.5 tpp180 -107.02 136.17 47.34 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.68 -0.489 . . . . 3.59 109.68 -179.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 104' ' ' LYS . . . . . 0.452 ' HZ1' ' HB3' ' S' ' 97' ' ' ASN . 58.1 tttm -76.41 97.69 4.35 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.295 -0.632 . . . . 2.58 109.295 177.265 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 105' ' ' ALA . . . . . 0.421 ' O ' ' HA ' ' S' ' 97' ' ' ASN . . . -87.43 164.08 16.39 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.095 -0.502 . . . . 1.06 111.363 -173.759 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 106' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -121.07 110.64 16.48 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.952 -0.567 . . . . 2.54 109.754 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 107' ' ' VAL . . . . . . . . . . . . . 76.7 t -107.48 125.68 63.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.209 -0.45 . . . . 1.22 110.417 -178.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 108' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -169.52 148.12 3.7 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.179 -0.464 . . . . 1.76 109.978 -178.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 109' ' ' LEU . . . . . . . . . . . . . 95.4 mt -62.9 132.98 53.92 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.844 0.354 . . . . 1.22 110.955 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.59 -29.75 68.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.077 -0.51 . . . . 1.25 111.965 -176.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 111' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.444 0 CA-C-N 116.605 -0.27 . . . . 1.7 110.821 -178.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 15.4 tpt . . . . . 0 N--CA 1.455 -0.217 0 CA-C-O 120.743 0.306 . . . . 2.01 111.223 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' S' S ' 34' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -109.04 16.76 22.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.956 0.408 . . . . 1.16 110.868 -177.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 35' ' ' THR . . . . . 0.515 ' O ' ' HA ' ' S' ' 82' ' ' THR . 14.8 p -117.28 -3.95 11.42 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.14 -0.482 . . . . 1.22 110.72 -177.008 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 36' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -94.92 104.18 16.06 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.73 -0.668 . . . . 2.47 110.917 -174.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 37' ' ' ILE . . . . . 0.469 ' CG2' HG11 ' S' ' 107' ' ' VAL . 70.9 mt -93.42 136.82 24.11 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 115.232 -0.895 . . . . 1.18 110.885 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 38' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -101.12 122.86 44.35 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.047 -0.524 . . . . 0.57 109.601 175.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 39' ' ' VAL . . . . . 0.452 HG22 HD12 ' S' ' 51' ' ' LEU . 22.0 t -119.21 105.93 18.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 110.115 -0.328 . . . . 1.01 110.115 178.21 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 40' ' ' GLY . . . . . . . . . . . . . . . -104.57 152.88 17.52 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.607 -0.806 . . . . 0.27 112.592 -178.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 41' ' ' GLY . . . . . . . . . . . . . . . 99.6 33.12 5.45 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.949 -0.643 . . . . 0.49 112.338 178.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 42' ' ' LEU . . . . . 0.594 ' O ' ' HA2' ' S' ' 77' ' ' GLY . 83.0 mt -103.66 133.79 20.09 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-O 120.995 0.426 . . . . 1.11 111.561 -176.16 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 43' ' ' PRO . . . . . 0.658 ' HG3' ' HG3' ' S' ' 103' ' ' ARG . 22.7 Cg_exo -65.12 173.81 5.62 Favored 'Trans proline' 0 CA--C 1.532 0.388 0 C-N-CA 123.022 2.481 . . . . 0.62 112.671 176.647 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 44' ' ' TYR . . . . . 0.439 ' HA ' ' HB2' ' S' ' 75' ' ' SER . 7.1 m-85 -78.6 -8.51 58.69 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.129 -0.487 . . . . 2.81 111.756 -172.539 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 45' ' ' HIS . . . . . . . . . . . . . 27.0 p80 -101.73 -4.97 25.54 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.898 -0.321 . . . . 3.13 110.717 -178.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 46' ' ' THR . . . . . 0.506 ' OG1' ' HD2' ' S' ' 43' ' ' PRO . 89.0 m -73.07 113.17 9.81 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-O 121.064 0.459 . . . . 1.14 109.865 179.516 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 47' ' ' SER . . . . . . . . . . . . . 14.0 m -104.43 -175.52 2.82 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.518 -0.764 . . . . 0.68 110.806 -174.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 48' ' ' ASP . . . . . . . . . . . . . 17.7 p-10 -63.66 -38.41 91.01 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.674 -0.694 . . . . 1.29 110.627 -179.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 49' ' ' LYS . . . . . 0.41 ' HG3' ' N ' ' S' ' 50' ' ' THR . 11.1 ptmt -64.33 -34.32 77.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 3.0 111.335 177.532 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 50' ' ' THR . . . . . 0.41 ' N ' ' HG3' ' S' ' 49' ' ' LYS . 1.0 OUTLIER -68.13 -54.32 18.86 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.016 0.436 . . . . 1.15 110.55 -175.923 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' S' S ' 51' ' ' LEU . . . . . 0.452 HD12 HG22 ' S' ' 39' ' ' VAL . 16.8 tp -59.98 -40.0 87.64 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.728 -0.669 . . . . 1.23 110.457 177.47 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 52' ' ' HIS . . . . . . . . . . . . . 49.3 t-80 -60.0 -52.76 64.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.6 -0.727 . . . . 0.73 111.058 179.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 53' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -57.03 -44.15 82.59 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.123 -0.49 . . . . 2.24 111.986 -175.323 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 54' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -68.51 -37.77 80.34 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.879 -0.329 . . . . 1.2 111.32 -176.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 55' ' ' PHE . . . . . 0.425 ' HA ' ' HD2' ' S' ' 58' ' ' PHE . 24.1 m-85 -83.62 -19.56 35.24 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.047 0.388 . . . . 0.68 112.047 -177.729 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 56' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -56.68 -24.32 48.11 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.228 0.537 . . . . 1.47 110.794 178.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 57' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -63.61 -24.72 67.91 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.599 0.714 . . . . 3.67 111.171 178.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 58' ' ' PHE . . . . . 0.464 ' O ' ' HD3' ' S' ' 91' ' ' ARG . 29.7 m-85 -105.31 0.6 27.21 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 115.02 -0.991 . . . . 0.71 111.679 -171.674 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 59' ' ' GLY . . . . . . . . . . . . . . . 140.83 -178.17 20.3 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.129 -1.034 . . . . 0.51 113.167 174.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 60' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -70.77 146.47 49.76 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 122.777 0.431 . . . . 1.99 110.908 179.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 61' ' ' ILE . . . . . 0.456 ' HA ' ' HA ' ' S' ' 83' ' ' MET . 74.4 mt -122.24 134.88 64.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.146 -0.479 . . . . 1.13 111.18 -175.582 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 62' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -78.07 -57.11 3.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.098 0.475 . . . . 1.91 110.564 176.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 63' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -152.57 116.66 4.89 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.955 -0.566 . . . . 1.81 110.331 -174.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 64' ' ' ALA . . . . . . . . . . . . . . . -124.65 104.05 8.47 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.445 -0.343 . . . . 1.14 110.426 178.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 65' ' ' VAL . . . . . . . . . . . . . 34.9 m -125.24 136.11 61.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.243 0.544 . . . . 1.07 111.283 -178.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 66' ' ' VAL . . . . . . . . . . . . . 59.7 t -89.58 118.57 35.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 N-CA-C 108.467 -0.938 . . . . 1.07 108.467 172.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 67' ' ' ILE . . . . . . . . . . . . . 49.2 mm -68.59 122.89 20.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.15 0.5 . . . . 1.19 110.974 -172.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 68' ' ' THR . . . . . . . . . . . . . 14.8 p -106.13 157.27 17.68 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.628 -0.715 . . . . 1.27 111.048 -178.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 69' ' ' ASP . . . . . 0.407 ' O ' ' HA ' ' S' ' 73' ' ' GLN . 23.7 t70 -79.71 148.61 31.48 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.827 -0.624 . . . . 1.75 109.353 175.514 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 70' ' ' ARG . . . . . . . . . . . . . 49.2 mtp180 -76.69 -33.46 58.24 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 120.776 -0.37 . . . . 4.77 111.47 -175.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 71' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -79.14 -48.92 13.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.255 0.55 . . . . 2.82 110.545 -175.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 72' ' ' THR . . . . . . . . . . . . . 34.6 p -91.56 -25.99 18.96 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.786 -0.643 . . . . 2.27 112.114 -175.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 73' ' ' GLN . . . . . 0.407 ' HA ' ' O ' ' S' ' 69' ' ' ASP . 14.4 mm-40 64.3 21.18 12.44 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 116.051 -0.522 . . . . 2.59 111.289 -176.705 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 74' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -101.67 153.92 19.34 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.036 -0.529 . . . . 3.24 110.031 174.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 75' ' ' SER . . . . . 0.439 ' HB2' ' HA ' ' S' ' 44' ' ' TYR . 10.5 m -59.19 137.48 57.95 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.028 -0.533 . . . . 1.54 110.886 -179.708 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 76' ' ' ARG . . . . . . . . . . . . . 63.6 mtp180 -81.21 7.45 11.24 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.382 -0.372 . . . . 2.96 111.0 -179.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 77' ' ' GLY . . . . . 0.594 ' HA2' ' O ' ' S' ' 42' ' ' LEU . . . 99.36 16.49 29.5 Favored Glycine 0 N--CA 1.451 -0.358 0 CA-C-N 115.995 -0.548 . . . . 0.63 113.352 174.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 78' ' ' TYR . . . . . . . . . . . . . 40.6 p90 -164.34 162.18 22.16 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.686 0.279 . . . . 1.05 110.7 -179.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 79' ' ' GLY . . . . . . . . . . . . . . . -143.61 164.78 27.33 Favored Glycine 0 N--CA 1.445 -0.706 0 N-CA-C 111.064 -0.814 . . . . 0.19 111.064 176.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 80' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -119.91 135.82 54.75 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.836 0.35 . . . . 0.47 110.994 -179.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 81' ' ' VAL . . . . . 0.433 ' HB ' ' HB ' ' S' ' 37' ' ' ILE . 19.1 t -118.2 111.58 34.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.047 -0.524 . . . . 1.11 110.459 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 82' ' ' THR . . . . . 0.515 ' HA ' ' O ' ' S' ' 35' ' ' THR . 31.1 m -97.65 103.37 15.3 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 108.36 -0.978 . . . . 1.09 108.36 172.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 83' ' ' MET . . . . . 0.552 ' SD ' ' HA ' ' S' ' 89' ' ' ALA . 57.1 mtp -86.78 168.57 13.37 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 120.925 -0.31 . . . . 1.13 110.572 -175.74 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.8 -53.04 57.93 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 123.857 0.723 . . . . 2.79 111.993 -178.052 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 85' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -136.3 161.89 34.52 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.27 -0.423 . . . . 1.85 110.064 -177.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 86' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -60.97 -32.95 72.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.455 -0.339 . . . . 4.59 110.822 178.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.25 -40.49 96.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.925 0.393 . . . . 1.26 110.289 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 88' ' ' SER . . . . . . . . . . . . . 2.3 m -64.95 -50.19 67.38 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.38 -0.6 . . . . 1.26 109.38 175.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 89' ' ' ALA . . . . . 0.552 ' HA ' ' SD ' ' S' ' 83' ' ' MET . . . -51.74 -50.28 60.91 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 114.993 -1.003 . . . . 1.17 112.342 177.674 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 90' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -69.01 -29.85 68.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.957 0.408 . . . . 1.85 110.955 -178.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 91' ' ' ARG . . . . . 0.464 ' HD3' ' O ' ' S' ' 58' ' ' PHE . 63.2 ttt180 -61.45 -26.83 68.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.97 -0.559 . . . . 3.45 109.791 174.405 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 92' ' ' ALA . . . . . . . . . . . . . . . -86.41 -32.32 20.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.865 -0.607 . . . . 1.15 110.497 174.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 93' ' ' CYS . . . . . . . . . . . . . 47.0 t -74.15 -4.68 37.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.697 -0.683 . . . . 2.24 111.57 -178.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 94' ' ' LYS . . . . . . . . . . . . . 27.5 mmtp -56.77 -40.95 76.77 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.59 -0.277 . . . . 3.42 111.085 174.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 95' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -103.73 100.58 20.2 Favored Pre-proline 0 C--N 1.328 -0.348 0 N-CA-C 109.899 -0.408 . . . . 2.13 109.899 176.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 96' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -68.99 -27.74 29.8 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.92 2.413 . . . . 1.08 113.129 -175.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 97' ' ' ASN . . . . . . . . . . . . . 21.6 m120 -129.17 92.32 39.52 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-O 120.98 0.419 . . . . 1.08 111.35 179.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 98' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -84.72 149.75 11.24 Favored 'Trans proline' 0 N--CA 1.452 -0.932 0 C-N-CA 123.101 2.534 . . . . 0.76 112.058 175.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 99' ' ' ILE . . . . . . . . . . . . . 49.5 mm -95.61 91.78 3.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 121.184 0.516 . . . . 1.19 109.769 177.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 100' ' ' ILE . . . . . . . . . . . . . 60.5 mt -101.67 118.67 48.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.92 -0.582 . . . . 1.18 110.159 -178.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 101' ' ' ASP . . . . . . . . . . . . . 37.6 t70 66.43 16.68 10.49 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 121.857 0.837 . . . . 1.4 110.39 -179.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 102' ' ' GLY . . . . . . . . . . . . . . . 86.75 -2.3 87.2 Favored Glycine 0 N--CA 1.45 -0.394 0 CA-C-N 115.729 -0.669 . . . . 0.93 111.62 -177.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 103' ' ' ARG . . . . . 0.658 ' HG3' ' HG3' ' S' ' 43' ' ' PRO . 18.9 mmt180 -93.6 139.09 31.17 Favored 'General case' 0 N--CA 1.444 -0.747 0 N-CA-C 109.511 -0.551 . . . . 3.59 109.511 -179.643 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 104' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -78.8 99.7 6.81 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.164 0.506 . . . . 2.58 110.07 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 105' ' ' ALA . . . . . . . . . . . . . . . -88.73 166.62 13.93 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.419 -0.81 . . . . 1.06 110.285 -178.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 106' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -133.49 123.7 25.7 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.176 -0.466 . . . . 2.54 109.791 177.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 107' ' ' VAL . . . . . 0.469 HG11 ' CG2' ' S' ' 37' ' ' ILE . 79.0 t -109.34 127.21 66.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.264 -0.88 . . . . 1.22 110.208 -179.275 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 108' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -149.68 173.58 13.52 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.034 -0.728 . . . . 1.76 109.034 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 109' ' ' LEU . . . . . 0.44 HD11 ' HE2' ' S' ' 111' ' ' TYR . 97.8 mt -93.36 124.03 37.07 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.861 -0.422 . . . . 1.22 109.861 178.598 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.99 -30.34 70.88 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.906 0.706 . . . . 1.25 112.906 -169.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 111' ' ' TYR . . . . . 0.44 ' HE2' HD11 ' S' ' 109' ' ' LEU . 15.9 p90 . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 120.619 0.247 . . . . 1.7 111.37 -175.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 87.8 mtp . . . . . 0 N--CA 1.451 -0.393 0 CA-C-O 120.899 0.381 . . . . 2.01 110.932 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' S' S ' 34' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -97.16 4.69 51.06 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.148 -0.478 . . . . 1.16 111.624 -171.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 35' ' ' THR . . . . . . . . . . . . . 20.8 p -114.06 -18.09 11.78 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.444 -0.344 . . . . 1.22 111.584 -178.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 36' ' ' LYS . . . . . . . . . . . . . 34.2 tttp -97.42 110.71 23.21 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.168 0.509 . . . . 2.47 110.709 -175.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 37' ' ' ILE . . . . . 0.466 ' CG2' HG11 ' S' ' 107' ' ' VAL . 74.1 mt -98.06 136.04 30.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.335 -0.848 . . . . 1.18 110.901 -178.197 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 38' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -100.39 128.35 46.48 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.936 -0.574 . . . . 0.57 109.461 175.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 39' ' ' VAL . . . . . . . . . . . . . 31.9 t -119.41 104.03 15.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.498 -0.319 . . . . 1.01 110.291 179.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 40' ' ' GLY . . . . . . . . . . . . . . . -105.07 152.53 17.3 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.666 -0.778 . . . . 0.27 112.179 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 41' ' ' GLY . . . . . . . . . . . . . . . 99.62 40.71 3.1 Favored Glycine 0 C--O 1.23 -0.134 0 C-N-CA 120.918 -0.658 . . . . 0.49 112.207 178.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 42' ' ' LEU . . . . . 0.457 ' O ' ' HA2' ' S' ' 77' ' ' GLY . 92.4 mt -113.3 135.36 21.81 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-O 120.629 0.252 . . . . 1.11 110.471 -178.059 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 43' ' ' PRO . . . . . 0.615 ' HD2' ' OG1' ' S' ' 46' ' ' THR . 16.7 Cg_exo -66.44 170.63 11.89 Favored 'Trans proline' 0 N--CA 1.462 -0.333 0 C-N-CA 122.652 2.235 . . . . 0.62 112.213 175.345 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 44' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -71.36 -16.05 62.41 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.841 -0.618 . . . . 2.81 110.348 -178.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 45' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -82.73 -17.16 45.3 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.339 -0.846 . . . . 3.13 110.415 -177.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 46' ' ' THR . . . . . 0.615 ' OG1' ' HD2' ' S' ' 43' ' ' PRO . 59.2 m -79.27 112.34 16.41 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-N 115.895 -0.593 . . . . 1.14 109.474 -175.274 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 47' ' ' SER . . . . . 0.448 ' HB2' ' HG2' ' S' ' 49' ' ' LYS . 15.5 m -95.27 173.45 7.53 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.845 -0.616 . . . . 0.68 110.051 -178.184 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 48' ' ' ASP . . . . . 0.579 ' HB2' ' O ' ' S' ' 64' ' ' ALA . 7.3 p-10 -61.63 -35.28 77.46 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.05 -0.523 . . . . 1.29 110.517 178.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 49' ' ' LYS . . . . . 0.448 ' HG2' ' HB2' ' S' ' 47' ' ' SER . 61.9 pttt -60.32 -37.4 80.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.951 -0.568 . . . . 3.0 110.888 175.784 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 50' ' ' THR . . . . . . . . . . . . . 1.3 m -68.7 -45.34 71.88 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-O 121.187 0.518 . . . . 1.15 110.176 -177.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 51' ' ' LEU . . . . . . . . . . . . . 17.0 tp -60.1 -45.72 92.01 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.612 -0.722 . . . . 1.23 110.403 176.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 52' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -60.21 -47.89 84.05 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.922 -0.581 . . . . 0.73 110.687 178.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 53' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -50.56 -45.0 56.83 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.703 -0.681 . . . . 2.24 111.452 -178.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 54' ' ' TYR . . . . . 0.467 ' OH ' ' HB3' ' S' ' 98' ' ' PRO . 87.2 t80 -73.02 -37.4 66.94 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.067 -0.515 . . . . 1.2 111.986 -176.349 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 55' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -85.75 -20.5 29.18 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 113.873 1.064 . . . . 0.68 113.873 -172.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 56' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -58.8 -20.45 50.15 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 121.167 0.508 . . . . 1.47 111.453 -179.029 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 57' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -64.3 -29.07 70.16 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.374 0.607 . . . . 3.67 111.194 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 58' ' ' PHE . . . . . 0.403 ' O ' ' HD3' ' S' ' 91' ' ' ARG . 31.6 m-85 -98.48 -11.11 22.64 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.249 -0.887 . . . . 0.71 111.753 -170.536 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 59' ' ' GLY . . . . . . . . . . . . . . . 159.61 -165.21 34.43 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.284 -0.96 . . . . 0.51 112.524 178.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 60' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -88.27 142.17 27.96 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.893 -0.41 . . . . 1.99 109.893 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 61' ' ' ILE . . . . . . . . . . . . . 57.1 mt -118.76 134.28 62.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.017 -0.538 . . . . 1.13 110.542 -175.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 62' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -98.25 -36.32 10.06 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.128 0.489 . . . . 1.91 110.614 176.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 63' ' ' GLU . . . . . 0.455 ' O ' ' HA ' ' S' ' 81' ' ' VAL . 30.5 tt0 -136.51 131.68 34.26 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.028 -0.533 . . . . 1.81 110.444 -177.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 64' ' ' ALA . . . . . 0.579 ' O ' ' HB2' ' S' ' 48' ' ' ASP . . . -153.48 100.7 2.44 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.898 -0.408 . . . . 1.14 109.898 176.049 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 65' ' ' VAL . . . . . 0.47 ' HA ' ' HB3' ' S' ' 48' ' ' ASP . 29.4 m -136.97 142.93 36.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 111.766 0.284 . . . . 1.07 111.766 -177.063 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 66' ' ' VAL . . . . . . . . . . . . . 98.0 t -94.98 117.39 38.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 108.646 -0.872 . . . . 1.07 108.646 171.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 67' ' ' ILE . . . . . . . . . . . . . 48.4 mm -69.56 132.14 33.39 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 CA-C-O 121.488 0.661 . . . . 1.19 112.036 -169.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 68' ' ' THR . . . . . . . . . . . . . 21.0 p -106.4 151.46 24.87 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 114.851 -1.068 . . . . 1.27 110.179 179.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 69' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -70.31 138.43 51.49 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.374 -0.376 . . . . 1.75 110.026 177.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 70' ' ' ARG . . . . . . . . . . . . . 68.3 mtp180 -74.3 -18.23 60.74 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 111.769 0.285 . . . . 4.77 111.769 -173.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 71' ' ' ASN . . . . . . . . . . . . . 40.7 t-20 -95.19 -56.04 2.86 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.013 0.435 . . . . 2.82 110.677 -178.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 72' ' ' THR . . . . . . . . . . . . . 39.7 p -85.82 -23.63 27.08 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.525 0.565 . . . . 2.27 112.525 -174.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 73' ' ' GLN . . . . . . . . . . . . . 21.0 mm-40 69.71 25.3 5.18 Favored 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 112.204 0.446 . . . . 2.59 112.204 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 74' ' ' LYS . . . . . . . . . . . . . 56.0 mttp -106.77 155.15 20.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.289 -0.414 . . . . 3.24 109.885 172.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 75' ' ' SER . . . . . . . . . . . . . 7.3 m -63.87 138.01 58.29 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.455 -0.339 . . . . 1.54 111.207 -177.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 76' ' ' ARG . . . . . . . . . . . . . 51.4 mtt180 -83.43 -15.96 47.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.342 -0.39 . . . . 2.96 111.935 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 77' ' ' GLY . . . . . 0.457 ' HA2' ' O ' ' S' ' 42' ' ' LEU . . . 107.44 29.43 4.48 Favored Glycine 0 CA--C 1.518 0.24 0 C-N-CA 120.302 -0.951 . . . . 0.63 113.797 174.319 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 78' ' ' TYR . . . . . . . . . . . . . 50.9 p90 -164.21 164.03 22.69 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.934 -0.395 . . . . 1.05 109.934 178.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 79' ' ' GLY . . . . . . . . . . . . . . . -140.89 162.85 26.68 Favored Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 121.034 -0.603 . . . . 0.19 112.167 179.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 80' ' ' PHE . . . . . 0.417 ' O ' ' HA ' ' S' ' 64' ' ' ALA . 37.3 m-85 -117.24 137.66 52.24 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.656 0.265 . . . . 0.47 110.665 177.43 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 81' ' ' VAL . . . . . 0.455 ' HA ' ' O ' ' S' ' 63' ' ' GLU . 21.9 t -128.09 115.3 38.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.158 -0.474 . . . . 1.11 110.357 177.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 82' ' ' THR . . . . . 0.45 ' HB ' ' HB3' ' S' ' 63' ' ' GLU . 40.1 m -100.29 114.32 27.71 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.98 -0.748 . . . . 1.09 108.98 176.164 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 83' ' ' MET . . . . . 0.669 ' HG3' ' HA ' ' S' ' 89' ' ' ALA . 96.2 mmm -84.54 163.01 19.63 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.797 -0.638 . . . . 1.13 111.584 -172.794 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 84' ' ' LYS . . . . . . . . . . . . . 66.3 tttt -57.23 -43.91 83.31 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.7 -1.136 . . . . 2.79 111.895 177.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 85' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -153.92 -176.21 5.74 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.457 -0.571 . . . . 1.85 109.457 -177.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 86' ' ' ARG . . . . . 0.512 ' O ' ' HG3' ' S' ' 90' ' ' GLU . 22.4 ttp180 -76.93 -33.32 57.73 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.561 -0.456 . . . . 4.59 111.133 -175.11 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.05 -44.91 87.48 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.763 0.316 . . . . 1.26 110.361 -177.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 88' ' ' SER . . . . . . . . . . . . . 8.3 p -67.08 -38.17 85.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.373 -0.376 . . . . 1.26 110.189 177.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 89' ' ' ALA . . . . . 0.669 ' HA ' ' HG3' ' S' ' 83' ' ' MET . . . -59.77 -48.3 82.21 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.818 -0.628 . . . . 1.17 111.447 175.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 90' ' ' GLU . . . . . 0.512 ' HG3' ' O ' ' S' ' 86' ' ' ARG . 78.1 mt-10 -64.41 -32.74 74.49 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 120.831 0.348 . . . . 1.85 111.211 -179.62 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 91' ' ' ARG . . . . . 0.403 ' HD3' ' O ' ' S' ' 58' ' ' PHE . 57.3 ttt180 -69.07 -29.29 67.38 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.179 -0.464 . . . . 3.45 110.272 179.035 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 92' ' ' ALA . . . . . . . . . . . . . . . -84.16 -42.7 15.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 1.15 110.487 176.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 93' ' ' CYS . . . . . . . . . . . . . 13.0 t -80.54 3.72 20.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.05 -0.523 . . . . 2.24 110.338 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 94' ' ' LYS . . . . . . . . . . . . . 15.9 tptp -56.44 -37.9 70.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.356 -0.838 . . . . 3.42 110.452 176.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 95' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -120.69 102.13 45.04 Favored Pre-proline 0 C--N 1.319 -0.742 0 CA-C-N 115.977 -0.556 . . . . 2.13 109.798 174.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 96' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.8 -6.56 19.39 Favored 'Trans proline' 0 C--N 1.343 0.255 0 C-N-CA 122.875 2.383 . . . . 1.08 112.667 -176.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 97' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -127.07 77.17 75.6 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 120.939 0.4 . . . . 1.08 111.029 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 98' ' ' PRO . . . . . 0.467 ' HB3' ' OH ' ' S' ' 54' ' ' TYR . 4.5 Cg_exo -81.88 163.41 18.3 Favored 'Trans proline' 0 N--CA 1.456 -0.696 0 C-N-CA 123.214 2.609 . . . . 0.76 111.279 175.316 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 99' ' ' ILE . . . . . . . . . . . . . 48.8 mm -110.16 103.05 14.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-O 121.056 0.455 . . . . 1.19 109.857 179.086 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 100' ' ' ILE . . . . . . . . . . . . . 62.2 mt -118.96 129.97 74.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 109.215 -0.661 . . . . 1.18 109.215 -178.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 101' ' ' ASP . . . . . . . . . . . . . 29.5 t70 66.15 14.62 9.73 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 122.0 0.905 . . . . 1.4 109.957 -177.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 102' ' ' GLY . . . . . . . . . . . . . . . 83.27 1.05 90.42 Favored Glycine 0 N--CA 1.449 -0.468 0 CA-C-N 115.544 -0.753 . . . . 0.93 111.627 -175.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 103' ' ' ARG . . . . . 0.501 ' NE ' ' HG3' ' S' ' 43' ' ' PRO . 55.6 mtt180 -99.64 157.23 16.61 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 110.226 -0.287 . . . . 3.59 110.226 -179.783 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 104' ' ' LYS . . . . . . . . . . . . . 52.9 tttm -87.72 109.59 19.82 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.116 0.484 . . . . 2.58 110.342 177.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 105' ' ' ALA . . . . . . . . . . . . . . . -89.77 165.46 14.15 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.785 -0.643 . . . . 1.06 111.008 -177.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 106' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -124.0 110.22 14.51 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.15 -0.477 . . . . 2.54 109.933 179.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 107' ' ' VAL . . . . . 0.466 HG11 ' CG2' ' S' ' 37' ' ' ILE . 54.4 t -110.9 126.99 68.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.848 -0.615 . . . . 1.22 110.57 -178.169 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 108' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -160.69 146.28 14.71 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.989 -0.551 . . . . 1.76 110.455 -177.089 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 109' ' ' LEU . . . . . . . . . . . . . 97.7 mt -63.79 128.51 36.13 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-O 121.154 0.502 . . . . 1.22 110.953 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.31 -20.06 63.88 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.971 0.73 . . . . 1.25 112.971 -169.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 111' ' ' TYR . . . . . . . . . . . . . 15.0 p90 . . . . . 0 N--CA 1.469 0.499 0 CA-C-O 120.587 0.232 . . . . 1.7 111.619 -174.1 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' S' S ' 33' ' ' MET . . . . . 0.587 ' HB3' ' HB3' ' S' ' 111' ' ' TYR . 58.3 mtm . . . . . 0 N--CA 1.447 -0.592 0 CA-C-O 121.185 0.517 . . . . 2.01 110.036 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 34' ' ' PHE . . . . . 0.439 ' HB3' ' NH1' ' S' ' 86' ' ' ARG . 82.2 m-85 -94.76 -1.7 52.42 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.459 -0.791 . . . . 1.16 111.46 -176.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' S' S ' 35' ' ' THR . . . . . . . . . . . . . 7.3 p -114.54 -11.92 12.35 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.079 0.399 . . . . 1.22 112.079 -176.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 36' ' ' LYS . . . . . . . . . . . . . 27.7 tttp -105.69 114.82 29.2 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.288 0.566 . . . . 2.47 110.495 -178.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 37' ' ' ILE . . . . . . . . . . . . . 69.2 mt -94.96 135.39 29.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 115.228 -0.896 . . . . 1.18 110.986 -178.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 38' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -98.9 120.71 39.79 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.965 -0.754 . . . . 0.57 108.965 175.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 39' ' ' VAL . . . . . 0.515 HG22 HD12 ' S' ' 51' ' ' LEU . 20.2 t -113.86 99.58 8.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 120.773 0.32 . . . . 1.01 110.16 -179.454 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' S' S ' 40' ' ' GLY . . . . . . . . . . . . . . . -106.18 154.13 16.94 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.692 -0.766 . . . . 0.27 112.256 -178.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 41' ' ' GLY . . . . . . . . . . . . . . . 99.11 24.31 10.54 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.788 -0.72 . . . . 0.49 112.026 178.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 42' ' ' LEU . . . . . . . . . . . . . 92.2 mt -91.72 137.64 25.47 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-O 120.6 0.238 . . . . 1.11 110.591 -177.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 43' ' ' PRO . . . . . 0.555 ' HD2' ' OG1' ' S' ' 46' ' ' THR . 14.5 Cg_exo -68.4 164.86 31.02 Favored 'Trans proline' 0 N--CA 1.459 -0.541 0 C-N-CA 122.579 2.186 . . . . 0.62 111.539 173.376 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' S' S ' 44' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -65.99 -20.49 66.21 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.101 0.477 . . . . 2.81 110.85 -178.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 45' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -83.52 -4.9 58.95 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.358 -0.837 . . . . 3.13 110.177 -175.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 46' ' ' THR . . . . . 0.555 ' OG1' ' HD2' ' S' ' 43' ' ' PRO . 78.7 m -95.95 109.51 21.87 Favored 'General case' 0 N--CA 1.439 -1.022 0 N-CA-C 109.292 -0.633 . . . . 1.14 109.292 -176.663 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' S' S ' 47' ' ' SER . . . . . . . . . . . . . 14.5 m -101.54 -175.51 2.88 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.98 -0.554 . . . . 0.68 110.411 -176.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 48' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -55.93 -41.82 75.2 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.168 -0.924 . . . . 1.29 110.882 177.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 49' ' ' LYS . . . . . . . . . . . . . 24.0 pttm -59.84 -40.35 88.19 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.027 -0.533 . . . . 3.0 111.298 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 50' ' ' THR . . . . . . . . . . . . . 4.3 m -67.72 -49.21 63.8 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-O 121.265 0.555 . . . . 1.15 110.394 -178.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 51' ' ' LEU . . . . . 0.515 HD12 HG22 ' S' ' 39' ' ' VAL . 29.5 tp -60.98 -41.63 96.8 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.404 -0.817 . . . . 1.23 110.802 178.201 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' S' S ' 52' ' ' HIS . . . . . . . . . . . . . 39.8 t-80 -61.64 -48.51 80.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.532 -0.758 . . . . 0.73 111.16 -179.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 53' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -57.55 -49.48 76.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.532 -0.303 . . . . 2.24 111.585 -177.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 54' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -65.43 -40.09 92.9 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.533 -0.303 . . . . 1.2 111.582 -174.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 55' ' ' PHE . . . . . 0.525 ' HA ' ' HD2' ' S' ' 58' ' ' PHE . 33.9 m-85 -84.64 -20.57 31.12 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.295 0.48 . . . . 0.68 112.295 -174.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' S' S ' 56' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -60.46 -26.31 66.67 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 121.283 0.563 . . . . 1.47 110.076 176.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 57' ' ' GLN . . . . . . . . . . . . . 16.6 tp60 -57.8 -32.56 67.68 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.528 -0.76 . . . . 3.67 110.845 174.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 58' ' ' PHE . . . . . 0.525 ' HD2' ' HA ' ' S' ' 55' ' ' PHE . 75.2 m-85 -91.54 -1.51 57.48 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.436 -0.347 . . . . 0.71 111.699 -174.48 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' S' S ' 59' ' ' GLY . . . . . . . . . . . . . . . 143.07 -171.24 25.03 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.516 -0.85 . . . . 0.51 112.961 176.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 60' ' ' ASP . . . . . 0.579 ' OD1' ' HE2' ' S' ' 84' ' ' LYS . 11.7 m-20 -76.76 136.56 39.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.842 0.353 . . . . 1.99 110.512 -179.436 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' S' S ' 61' ' ' ILE . . . . . 0.686 HG22 ' HB1' ' S' ' 64' ' ' ALA . 56.0 mt -111.34 138.37 40.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.949 -0.568 . . . . 1.13 110.246 -178.338 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' S' S ' 62' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -102.44 -26.51 13.23 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.446 -0.343 . . . . 1.91 111.254 177.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 63' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -149.35 115.7 5.81 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.604 -0.271 . . . . 1.81 110.658 178.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 64' ' ' ALA . . . . . 0.686 ' HB1' HG22 ' S' ' 61' ' ' ILE . . . -137.13 103.18 5.05 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.769 0.319 . . . . 1.14 110.364 177.493 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' S' S ' 65' ' ' VAL . . . . . . . . . . . . . 16.3 m -142.21 139.74 29.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.084 -0.507 . . . . 1.07 110.867 -179.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 66' ' ' VAL . . . . . . . . . . . . . 60.0 t -90.36 121.46 40.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 108.063 -1.088 . . . . 1.07 108.063 170.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 67' ' ' ILE . . . . . . . . . . . . . 50.1 mm -68.3 130.24 33.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.115 0.483 . . . . 1.19 111.912 -167.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 68' ' ' THR . . . . . . . . . . . . . 27.1 p -104.02 142.49 34.36 Favored 'General case' 0 N--CA 1.441 -0.875 0 CA-C-N 115.312 -0.858 . . . . 1.27 109.486 178.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 69' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -65.95 151.67 46.26 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 120.907 -0.317 . . . . 1.75 110.576 178.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 70' ' ' ARG . . . . . . . . . . . . . 54.2 mtm180 -76.46 -23.82 53.88 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.773 0.321 . . . . 4.77 111.183 -175.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 71' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -92.75 -43.57 8.97 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.746 0.308 . . . . 2.82 110.729 -174.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 72' ' ' THR . . . . . . . . . . . . . 22.5 p -99.98 -25.14 14.42 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.342 0.497 . . . . 2.27 112.342 -176.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 73' ' ' GLN . . . . . . . . . . . . . 76.2 mm-40 60.28 37.27 20.49 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.42 0.629 . . . . 2.59 110.891 -175.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 74' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -114.55 161.83 17.52 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.444 -0.798 . . . . 3.24 109.235 174.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 75' ' ' SER . . . . . . . . . . . . . 45.7 t -59.98 137.85 57.99 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.022 0.439 . . . . 1.54 111.824 -177.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 76' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -92.76 3.76 55.03 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.976 -0.557 . . . . 2.96 111.395 177.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 77' ' ' GLY . . . . . . . . . . . . . . . 90.63 13.75 59.22 Favored Glycine 0 CA--C 1.52 0.378 0 C-N-CA 120.426 -0.892 . . . . 0.63 113.571 174.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 78' ' ' TYR . . . . . . . . . . . . . 29.1 p90 -156.35 156.35 33.77 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.884 0.373 . . . . 1.05 110.771 177.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 79' ' ' GLY . . . . . . . . . . . . . . . -136.42 162.43 25.11 Favored Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 121.102 -0.571 . . . . 0.19 111.934 178.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 80' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -113.64 136.16 53.13 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 122.812 -0.228 . . . . 0.47 110.46 178.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 81' ' ' VAL . . . . . . . . . . . . . 56.3 t -123.2 116.48 48.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.048 -0.524 . . . . 1.11 110.061 177.002 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 82' ' ' THR . . . . . . . . . . . . . 29.3 m -105.83 114.5 28.69 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.149 -0.478 . . . . 1.09 109.776 179.068 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 83' ' ' MET . . . . . 0.613 ' HG3' ' HA ' ' S' ' 89' ' ' ALA . 92.3 mmm -87.25 170.38 11.5 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 123.783 0.677 . . . . 1.13 110.744 -176.331 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' S' S ' 84' ' ' LYS . . . . . 0.579 ' HE2' ' OD1' ' S' ' 60' ' ' ASP . 0.0 OUTLIER -85.08 -18.23 34.95 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.903 0.334 . . . . 2.79 111.903 -176.146 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' S' S ' 85' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -158.8 177.35 11.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.787 0.327 . . . . 1.85 110.581 -179.383 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' S' S ' 86' ' ' ARG . . . . . 0.439 ' NH1' ' HB3' ' S' ' 34' ' ' PHE . 23.9 tpt180 -73.15 -40.83 64.55 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.848 -0.614 . . . . 4.59 112.015 -174.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' S' S ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.63 -42.7 98.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.775 0.322 . . . . 1.26 111.128 -174.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 88' ' ' SER . . . . . . . . . . . . . 32.6 p -70.68 -37.65 73.65 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.788 0.327 . . . . 1.26 110.353 178.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 89' ' ' ALA . . . . . 0.613 ' HA ' ' HG3' ' S' ' 83' ' ' MET . . . -59.44 -51.76 68.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.815 -0.63 . . . . 1.17 111.626 178.194 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' S' S ' 90' ' ' GLU . . . . . 0.537 ' O ' ' HG2' ' S' ' 94' ' ' LYS . 11.5 pt-20 -74.53 -22.24 59.13 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.521 -0.472 . . . . 1.85 110.803 -179.063 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' S' S ' 91' ' ' ARG . . . . . . . . . . . . . 40.8 ttp180 -66.37 -32.36 73.69 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.818 -0.438 . . . . 3.45 109.818 174.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 92' ' ' ALA . . . . . . . . . . . . . . . -77.51 -34.03 54.16 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.939 -0.573 . . . . 1.15 109.891 174.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 93' ' ' CYS . . . . . . . . . . . . . 44.1 t -69.48 -9.98 56.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.576 -0.738 . . . . 2.24 110.743 178.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 94' ' ' LYS . . . . . 0.537 ' HG2' ' O ' ' S' ' 90' ' ' GLU . 34.3 mmtp -69.38 -14.93 63.17 Favored 'General case' 0 CA--C 1.528 0.123 0 CA-C-N 116.292 -0.413 . . . . 3.42 111.132 174.064 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' S' S ' 95' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -104.55 97.92 13.44 Favored Pre-proline 0 C--N 1.327 -0.408 0 N-CA-C 109.463 -0.569 . . . . 2.13 109.463 178.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 96' ' ' PRO . . . . . 0.477 ' HD3' ' O ' ' S' ' 94' ' ' LYS . 14.4 Cg_exo -69.4 -55.48 0.19 Allowed 'Trans proline' 0 C--O 1.237 0.464 0 C-N-CA 123.063 2.509 . . . . 1.08 112.46 -174.676 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' S' S ' 97' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -126.19 83.9 62.75 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 115.891 -0.595 . . . . 1.08 110.554 -179.097 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 98' ' ' PRO . . . . . 0.401 ' HG2' ' HB1' ' S' ' 105' ' ' ALA . 95.7 Cg_endo -81.98 153.58 16.97 Favored 'Trans proline' 0 N--CA 1.457 -0.657 0 C-N-CA 122.635 2.223 . . . . 0.76 112.216 178.709 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' S' S ' 99' ' ' ILE . . . . . . . . . . . . . 46.7 mm -95.11 106.97 18.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 121.265 0.555 . . . . 1.19 109.822 177.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 100' ' ' ILE . . . . . . . . . . . . . 53.8 mt -117.8 122.69 70.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.897 -0.592 . . . . 1.18 109.83 -178.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 101' ' ' ASP . . . . . . . . . . . . . 19.8 t70 64.85 15.2 9.73 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.68 0.752 . . . . 1.4 110.953 175.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 102' ' ' GLY . . . . . . . . . . . . . . . 99.76 1.2 56.33 Favored Glycine 0 N--CA 1.449 -0.438 0 CA-C-N 115.716 -0.675 . . . . 0.93 112.842 179.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 103' ' ' ARG . . . . . 0.434 ' NE ' ' HA ' ' S' ' 103' ' ' ARG . 2.0 tpm_? -119.82 156.2 31.12 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 122.658 -0.319 . . . . 3.59 110.366 -177.757 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' S' S ' 104' ' ' LYS . . . . . . . . . . . . . 29.4 ttmt -82.46 121.06 26.26 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 110.256 -0.276 . . . . 2.58 110.256 175.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 105' ' ' ALA . . . . . 0.401 ' HB1' ' HG2' ' S' ' 98' ' ' PRO . . . -97.73 161.52 13.71 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.36 -0.382 . . . . 1.06 110.453 177.276 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' S' S ' 106' ' ' ASN . . . . . . . . . . . . . 46.8 m-80 -119.67 112.55 19.44 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.607 -0.516 . . . . 2.54 109.607 178.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 107' ' ' VAL . . . . . . . . . . . . . 99.3 t -103.54 126.37 58.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.845 -0.616 . . . . 1.22 111.04 -177.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 108' ' ' ASN . . . . . . . . . . . . . 32.5 p-10 -157.57 168.22 27.92 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.128 -0.487 . . . . 1.76 109.926 176.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 109' ' ' LEU . . . . . . . . . . . . . 89.2 mt -84.92 135.32 34.1 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.457 -0.338 . . . . 1.22 110.656 -178.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.76 -31.38 69.6 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.693 0.627 . . . . 1.25 112.693 -173.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 111' ' ' TYR . . . . . 0.587 ' HB3' ' HB3' ' S' ' 33' ' ' MET . 4.6 p90 . . . . . 0 C--N 1.328 -0.344 0 C-N-CA 121.203 -0.199 . . . . 1.7 111.373 -175.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 50.2 mtm . . . . . 0 N--CA 1.45 -0.439 0 CA-C-O 121.17 0.509 . . . . 2.01 110.008 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' S' S ' 34' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -93.06 6.07 49.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.536 -0.756 . . . . 1.16 110.835 -176.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 35' ' ' THR . . . . . 0.433 ' O ' ' HA ' ' S' ' 82' ' ' THR . 12.7 p -114.38 -8.65 12.83 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.103 0.478 . . . . 1.22 110.533 -177.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 36' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -103.68 103.14 13.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.267 -0.879 . . . . 2.47 110.669 -176.125 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 37' ' ' ILE . . . . . 0.423 ' CG2' HG11 ' S' ' 107' ' ' VAL . 66.5 mt -90.92 130.72 39.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 115.301 -0.863 . . . . 1.18 110.771 -177.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 38' ' ' PHE . . . . . 0.41 ' HB2' ' HB3' ' S' ' 110' ' ' ALA . 90.8 t80 -98.34 121.86 40.79 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.548 -0.538 . . . . 0.57 109.548 174.207 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 39' ' ' VAL . . . . . 0.43 HG22 HD12 ' S' ' 51' ' ' LEU . 27.9 t -117.54 98.66 6.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.314 -0.403 . . . . 1.01 110.046 178.346 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 40' ' ' GLY . . . . . . . . . . . . . . . -104.44 152.89 17.57 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.636 -0.792 . . . . 0.27 111.611 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 41' ' ' GLY . . . . . . . . . . . . . . . 98.66 34.69 5.16 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.804 -0.712 . . . . 0.49 111.769 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 42' ' ' LEU . . . . . . . . . . . . . 97.5 mt -100.38 140.05 21.14 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-O 120.787 0.327 . . . . 1.11 110.319 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 43' ' ' PRO . . . . . 0.509 ' HD2' ' OG1' ' S' ' 46' ' ' THR . 16.9 Cg_exo -68.6 168.89 18.64 Favored 'Trans proline' 0 N--CA 1.46 -0.488 0 C-N-CA 122.539 2.16 . . . . 0.62 111.77 174.091 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 44' ' ' TYR . . . . . 0.459 ' HA ' ' HB3' ' S' ' 75' ' ' SER . 19.8 m-85 -72.72 -10.53 59.91 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.212 0.529 . . . . 2.81 110.546 -176.774 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 45' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -90.96 -4.41 56.5 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.366 -0.833 . . . . 3.13 109.925 -175.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 46' ' ' THR . . . . . 0.509 ' OG1' ' HD2' ' S' ' 43' ' ' PRO . 62.6 m -92.17 113.72 26.07 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-N 115.688 -0.687 . . . . 1.14 110.378 -175.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 47' ' ' SER . . . . . . . . . . . . . 36.6 m -103.61 178.95 4.41 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.026 -0.533 . . . . 0.68 110.263 179.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 48' ' ' ASP . . . . . 0.435 ' HB2' ' O ' ' S' ' 64' ' ' ALA . 6.6 p-10 -55.08 -38.14 67.7 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.199 -0.455 . . . . 1.29 110.729 178.167 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 49' ' ' LYS . . . . . 0.523 ' O ' ' HB2' ' S' ' 53' ' ' GLU . 12.7 ptmt -61.94 -27.47 68.86 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.398 -0.819 . . . . 3.0 111.297 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 50' ' ' THR . . . . . . . . . . . . . 9.2 m -84.36 -45.59 12.62 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 120.846 0.355 . . . . 1.15 110.779 -177.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 51' ' ' LEU . . . . . 0.43 HD12 HG22 ' S' ' 39' ' ' VAL . 25.6 tp -55.31 -48.38 74.22 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-O 121.444 0.64 . . . . 1.23 109.805 174.038 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 52' ' ' HIS . . . . . . . . . . . . . 31.5 t-80 -63.38 -41.53 98.8 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.109 -0.951 . . . . 0.73 110.901 178.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 53' ' ' GLU . . . . . 0.523 ' HB2' ' O ' ' S' ' 49' ' ' LYS . 5.6 tp10 -52.32 -41.55 63.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.482 -0.781 . . . . 2.24 111.4 -177.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 54' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -81.52 -45.53 15.81 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.677 -0.692 . . . . 1.2 112.175 -174.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 55' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -85.01 -20.61 30.22 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 114.76 1.393 . . . . 0.68 114.76 -167.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 56' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -65.95 -11.55 48.37 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 118.936 0.789 . . . . 1.47 110.863 -177.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 57' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -62.94 -23.24 67.29 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.971 -0.559 . . . . 3.67 110.143 176.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 58' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -91.07 -27.39 18.63 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.669 -0.696 . . . . 0.71 111.69 -175.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 59' ' ' GLY . . . . . . . . . . . . . . . 164.98 -172.03 40.54 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.501 -0.857 . . . . 0.51 112.659 -179.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 60' ' ' ASP . . . . . 0.57 ' HB2' ' HB3' ' S' ' 84' ' ' LYS . 3.0 m-20 -62.28 124.33 20.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.867 0.365 . . . . 1.99 111.57 -179.229 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 61' ' ' ILE . . . . . 0.566 HG22 ' HB3' ' S' ' 64' ' ' ALA . 47.5 mt -104.32 120.71 55.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.839 -0.619 . . . . 1.13 110.096 173.758 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 62' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -92.15 -32.87 14.95 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.373 -0.376 . . . . 1.91 110.695 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 63' ' ' GLU . . . . . 0.408 ' HB3' ' HB ' ' S' ' 82' ' ' THR . 31.6 tt0 -140.11 126.22 19.79 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 110.041 -0.355 . . . . 1.81 110.041 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 64' ' ' ALA . . . . . 0.566 ' HB3' HG22 ' S' ' 61' ' ' ILE . . . -150.34 101.74 3.0 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.581 0.229 . . . . 1.14 110.674 178.422 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 65' ' ' VAL . . . . . . . . . . . . . 34.9 m -139.05 144.09 30.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.421 -0.354 . . . . 1.07 111.275 -179.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 66' ' ' VAL . . . . . . . . . . . . . 89.2 t -96.74 121.94 47.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 108.925 -0.769 . . . . 1.07 108.925 172.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 67' ' ' ILE . . . . . . . . . . . . . 48.7 mm -73.56 116.98 16.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.275 0.56 . . . . 1.19 111.879 -170.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 68' ' ' THR . . . . . . . . . . . . . 4.0 p -92.51 142.23 27.63 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.481 -0.781 . . . . 1.27 109.725 172.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 69' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -64.26 139.31 58.75 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 110.08 -0.341 . . . . 1.75 110.08 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 70' ' ' ARG . . . . . . . . . . . . . 41.0 mtp180 -74.59 -23.09 58.69 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 111.82 0.304 . . . . 4.77 111.82 -174.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 71' ' ' ASN . . . . . . . . . . . . . 46.7 t-20 -85.39 -56.61 3.44 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.81 0.338 . . . . 2.82 110.261 -177.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 72' ' ' THR . . . . . 0.43 ' HB ' ' HG2' ' S' ' 74' ' ' LYS . 32.1 p -89.49 -20.6 23.65 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.087 -0.506 . . . . 2.27 112.364 -175.2 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 73' ' ' GLN . . . . . . . . . . . . . 17.7 mm-40 64.36 28.92 13.71 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 121.34 0.591 . . . . 2.59 111.27 -178.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 74' ' ' LYS . . . . . 0.43 ' HG2' ' HB ' ' S' ' 72' ' ' THR . 29.0 mmmt -104.56 154.59 19.73 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.803 -0.814 . . . . 3.24 108.803 175.466 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 75' ' ' SER . . . . . 0.459 ' HB3' ' HA ' ' S' ' 44' ' ' TYR . 44.7 t -65.26 132.63 49.55 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.85 0.357 . . . . 1.54 110.697 179.542 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 76' ' ' ARG . . . . . . . . . . . . . 92.6 mtt180 -83.92 -3.08 57.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.265 -0.425 . . . . 2.96 111.141 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 77' ' ' GLY . . . . . . . . . . . . . . . 83.72 30.46 29.45 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.644 -0.789 . . . . 0.63 113.337 174.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 78' ' ' TYR . . . . . . . . . . . . . 24.1 p90 -161.67 156.57 23.23 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 110.128 -0.323 . . . . 1.05 110.128 176.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 79' ' ' GLY . . . . . . . . . . . . . . . -145.14 169.41 26.82 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.838 -0.696 . . . . 0.19 112.051 178.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 80' ' ' PHE . . . . . 0.403 ' CE1' ' HD1' ' S' ' 38' ' ' PHE . 96.6 m-85 -122.04 138.45 54.43 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.629 0.252 . . . . 0.47 110.53 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 81' ' ' VAL . . . . . . . . . . . . . 42.3 t -122.69 122.48 66.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.29 -0.414 . . . . 1.11 110.844 178.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 82' ' ' THR . . . . . 0.433 ' HA ' ' O ' ' S' ' 35' ' ' THR . 58.3 m -102.62 114.24 28.3 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.657 -0.497 . . . . 1.09 109.657 175.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 83' ' ' MET . . . . . 0.617 ' HG3' ' HA ' ' S' ' 89' ' ' ALA . 98.2 mmm -92.29 165.47 13.08 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.798 -0.637 . . . . 1.13 111.046 -177.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 84' ' ' LYS . . . . . 0.57 ' HB3' ' HB2' ' S' ' 60' ' ' ASP . 12.5 ptmm? -56.82 -45.76 82.09 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.434 -0.803 . . . . 2.79 112.194 179.63 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 85' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -146.73 170.41 17.04 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.845 -0.428 . . . . 1.85 109.845 -177.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 86' ' ' ARG . . . . . 0.511 ' O ' ' HG3' ' S' ' 90' ' ' GLU . 39.2 ptt180 -69.29 -32.73 72.07 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.059 -0.519 . . . . 4.59 111.993 -174.745 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 87' ' ' ALA . . . . . . . . . . . . . . . -71.63 -43.52 66.01 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.87 0.367 . . . . 1.26 110.46 -177.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 88' ' ' SER . . . . . . . . . . . . . 50.8 m -63.32 -39.5 94.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.158 0.504 . . . . 1.26 110.011 175.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 89' ' ' ALA . . . . . 0.617 ' HA ' ' HG3' ' S' ' 83' ' ' MET . . . -59.97 -42.72 94.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.578 -0.737 . . . . 1.17 110.927 174.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 90' ' ' GLU . . . . . 0.518 ' O ' ' HG2' ' S' ' 94' ' ' LYS . 44.7 mt-10 -62.03 -35.41 78.51 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 116.55 -0.295 . . . . 1.85 111.174 177.402 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 91' ' ' ARG . . . . . . . . . . . . . 53.5 ttt180 -62.28 -37.77 86.79 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 110.04 -0.355 . . . . 3.45 110.04 177.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 92' ' ' ALA . . . . . . . . . . . . . . . -71.18 -35.88 71.77 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.945 -0.57 . . . . 1.15 110.598 176.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 93' ' ' CYS . . . . . . . . . . . . . 22.3 t -78.63 0.1 27.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.804 -0.634 . . . . 2.24 110.945 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 94' ' ' LYS . . . . . 0.518 ' HG2' ' O ' ' S' ' 90' ' ' GLU . 37.9 mmtm -71.81 -11.58 60.87 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.366 -0.379 . . . . 3.42 110.765 172.248 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 95' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -111.65 85.77 6.37 Favored Pre-proline 0 C--N 1.327 -0.386 0 N-CA-C 109.318 -0.623 . . . . 2.13 109.318 170.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 96' ' ' PRO . . . . . 0.409 ' HD3' ' O ' ' S' ' 94' ' ' LYS . 19.6 Cg_exo -66.73 -33.43 34.81 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.941 2.427 . . . . 1.08 112.089 -176.713 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 97' ' ' ASN . . . . . 0.467 ' HA ' ' O ' ' S' ' 105' ' ' ALA . 10.1 m120 -125.28 85.02 58.89 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 115.978 -0.555 . . . . 1.08 110.427 178.422 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 98' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -83.95 149.18 12.28 Favored 'Trans proline' 0 N--CA 1.455 -0.781 0 C-N-CA 122.844 2.363 . . . . 0.76 111.653 176.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 99' ' ' ILE . . . . . . . . . . . . . 47.9 mm -97.52 91.47 2.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 121.629 0.728 . . . . 1.19 110.052 178.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 100' ' ' ILE . . . . . . . . . . . . . 58.5 mt -102.49 118.44 49.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 115.281 -0.872 . . . . 1.18 109.884 -178.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 101' ' ' ASP . . . . . . . . . . . . . 33.0 t70 65.06 14.42 9.35 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-O 122.042 0.925 . . . . 1.4 110.448 -177.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 102' ' ' GLY . . . . . . . . . . . . . . . 93.84 -1.19 68.0 Favored Glycine 0 N--CA 1.448 -0.502 0 CA-C-N 115.737 -0.665 . . . . 0.93 112.027 -178.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 103' ' ' ARG . . . . . . . . . . . . . 2.7 tpp180 -99.63 138.47 36.66 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.592 -0.522 . . . . 3.59 109.592 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 104' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -84.3 103.15 13.23 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.846 -0.428 . . . . 2.58 109.846 179.059 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 105' ' ' ALA . . . . . 0.467 ' O ' ' HA ' ' S' ' 97' ' ' ASN . . . -82.86 164.5 20.48 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.86 -0.609 . . . . 1.06 111.125 -177.155 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 106' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -117.09 109.14 16.58 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.776 -0.647 . . . . 2.54 109.29 177.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 107' ' ' VAL . . . . . 0.423 HG11 ' CG2' ' S' ' 37' ' ' ILE . 76.8 t -104.76 127.63 59.07 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 115.938 -0.574 . . . . 1.22 110.609 -176.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 108' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -159.01 156.78 29.99 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.872 -0.604 . . . . 1.76 109.584 -179.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 109' ' ' LEU . . . . . . . . . . . . . 93.4 mt -70.99 123.75 22.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.055 0.455 . . . . 1.22 109.793 177.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 110' ' ' ALA . . . . . 0.41 ' HB3' ' HB2' ' S' ' 38' ' ' PHE . . . -70.57 -10.86 60.3 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 113.01 0.745 . . . . 1.25 113.01 -170.348 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 111' ' ' TYR . . . . . . . . . . . . . 8.2 p90 . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 120.674 0.273 . . . . 1.7 111.313 -175.91 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 27.1 ttt . . . . . 0 N--CA 1.451 -0.38 0 CA-C-O 121.01 0.433 . . . . 2.01 110.595 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' S' S ' 34' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -96.9 1.15 50.16 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.875 -0.602 . . . . 1.16 110.998 -174.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 35' ' ' THR . . . . . 0.445 ' O ' ' HA ' ' S' ' 82' ' ' THR . 25.0 p -110.4 4.48 20.66 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.401 0.619 . . . . 1.22 109.933 -178.526 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 36' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -102.18 102.77 13.24 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.078 -0.965 . . . . 2.47 110.852 -173.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 37' ' ' ILE . . . . . . . . . . . . . 66.9 mt -97.42 136.03 29.67 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-N 115.28 -0.873 . . . . 1.18 110.703 -178.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 38' ' ' PHE . . . . . 0.403 ' HD1' ' CE1' ' S' ' 80' ' ' PHE . 84.9 t80 -98.35 126.88 44.04 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.177 -0.675 . . . . 0.57 109.177 175.362 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 39' ' ' VAL . . . . . . . . . . . . . 20.5 t -120.23 96.37 4.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 120.946 0.403 . . . . 1.01 110.356 177.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 40' ' ' GLY . . . . . . . . . . . . . . . -109.5 170.47 14.42 Favored Glycine 0 N--CA 1.449 -0.5 0 N-CA-C 110.927 -0.869 . . . . 0.27 110.927 177.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 41' ' ' GLY . . . . . . . . . . . . . . . 88.33 7.61 72.55 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.381 -0.914 . . . . 0.49 112.05 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 42' ' ' LEU . . . . . . . . . . . . . 96.3 mt -74.35 157.36 86.56 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-N 115.775 -0.213 . . . . 1.11 110.462 -179.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 43' ' ' PRO . . . . . 0.475 ' HG2' ' HB3' ' S' ' 101' ' ' ASP . 44.9 Cg_exo -58.15 152.32 53.17 Favored 'Trans proline' 0 N--CA 1.459 -0.512 0 C-N-CA 122.333 2.022 . . . . 0.62 111.33 169.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 44' ' ' TYR . . . . . 0.957 ' HH ' ' HZ3' ' S' ' 74' ' ' LYS . 66.5 t80 -59.87 -33.78 72.27 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 112.667 0.617 . . . . 2.81 112.667 -173.813 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 45' ' ' HIS . . . . . . . . . . . . . 10.2 p80 -104.52 25.92 9.65 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.05 0.389 . . . . 3.13 112.05 -172.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 46' ' ' THR . . . . . . . . . . . . . 85.5 m -71.61 123.19 21.94 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.836 0.35 . . . . 1.14 110.083 178.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 47' ' ' SER . . . . . . . . . . . . . 31.5 m -88.11 157.43 18.85 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-O 120.952 0.406 . . . . 0.68 111.134 -177.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 48' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -54.09 -45.7 71.88 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.338 -0.846 . . . . 1.29 111.322 -178.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 49' ' ' LYS . . . . . 0.458 ' O ' ' HB2' ' S' ' 53' ' ' GLU . 13.0 ptmm? -59.46 -32.59 70.37 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-N 116.3 -0.409 . . . . 3.0 111.21 -179.564 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 50' ' ' THR . . . . . . . . . . . . . 40.9 m -71.31 -39.39 71.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.85 0.357 . . . . 1.15 110.974 -177.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 51' ' ' LEU . . . . . 0.616 HD23 ' HA3' ' S' ' 79' ' ' GLY . 47.9 tp -64.11 -47.67 79.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.045 0.45 . . . . 1.23 110.189 176.38 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 52' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -61.15 -44.44 97.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.633 -0.712 . . . . 0.73 110.72 178.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 53' ' ' GLU . . . . . 0.458 ' HB2' ' O ' ' S' ' 49' ' ' LYS . 30.6 tt0 -59.79 -36.39 76.6 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.462 -0.79 . . . . 2.24 111.776 -177.062 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 54' ' ' TYR . . . . . . . . . . . . . 71.3 t80 -76.49 -40.47 50.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.898 0.38 . . . . 1.2 111.161 -178.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 55' ' ' PHE . . . . . 0.58 ' HA ' ' HD2' ' S' ' 58' ' ' PHE . 27.4 m-85 -79.01 -19.49 51.43 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 111.961 0.356 . . . . 0.68 111.961 -177.316 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 56' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -52.2 -25.97 10.48 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.941 -0.572 . . . . 1.47 111.004 176.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 57' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -71.58 -37.93 70.98 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.55 0.69 . . . . 3.67 110.84 -177.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 58' ' ' PHE . . . . . 0.58 ' HD2' ' HA ' ' S' ' 55' ' ' PHE . 87.2 m-85 -75.62 -30.52 59.55 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.914 -1.039 . . . . 0.71 111.697 -175.01 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 59' ' ' GLY . . . . . . . . . . . . . . . 171.53 -163.1 35.73 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.26 -0.971 . . . . 0.51 112.498 178.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 60' ' ' ASP . . . . . 0.981 ' HB3' ' HG2' ' S' ' 84' ' ' LYS . 27.5 t0 -88.68 143.35 26.99 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.02 0.438 . . . . 1.99 110.095 -178.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 61' ' ' ILE . . . . . . . . . . . . . 20.7 mt -121.96 136.53 58.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 115.898 -0.592 . . . . 1.13 110.549 -170.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 62' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -86.64 -36.15 18.95 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.739 -0.384 . . . . 1.91 110.46 177.058 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 63' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -164.79 136.51 4.35 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.499 -0.318 . . . . 1.81 110.567 174.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 64' ' ' ALA . . . . . . . . . . . . . . . -145.12 108.65 4.65 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.657 -0.497 . . . . 1.14 109.657 177.011 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 65' ' ' VAL . . . . . . . . . . . . . 24.3 m -136.4 148.71 27.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 120.946 0.403 . . . . 1.07 111.873 -174.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 66' ' ' VAL . . . . . . . . . . . . . 87.8 t -90.44 116.14 31.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 109.025 -0.732 . . . . 1.07 109.025 172.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 67' ' ' ILE . . . . . . . . . . . . . 46.2 mm -70.06 125.61 28.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.117 -0.492 . . . . 1.19 111.409 -173.075 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 68' ' ' THR . . . . . . . . . . . . . 9.5 p -82.53 138.62 34.24 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.548 -0.751 . . . . 1.27 109.518 175.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 69' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -56.53 136.31 54.32 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-O 121.222 0.534 . . . . 1.75 110.358 -178.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 70' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -78.83 -12.98 60.05 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 116.154 -0.475 . . . . 4.77 111.477 -171.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 71' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -95.19 -56.48 2.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.96 0.409 . . . . 2.82 110.732 177.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 72' ' ' THR . . . . . 0.429 ' O ' ' HB2' ' S' ' 73' ' ' GLN . 38.0 p -86.81 -23.21 25.43 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.959 -0.564 . . . . 2.27 112.353 -174.694 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 73' ' ' GLN . . . . . 0.429 ' HB2' ' O ' ' S' ' 72' ' ' THR . 25.7 mm-40 73.14 11.67 5.06 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.382 0.673 . . . . 2.59 111.111 -176.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 74' ' ' LYS . . . . . 0.957 ' HZ3' ' HH ' ' S' ' 44' ' ' TYR . 3.3 mmmp? -94.28 156.95 16.27 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.44 -0.578 . . . . 3.24 109.44 176.038 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 75' ' ' SER . . . . . . . . . . . . . 15.2 m -56.74 145.55 28.73 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.689 0.28 . . . . 1.54 111.016 -178.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 76' ' ' ARG . . . . . 0.407 ' HB3' ' CE1' ' S' ' 78' ' ' TYR . 81.8 mtt180 -100.49 -3.53 30.62 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.161 0.43 . . . . 2.96 112.161 -179.367 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 77' ' ' GLY . . . . . . . . . . . . . . . 77.16 29.45 56.59 Favored Glycine 0 CA--C 1.521 0.447 0 C-N-CA 120.522 -0.847 . . . . 0.63 113.335 177.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 78' ' ' TYR . . . . . 0.407 ' CE1' ' HB3' ' S' ' 76' ' ' ARG . 22.5 p90 -157.77 157.23 32.99 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.738 -0.468 . . . . 1.05 109.738 174.63 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 79' ' ' GLY . . . . . 0.616 ' HA3' HD23 ' S' ' 51' ' ' LEU . . . -141.04 163.14 26.71 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.303 -0.951 . . . . 0.19 112.36 -179.194 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 80' ' ' PHE . . . . . 0.403 ' CE1' ' HD1' ' S' ' 38' ' ' PHE . 97.3 m-85 -114.66 138.48 50.64 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.786 -0.45 . . . . 0.47 109.786 175.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 81' ' ' VAL . . . . . . . . . . . . . 43.5 t -121.05 125.22 73.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.151 -0.477 . . . . 1.11 110.568 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 82' ' ' THR . . . . . 0.445 ' HA ' ' O ' ' S' ' 35' ' ' THR . 17.1 m -111.38 107.03 16.14 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.213 -0.662 . . . . 1.09 109.213 175.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 83' ' ' MET . . . . . 0.643 ' HG3' ' HA ' ' S' ' 89' ' ' ALA . 93.9 mmm -82.36 158.6 23.31 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.873 -0.603 . . . . 1.13 110.23 -177.539 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 84' ' ' LYS . . . . . 0.981 ' HG2' ' HB3' ' S' ' 60' ' ' ASP . 0.0 OUTLIER -75.34 -22.04 57.91 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.346 -0.388 . . . . 2.79 111.536 -176.378 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' S' S ' 85' ' ' ASP . . . . . 0.552 ' HB2' ' HD3' ' S' ' 84' ' ' LYS . 32.7 t70 -149.72 159.55 44.25 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 110.079 -0.341 . . . . 1.85 110.079 -175.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 86' ' ' ARG . . . . . 0.482 ' O ' ' HG2' ' S' ' 90' ' ' GLU . 60.5 ttt180 -67.5 -38.05 83.73 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 111.88 0.326 . . . . 4.59 111.88 -177.379 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.89 -50.15 74.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.79 0.329 . . . . 1.26 111.25 -174.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 88' ' ' SER . . . . . . . . . . . . . 3.0 p -65.83 -36.22 82.87 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.841 0.353 . . . . 1.26 110.857 177.095 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 89' ' ' ALA . . . . . 0.643 ' HA ' ' HG3' ' S' ' 83' ' ' MET . . . -61.06 -54.92 38.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.995 -0.548 . . . . 1.17 111.8 178.168 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 90' ' ' GLU . . . . . 0.482 ' HG2' ' O ' ' S' ' 86' ' ' ARG . 22.2 pt-20 -71.85 -22.52 61.52 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 121.074 -0.251 . . . . 1.85 110.994 -177.367 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 91' ' ' ARG . . . . . . . . . . . . . 68.6 ttt180 -61.08 -42.9 99.37 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.992 0.425 . . . . 3.45 110.077 173.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.76 -31.95 68.93 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.866 -0.607 . . . . 1.15 110.493 177.124 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 93' ' ' CYS . . . . . . . . . . . . . 44.3 t -75.31 -10.24 59.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.943 -0.571 . . . . 2.24 111.207 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 94' ' ' LYS . . . . . 0.426 ' HB3' ' HE3' ' S' ' 94' ' ' LYS . 24.5 mmmt -64.4 -22.1 66.85 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.642 -0.254 . . . . 3.42 110.983 175.477 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 95' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -114.47 101.04 54.0 Favored Pre-proline 0 C--N 1.327 -0.379 0 N-CA-C 109.505 -0.554 . . . . 2.13 109.505 176.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 96' ' ' PRO . . . . . 0.439 ' O ' ' HA ' ' S' ' 106' ' ' ASN . 67.4 Cg_endo -74.85 -24.89 12.71 Favored 'Trans proline' 0 N--CA 1.46 -0.49 0 C-N-CA 122.509 2.139 . . . . 1.08 113.334 -175.044 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 97' ' ' ASN . . . . . 0.576 ' HA ' ' O ' ' S' ' 105' ' ' ALA . 10.5 m120 -137.97 74.09 44.5 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 120.658 0.266 . . . . 1.08 111.061 -175.104 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 98' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -84.53 156.33 12.28 Favored 'Trans proline' 0 N--CA 1.457 -0.675 0 C-N-CA 122.969 2.446 . . . . 0.76 111.811 177.383 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 99' ' ' ILE . . . . . . . . . . . . . 44.8 mm -90.35 100.73 11.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 116.076 -0.511 . . . . 1.19 110.064 177.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 100' ' ' ILE . . . . . . . . . . . . . 49.6 mt -107.15 116.79 51.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 116.215 -0.448 . . . . 1.18 109.862 179.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 101' ' ' ASP . . . . . 0.475 ' HB3' ' HG2' ' S' ' 43' ' ' PRO . 34.3 t70 59.87 22.63 11.6 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 115.276 -0.875 . . . . 1.4 111.323 177.028 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 102' ' ' GLY . . . . . . . . . . . . . . . 98.55 4.6 57.1 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.695 -0.764 . . . . 0.93 113.306 175.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 103' ' ' ARG . . . . . 0.495 ' HE ' ' HA ' ' S' ' 103' ' ' ARG . 0.0 OUTLIER -123.35 152.81 41.12 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 117.482 0.641 . . . . 3.59 110.799 179.912 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' S' S ' 104' ' ' LYS . . . . . . . . . . . . . 39.5 mtpt -80.11 111.06 16.1 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-N 116.265 -0.425 . . . . 2.58 110.77 175.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 105' ' ' ALA . . . . . 0.576 ' O ' ' HA ' ' S' ' 97' ' ' ASN . . . -93.8 161.83 14.17 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.762 -0.654 . . . . 1.06 110.097 177.032 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 106' ' ' ASN . . . . . 0.439 ' HA ' ' O ' ' S' ' 96' ' ' PRO . 7.3 t30 -117.12 109.68 17.24 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 109.004 -0.739 . . . . 2.54 109.004 176.078 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 107' ' ' VAL . . . . . . . . . . . . . 88.7 t -107.65 126.48 64.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.878 -0.601 . . . . 1.22 110.087 -177.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 108' ' ' ASN . . . . . . . . . . . . . 29.5 p-10 -168.84 170.05 9.44 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.098 -0.501 . . . . 1.76 110.481 177.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 109' ' ' LEU . . . . . 0.428 HD11 ' HE2' ' S' ' 111' ' ' TYR . 92.6 mt -70.78 123.24 21.48 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.208 -0.451 . . . . 1.22 110.151 178.472 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.8 -29.77 70.97 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 113.057 0.762 . . . . 1.25 113.057 -170.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 111' ' ' TYR . . . . . 0.428 ' HE2' HD11 ' S' ' 109' ' ' LEU . 31.4 p90 . . . . . 0 C--N 1.328 -0.361 0 C-N-CA 120.983 -0.287 . . . . 1.7 111.407 -175.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 88.3 mtp . . . . . 0 N--CA 1.454 -0.26 0 CA-C-O 120.979 0.418 . . . . 2.01 110.36 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' S' S ' 34' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -97.92 3.46 49.65 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.805 -0.634 . . . . 1.16 111.553 -176.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 35' ' ' THR . . . . . . . . . . . . . 7.1 p -114.53 -11.79 12.38 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.037 0.446 . . . . 1.22 110.875 -178.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 36' ' ' LYS . . . . . . . . . . . . . 73.5 tttt -102.47 115.45 30.61 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.027 -0.533 . . . . 2.47 110.084 -177.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 37' ' ' ILE . . . . . . . . . . . . . 66.9 mt -96.3 131.38 43.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.796 -0.638 . . . . 1.18 110.797 -178.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 38' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -97.17 116.47 29.43 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.577 -0.738 . . . . 0.57 109.147 173.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 39' ' ' VAL . . . . . . . . . . . . . 18.3 t -112.34 109.42 28.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 120.991 0.424 . . . . 1.01 110.657 -178.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 40' ' ' GLY . . . . . . . . . . . . . . . -109.14 168.08 13.2 Favored Glycine 0 N--CA 1.443 -0.891 0 C-N-CA 120.948 -0.644 . . . . 0.27 111.727 178.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.98 17.2 63.6 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.831 -0.699 . . . . 0.49 112.566 179.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 42' ' ' LEU . . . . . . . . . . . . . 92.7 mt -82.1 145.79 53.65 Favored Pre-proline 0 C--N 1.328 -0.362 0 O-C-N 122.796 -0.238 . . . . 1.11 110.433 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 43' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.15 160.19 8.71 Favored 'Trans proline' 0 CA--C 1.532 0.399 0 C-N-CA 122.552 2.168 . . . . 0.62 112.402 175.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 44' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -75.52 1.84 13.19 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 113.389 0.885 . . . . 2.81 113.389 -165.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 45' ' ' HIS . . . . . . . . . . . . . 7.9 p80 -140.83 13.19 2.28 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 121.73 -0.607 . . . . 3.13 110.962 178.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 46' ' ' THR . . . . . . . . . . . . . 86.9 m -76.15 114.82 15.24 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 108.995 -0.743 . . . . 1.14 108.995 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 47' ' ' SER . . . . . . . . . . . . . 50.4 m -97.45 -177.27 3.76 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.185 0.517 . . . . 0.68 111.996 -171.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 48' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -59.88 -38.24 81.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.058 -0.974 . . . . 1.29 111.994 -174.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 49' ' ' LYS . . . . . 0.477 ' HG3' ' N ' ' S' ' 50' ' ' THR . 5.0 ptpp? -59.24 -33.55 71.15 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.876 0.369 . . . . 3.0 110.837 -178.436 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' S' S ' 50' ' ' THR . . . . . 0.477 ' N ' ' HG3' ' S' ' 49' ' ' LYS . 7.9 m -76.6 -47.91 20.87 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.126 -0.488 . . . . 1.15 110.809 -177.205 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' S' S ' 51' ' ' LEU . . . . . . . . . . . . . 21.1 tp -64.22 -42.59 96.5 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.418 -0.355 . . . . 1.23 110.92 -179.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 52' ' ' HIS . . . . . . . . . . . . . 11.2 t-80 -61.36 -52.2 65.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.08 -0.509 . . . . 0.73 110.873 178.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 53' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -60.31 -30.04 69.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 2.24 111.643 -175.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 54' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -74.54 -49.96 19.93 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.395 -0.366 . . . . 1.2 111.469 -179.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 55' ' ' PHE . . . . . 0.428 ' HA ' ' HD2' ' S' ' 58' ' ' PHE . 38.9 m-85 -78.03 -20.77 51.81 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.655 0.613 . . . . 0.68 112.655 -173.396 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' S' S ' 56' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -64.49 -20.7 66.36 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.244 0.545 . . . . 1.47 110.748 -179.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 57' ' ' GLN . . . . . . . . . . . . . 34.0 tp60 -62.7 -32.14 73.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.566 -0.743 . . . . 3.67 110.711 173.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 58' ' ' PHE . . . . . 0.428 ' HD2' ' HA ' ' S' ' 55' ' ' PHE . 85.6 m-85 -89.0 -12.23 42.0 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.818 0.342 . . . . 0.71 111.035 -177.034 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' S' S ' 59' ' ' GLY . . . . . . . . . . . . . . . 160.94 167.92 22.08 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.693 -0.765 . . . . 0.51 112.095 179.003 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 60' ' ' ASP . . . . . 0.628 ' HB2' ' HD2' ' S' ' 84' ' ' LYS . 3.6 m-20 -68.02 144.84 54.96 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 110.143 -0.318 . . . . 1.99 110.143 -179.387 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' S' S ' 61' ' ' ILE . . . . . . . . . . . . . 75.3 mt -118.71 139.28 46.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.996 0.427 . . . . 1.13 111.493 -172.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 62' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -76.65 -55.61 5.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.003 -0.544 . . . . 1.91 110.148 173.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 63' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -161.94 120.71 2.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.682 -0.69 . . . . 1.81 110.489 -176.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 64' ' ' ALA . . . . . 0.484 ' HA ' ' O ' ' S' ' 80' ' ' PHE . . . -126.18 110.17 13.17 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.935 -0.575 . . . . 1.14 110.617 178.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' S' S ' 65' ' ' VAL . . . . . . . . . . . . . 33.9 m -131.16 142.96 42.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.824 0.345 . . . . 1.07 111.017 -177.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 66' ' ' VAL . . . . . 0.479 HG11 ' O ' ' S' ' 78' ' ' TYR . 94.3 t -95.49 123.03 47.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 108.616 -0.883 . . . . 1.07 108.616 172.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' S' S ' 67' ' ' ILE . . . . . . . . . . . . . 49.3 mm -68.97 126.72 29.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.048 -0.524 . . . . 1.19 111.48 -170.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 68' ' ' THR . . . . . . . . . . . . . 4.7 p -99.93 131.84 45.65 Favored 'General case' 0 N--CA 1.443 -0.817 0 CA-C-N 115.349 -0.842 . . . . 1.27 109.39 176.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 69' ' ' ASP . . . . . 0.491 ' HB3' ' OG1' ' S' ' 72' ' ' THR . 28.3 t70 -64.25 148.18 50.74 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.322 -0.399 . . . . 1.75 110.904 -176.357 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' S' S ' 70' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 -73.35 -22.75 60.22 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.187 -0.46 . . . . 4.77 111.629 -174.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 71' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -94.85 -52.02 4.44 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.505 -0.316 . . . . 2.82 111.07 -178.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 72' ' ' THR . . . . . 0.491 ' OG1' ' HB3' ' S' ' 69' ' ' ASP . 39.9 p -82.78 -23.75 33.74 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.347 -0.388 . . . . 2.27 111.75 -176.298 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' S' S ' 73' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 58.64 30.5 19.97 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 121.315 0.579 . . . . 2.59 111.316 -177.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 74' ' ' LYS . . . . . . . . . . . . . 58.8 mttp -124.95 168.56 13.13 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.321 -0.854 . . . . 3.24 109.913 178.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 75' ' ' SER . . . . . . . . . . . . . 37.1 m -60.41 130.84 48.62 Favored 'General case' 0 C--N 1.329 -0.316 0 O-C-N 123.735 0.647 . . . . 1.54 111.388 -177.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 76' ' ' ARG . . . . . 0.518 ' HD3' ' HH ' ' S' ' 78' ' ' TYR . 86.4 mtt180 -84.82 6.64 23.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.008 0.432 . . . . 2.96 111.162 176.391 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' S' S ' 77' ' ' GLY . . . . . . . . . . . . . . . 81.41 17.41 71.36 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.503 -0.856 . . . . 0.63 112.902 175.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 78' ' ' TYR . . . . . 0.518 ' HH ' ' HD3' ' S' ' 76' ' ' ARG . 22.1 p90 -152.48 153.97 34.57 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 110.022 -0.362 . . . . 1.05 110.022 176.588 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' S' S ' 79' ' ' GLY . . . . . . . . . . . . . . . -142.5 165.08 26.86 Favored Glycine 0 N--CA 1.445 -0.735 0 C-N-CA 120.807 -0.711 . . . . 0.19 112.0 179.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 80' ' ' PHE . . . . . 0.484 ' O ' ' HA ' ' S' ' 64' ' ' ALA . 88.9 m-85 -117.67 134.93 54.37 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.899 -0.408 . . . . 0.47 109.899 178.599 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' S' S ' 81' ' ' VAL . . . . . 0.469 HG11 ' HB3' ' S' ' 64' ' ' ALA . 48.4 t -123.17 109.16 22.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.324 -0.398 . . . . 1.11 110.578 -179.791 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' S' S ' 82' ' ' THR . . . . . . . . . . . . . 20.8 m -90.91 112.77 24.76 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 109.233 -0.654 . . . . 1.09 109.233 177.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 83' ' ' MET . . . . . 0.546 ' HG3' ' HA ' ' S' ' 89' ' ' ALA . 94.6 mmm -85.23 165.09 17.65 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 123.366 0.416 . . . . 1.13 110.629 -177.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' S' S ' 84' ' ' LYS . . . . . 0.628 ' HD2' ' HB2' ' S' ' 60' ' ' ASP . 13.8 ptmm? -63.42 -41.55 98.71 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.876 -0.602 . . . . 2.79 110.963 179.127 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' S' S ' 85' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -137.88 170.36 16.19 Favored 'General case' 0 CA--C 1.511 -0.541 0 CA-C-N 115.437 -0.801 . . . . 1.85 110.162 -175.073 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 86' ' ' ARG . . . . . . . . . . . . . 36.4 ptt180 -74.38 -22.98 58.93 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.468 -0.787 . . . . 4.59 109.752 173.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 87' ' ' ALA . . . . . . . . . . . . . . . -75.83 -38.98 57.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 1.26 110.899 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 88' ' ' SER . . . . . 0.538 ' HG ' ' HB3' ' S' ' 83' ' ' MET . 29.5 p -70.61 -39.41 73.77 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.261 -0.644 . . . . 1.26 109.261 175.47 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' S' S ' 89' ' ' ALA . . . . . 0.546 ' HA ' ' HG3' ' S' ' 83' ' ' MET . . . -56.56 -49.05 75.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.163 -0.926 . . . . 1.17 111.053 174.081 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' S' S ' 90' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -55.94 -41.61 74.92 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 116.338 -0.392 . . . . 1.85 111.394 177.122 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 91' ' ' ARG . . . . . . . . . . . . . 37.4 ttp180 -68.26 -22.97 64.72 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.347 -0.388 . . . . 3.45 110.792 -177.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 92' ' ' ALA . . . . . . . . . . . . . . . -89.69 -32.27 17.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.175 -0.466 . . . . 1.15 111.024 176.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 93' ' ' CYS . . . . . . . . . . . . . 52.4 m -93.79 7.89 43.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.172 0.51 . . . . 2.24 110.892 -178.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 94' ' ' LYS . . . . . . . . . . . . . 14.2 tppt? -67.94 -11.57 59.05 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.747 -0.66 . . . . 3.42 110.969 179.062 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 95' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -129.13 115.39 18.73 Favored Pre-proline 0 C--N 1.323 -0.573 0 N-CA-C 108.903 -0.777 . . . . 2.13 108.903 171.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 96' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -69.55 -25.58 29.45 Favored 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 122.433 2.089 . . . . 1.08 113.389 -175.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 97' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -136.31 75.34 52.69 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-O 120.611 0.243 . . . . 1.08 111.47 -175.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 98' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -87.94 161.2 7.44 Favored 'Trans proline' 0 N--CA 1.452 -0.964 0 C-N-CA 122.61 2.207 . . . . 0.76 111.62 176.114 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 99' ' ' ILE . . . . . . . . . . . . . 52.0 mm -90.81 107.34 18.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.132 -0.485 . . . . 1.19 110.247 178.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 100' ' ' ILE . . . . . . . . . . . . . 47.6 mt -112.74 116.76 53.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.908 -0.587 . . . . 1.18 110.238 -177.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 101' ' ' ASP . . . . . . . . . . . . . 24.8 t0 63.55 26.12 14.62 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.858 0.837 . . . . 1.4 110.544 175.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 102' ' ' GLY . . . . . . . . . . . . . . . 88.43 10.16 68.42 Favored Glycine 0 N--CA 1.449 -0.444 0 CA-C-N 115.587 -0.733 . . . . 0.93 112.619 178.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 103' ' ' ARG . . . . . . . . . . . . . 3.6 tpt180 -127.92 140.34 52.06 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.66 0.267 . . . . 3.59 110.492 -177.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 104' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -78.49 111.68 14.78 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 110.011 -0.366 . . . . 2.58 110.011 176.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 105' ' ' ALA . . . . . . . . . . . . . . . -106.88 165.71 11.13 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.011 -0.54 . . . . 1.06 111.178 -175.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 106' ' ' ASN . . . . . . . . . . . . . 62.4 m-80 -112.0 118.08 34.46 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.932 -0.576 . . . . 2.54 109.673 177.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 107' ' ' VAL . . . . . . . . . . . . . 55.9 t -109.13 128.26 65.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.299 -0.41 . . . . 1.22 110.61 -177.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 108' ' ' ASN . . . . . . . . . . . . . 58.6 t30 -160.17 164.31 32.98 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.655 -0.498 . . . . 1.76 109.655 -178.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 109' ' ' LEU . . . . . . . . . . . . . 97.6 mt -75.03 143.81 43.35 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 120.675 0.274 . . . . 1.22 110.627 178.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.5 -26.55 68.61 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.886 0.699 . . . . 1.25 112.886 -173.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 111' ' ' TYR . . . . . . . . . . . . . 7.2 p90 . . . . . 0 C--N 1.33 -0.281 0 C-N-CA 120.388 -0.525 . . . . 1.7 110.392 -178.306 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 54.7 ttp . . . . . 0 C--O 1.232 0.151 0 CA-C-O 121.016 0.436 . . . . 2.01 110.957 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' S' S ' 34' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -106.18 5.9 30.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.193 -0.458 . . . . 1.16 111.727 -178.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 35' ' ' THR . . . . . 0.541 ' HB ' ' O ' ' S' ' 83' ' ' MET . 69.2 p -123.06 -17.0 6.84 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.318 0.58 . . . . 1.22 110.365 -178.002 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 36' ' ' LYS . . . . . . . . . . . . . 49.7 tttm -87.22 104.06 16.02 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.217 -0.901 . . . . 2.47 109.673 178.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 37' ' ' ILE . . . . . 0.434 HG12 HD21 ' S' ' 109' ' ' LEU . 42.4 mt -96.7 143.73 11.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.576 -0.738 . . . . 1.18 111.271 -177.104 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 38' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -100.61 129.02 46.48 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.013 -0.539 . . . . 0.57 109.792 176.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 39' ' ' VAL . . . . . 0.573 HG11 HG23 ' S' ' 107' ' ' VAL . 21.7 t -122.3 101.45 9.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 109.916 -0.401 . . . . 1.01 109.916 179.431 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 40' ' ' GLY . . . . . . . . . . . . . . . -108.72 167.52 13.12 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.492 -0.861 . . . . 0.27 111.881 -178.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 41' ' ' GLY . . . . . . . . . . . . . . . 86.08 15.53 64.7 Favored Glycine 0 N--CA 1.453 -0.18 0 C-N-CA 120.819 -0.705 . . . . 0.49 112.273 177.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 42' ' ' LEU . . . . . . . . . . . . . 97.1 mt -80.87 155.56 72.94 Favored Pre-proline 0 C--N 1.323 -0.549 0 N-CA-C 110.263 -0.273 . . . . 1.11 110.263 -178.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 43' ' ' PRO . . . . . 0.684 ' HG3' ' HG2' ' S' ' 103' ' ' ARG . 6.7 Cg_exo -70.95 165.53 32.01 Favored 'Trans proline' 0 N--CA 1.455 -0.792 0 C-N-CA 122.301 2.001 . . . . 0.62 111.4 172.739 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 44' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -78.95 -5.41 53.68 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.217 0.532 . . . . 2.81 109.928 -178.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 45' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 -90.74 -11.99 37.93 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.039 -0.982 . . . . 3.13 109.831 -176.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 46' ' ' THR . . . . . 0.584 ' OG1' ' HD2' ' S' ' 43' ' ' PRO . 43.3 m -78.72 117.03 19.47 Favored 'General case' 0 N--CA 1.44 -0.949 0 CA-C-N 115.958 -0.564 . . . . 1.14 110.201 -173.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 47' ' ' SER . . . . . . . . . . . . . 6.3 m -94.33 169.46 10.21 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.218 -0.446 . . . . 0.68 110.431 -178.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 48' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -56.0 -42.63 76.71 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.277 0.56 . . . . 1.29 109.951 178.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 49' ' ' LYS . . . . . . . . . . . . . 46.7 pttt -58.37 -35.52 72.1 Favored 'General case' 0 C--O 1.225 -0.216 0 CA-C-N 115.227 -0.897 . . . . 3.0 111.245 176.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 50' ' ' THR . . . . . . . . . . . . . 19.1 m -73.19 -44.16 60.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.413 -0.358 . . . . 1.15 110.847 -175.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 51' ' ' LEU . . . . . 0.521 HD23 ' HA3' ' S' ' 79' ' ' GLY . 34.0 tp -58.51 -44.35 89.43 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 120.942 0.401 . . . . 1.23 109.943 175.496 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 52' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -62.75 -51.99 64.96 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.842 -0.617 . . . . 0.73 110.678 177.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 53' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -54.9 -41.63 71.18 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.679 -0.691 . . . . 2.24 111.715 -176.128 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 54' ' ' TYR . . . . . 0.448 ' O ' ' HG2' ' S' ' 57' ' ' GLN . 87.1 t80 -70.26 -43.38 70.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.774 0.321 . . . . 1.2 111.684 -177.73 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 55' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -83.53 -19.36 35.82 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 111.921 0.341 . . . . 0.68 111.921 -175.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 56' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -52.35 -27.78 16.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.87 -0.605 . . . . 1.47 111.643 177.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 57' ' ' GLN . . . . . 0.448 ' HG2' ' O ' ' S' ' 54' ' ' TYR . 16.4 mm-40 -61.34 -35.12 76.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.531 0.681 . . . . 3.67 110.586 -177.742 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 58' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -83.54 -33.69 25.42 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.32 -0.855 . . . . 0.71 112.544 -173.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 59' ' ' GLY . . . . . . . . . . . . . . . 173.72 -175.02 46.39 Favored Glycine 0 C--O 1.229 -0.173 0 C-N-CA 119.914 -1.136 . . . . 0.51 113.041 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 60' ' ' ASP . . . . . 0.761 ' HB2' ' HG2' ' S' ' 84' ' ' LYS . 3.5 m-20 -67.67 141.48 56.67 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-O 120.821 0.343 . . . . 1.99 110.559 -178.558 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 61' ' ' ILE . . . . . 0.523 HG22 ' HB3' ' S' ' 64' ' ' ALA . 60.1 mt -120.66 128.85 76.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.805 -0.634 . . . . 1.13 110.607 -178.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 62' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -79.11 -49.6 12.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.174 -0.466 . . . . 1.91 110.078 177.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 63' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -146.05 127.37 14.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.866 -0.606 . . . . 1.81 110.582 -177.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 64' ' ' ALA . . . . . 0.523 ' HB3' HG22 ' S' ' 61' ' ' ILE . . . -139.31 107.43 5.74 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.862 -0.422 . . . . 1.14 109.862 177.446 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 65' ' ' VAL . . . . . . . . . . . . . 29.9 m -136.87 149.86 26.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.137 -0.483 . . . . 1.07 111.284 -177.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 66' ' ' VAL . . . . . . . . . . . . . 99.4 t -103.84 111.84 35.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 109.001 -0.74 . . . . 1.07 109.001 174.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 67' ' ' ILE . . . . . . . . . . . . . 47.3 mm -69.06 128.18 32.12 Favored 'Isoleucine or valine' 0 C--O 1.238 0.499 0 CA-C-N 115.994 -0.548 . . . . 1.19 112.076 -168.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 68' ' ' THR . . . . . . . . . . . . . 15.3 p -99.63 160.98 13.89 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.589 -0.732 . . . . 1.27 109.803 174.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 69' ' ' ASP . . . . . 0.465 ' O ' ' HA ' ' S' ' 73' ' ' GLN . 23.9 t70 -84.88 150.24 25.12 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.962 -0.384 . . . . 1.75 109.962 178.454 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 70' ' ' ARG . . . . . . . . . . . . . 22.2 mtm180 -78.73 -32.58 46.86 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.933 -0.307 . . . . 4.77 111.604 -175.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 71' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -86.96 -34.27 19.36 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.669 0.271 . . . . 2.82 111.27 -174.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 72' ' ' THR . . . . . 0.429 ' OG1' ' HB3' ' S' ' 69' ' ' ASP . 60.1 p -99.25 -26.21 14.25 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.868 -0.333 . . . . 2.27 111.235 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 73' ' ' GLN . . . . . 0.465 ' HA ' ' O ' ' S' ' 69' ' ' ASP . 15.9 mm-40 61.02 23.35 13.52 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.731 -0.668 . . . . 2.59 111.633 -176.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 74' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -103.88 158.76 16.18 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.638 -0.71 . . . . 3.24 109.239 175.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 75' ' ' SER . . . . . . . . . . . . . 1.7 p -66.28 132.61 48.79 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.786 0.326 . . . . 1.54 110.825 179.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 76' ' ' ARG . . . . . 0.532 ' HD2' ' HE1' ' S' ' 78' ' ' TYR . 92.0 mtt180 -79.64 -17.38 53.9 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.284 -0.416 . . . . 2.96 110.583 -178.391 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 77' ' ' GLY . . . . . . . . . . . . . . . 97.53 30.7 7.13 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.91 -0.662 . . . . 0.63 112.696 178.124 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 78' ' ' TYR . . . . . 0.532 ' HE1' ' HD2' ' S' ' 76' ' ' ARG . 19.0 p90 -161.06 156.93 25.31 Favored 'General case' 0 C--N 1.329 -0.318 0 O-C-N 122.574 -0.368 . . . . 1.05 110.134 177.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 79' ' ' GLY . . . . . 0.521 ' HA3' HD23 ' S' ' 51' ' ' LEU . . . -142.29 171.08 24.78 Favored Glycine 0 N--CA 1.447 -0.577 0 CA-C-N 115.972 -0.558 . . . . 0.19 112.172 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 80' ' ' PHE . . . . . 0.47 ' CE2' ' HE2' ' S' ' 78' ' ' TYR . 91.0 m-85 -120.25 135.72 54.9 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 110.393 -0.225 . . . . 0.47 110.393 176.419 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 81' ' ' VAL . . . . . . . . . . . . . 58.8 t -120.65 107.91 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 109.924 -0.399 . . . . 1.11 109.924 177.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 82' ' ' THR . . . . . . . . . . . . . 10.6 m -97.1 107.99 20.63 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 109.179 -0.674 . . . . 1.09 109.179 177.054 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 83' ' ' MET . . . . . 0.69 ' SD ' ' HA ' ' S' ' 89' ' ' ALA . 52.6 mtp -91.41 162.1 14.72 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.956 -0.387 . . . . 1.13 109.956 -178.276 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 84' ' ' LYS . . . . . 0.905 ' HD2' ' HB3' ' S' ' 85' ' ' ASP . 0.0 OUTLIER -72.02 -16.22 62.05 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 113.186 0.81 . . . . 2.79 113.186 -170.343 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' S' S ' 85' ' ' ASP . . . . . 0.905 ' HB3' ' HD2' ' S' ' 84' ' ' LYS . 0.0 OUTLIER -157.2 160.65 38.92 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.629 0.252 . . . . 1.85 110.721 -177.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' S' S ' 86' ' ' ARG . . . . . 0.493 ' O ' ' HG3' ' S' ' 90' ' ' GLU . 17.9 ttp180 -65.67 -41.22 92.75 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.917 -0.583 . . . . 4.59 111.429 -175.49 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.18 -45.1 93.33 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 120.759 0.314 . . . . 1.26 111.076 -175.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 88' ' ' SER . . . . . . . . . . . . . 8.8 p -66.86 -38.74 86.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 1.26 110.651 176.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 89' ' ' ALA . . . . . 0.69 ' HA ' ' SD ' ' S' ' 83' ' ' MET . . . -60.07 -45.73 91.92 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 116.195 -0.457 . . . . 1.17 110.751 177.074 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 90' ' ' GLU . . . . . 0.57 ' O ' ' HG2' ' S' ' 94' ' ' LYS . 52.0 mt-10 -65.86 -31.89 73.09 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 116.334 -0.394 . . . . 1.85 110.31 178.474 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 91' ' ' ARG . . . . . . . . . . . . . 44.6 ttt180 -62.21 -32.42 73.08 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.709 -0.478 . . . . 3.45 109.709 177.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 92' ' ' ALA . . . . . . . . . . . . . . . -84.32 -33.98 23.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.823 -0.626 . . . . 1.15 110.425 177.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 93' ' ' CYS . . . . . . . . . . . . . 18.2 t -80.63 1.18 30.97 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.729 -0.668 . . . . 2.24 111.084 -178.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 94' ' ' LYS . . . . . 0.57 ' HG2' ' O ' ' S' ' 90' ' ' GLU . 37.4 mmtm -67.29 -16.05 64.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.318 -0.401 . . . . 3.42 111.457 175.538 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 95' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -122.03 96.38 46.73 Favored Pre-proline 0 C--N 1.324 -0.502 0 N-CA-C 109.363 -0.606 . . . . 2.13 109.363 177.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 96' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -74.52 -29.7 8.84 Favored 'Trans proline' 0 N--CA 1.463 -0.286 0 C-N-CA 122.531 2.154 . . . . 1.08 113.383 -174.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 97' ' ' ASN . . . . . 0.538 ' HA ' ' O ' ' S' ' 105' ' ' ALA . 14.3 m120 -126.43 70.7 70.92 Favored Pre-proline 0 C--O 1.235 0.312 0 CA-C-O 120.781 0.324 . . . . 1.08 111.344 -177.675 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 98' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_endo -85.4 165.23 10.9 Favored 'Trans proline' 0 N--CA 1.454 -0.822 0 C-N-CA 123.128 2.552 . . . . 0.76 112.327 -178.438 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 99' ' ' ILE . . . . . . . . . . . . . 45.1 mm -96.91 102.89 14.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 N-CA-C 109.26 -0.645 . . . . 1.19 109.26 175.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 100' ' ' ILE . . . . . . . . . . . . . 56.8 mt -118.54 115.61 48.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.366 -0.379 . . . . 1.18 110.568 -175.206 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 101' ' ' ASP . . . . . 0.456 ' HB3' ' HG2' ' S' ' 43' ' ' PRO . 24.1 t0 63.78 20.52 12.26 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 115.46 -0.791 . . . . 1.4 110.63 173.474 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 102' ' ' GLY . . . . . . . . . . . . . . . 107.76 -17.46 35.83 Favored Glycine 0 C--N 1.332 0.308 0 CA-C-N 115.688 -0.687 . . . . 0.93 113.33 176.116 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 103' ' ' ARG . . . . . 0.684 ' HG2' ' HG3' ' S' ' 43' ' ' PRO . 27.0 mmm180 -108.47 148.24 30.5 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 117.12 0.46 . . . . 3.59 111.211 -179.566 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 104' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm -80.58 113.64 18.91 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.029 -0.73 . . . . 2.58 109.029 171.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 105' ' ' ALA . . . . . 0.538 ' O ' ' HA ' ' S' ' 97' ' ' ASN . . . -93.61 165.41 12.74 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.587 -0.733 . . . . 1.06 111.031 -174.533 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 106' ' ' ASN . . . . . . . . . . . . . 40.2 t-20 -117.85 108.75 15.71 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.524 -0.917 . . . . 2.54 108.524 174.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 107' ' ' VAL . . . . . 0.573 HG23 HG11 ' S' ' 39' ' ' VAL . 48.5 t -106.41 126.51 62.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.914 -0.584 . . . . 1.22 110.088 -177.463 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 108' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -160.3 147.6 16.13 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.018 -0.537 . . . . 1.76 109.669 -177.086 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 109' ' ' LEU . . . . . 0.434 HD21 HG12 ' S' ' 37' ' ' ILE . 93.2 mt -57.38 135.15 56.52 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.843 0.354 . . . . 1.22 110.633 -179.572 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 110' ' ' ALA . . . . . . . . . . . . . . . -68.13 -11.32 58.94 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 113.716 1.006 . . . . 1.25 113.716 -167.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 111' ' ' TYR . . . . . . . . . . . . . 21.7 p90 . . . . . 0 C--N 1.327 -0.383 0 C-N-CA 120.028 -0.669 . . . . 1.7 110.07 177.052 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 60.6 mtm . . . . . 0 CA--C 1.526 0.051 0 CA-C-O 120.681 0.277 . . . . 2.01 111.168 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' S' S ' 34' ' ' PHE . . . . . 0.448 ' HB2' ' HG2' ' S' ' 86' ' ' ARG . 29.9 m-85 -109.27 19.18 19.7 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.312 -0.404 . . . . 1.16 111.39 -176.627 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 35' ' ' THR . . . . . 0.462 ' O ' ' HA ' ' S' ' 82' ' ' THR . 7.2 p -132.31 -36.66 1.12 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.68 0.276 . . . . 1.22 111.086 178.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 36' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -83.97 103.48 13.26 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.398 0.618 . . . . 2.47 110.562 178.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 37' ' ' ILE . . . . . . . . . . . . . 55.3 mt -96.69 145.53 8.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.58 -0.736 . . . . 1.18 110.84 -177.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 38' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -99.26 123.35 43.47 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.927 -0.579 . . . . 0.57 109.789 176.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 39' ' ' VAL . . . . . . . . . . . . . 26.1 t -119.28 108.91 24.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 120.699 0.285 . . . . 1.01 110.58 -179.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 40' ' ' GLY . . . . . . . . . . . . . . . -106.39 161.39 14.15 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 121.0 -0.619 . . . . 0.27 111.693 179.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 41' ' ' GLY . . . . . . . . . . . . . . . 96.5 24.9 12.89 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.445 -0.884 . . . . 0.49 112.227 177.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 42' ' ' LEU . . . . . 0.42 ' O ' ' HA2' ' S' ' 77' ' ' GLY . 90.4 mt -91.66 136.57 26.39 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-O 120.807 0.337 . . . . 1.11 110.241 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 43' ' ' PRO . . . . . 0.452 ' HD2' ' OG1' ' S' ' 46' ' ' THR . 34.1 Cg_exo -60.42 163.09 15.8 Favored 'Trans proline' 0 CA--C 1.534 0.497 0 C-N-CA 122.77 2.313 . . . . 0.62 112.215 173.396 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 44' ' ' TYR . . . . . 0.547 ' HA ' ' HB2' ' S' ' 75' ' ' SER . 23.8 m-85 -76.4 -13.85 60.1 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.898 -0.592 . . . . 2.81 111.925 -172.074 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 45' ' ' HIS . . . . . . . . . . . . . 2.4 p80 -104.45 10.08 35.37 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.16 0.505 . . . . 3.13 110.226 -179.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 46' ' ' THR . . . . . 0.533 HG21 ' HB ' ' S' ' 50' ' ' THR . 96.8 m -85.18 122.01 28.76 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.654 -0.703 . . . . 1.14 110.045 178.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 47' ' ' SER . . . . . . . . . . . . . 6.3 m -103.75 175.53 5.45 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.172 -0.467 . . . . 0.68 111.108 -176.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 48' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -50.93 -44.41 60.26 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.558 -0.747 . . . . 1.29 110.83 177.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 49' ' ' LYS . . . . . . . . . . . . . 7.2 ptpp? -60.91 -34.18 74.28 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.228 -0.896 . . . . 3.0 111.964 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 50' ' ' THR . . . . . 0.533 ' HB ' HG21 ' S' ' 46' ' ' THR . 3.8 m -71.51 -45.88 61.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.06 0.457 . . . . 1.15 110.3 -178.355 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 51' ' ' LEU . . . . . . . . . . . . . 32.6 tp -62.3 -43.72 98.17 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.832 -0.622 . . . . 1.23 110.551 176.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 52' ' ' HIS . . . . . . . . . . . . . 51.5 t-80 -61.46 -44.71 96.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.676 -0.693 . . . . 0.73 110.402 178.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 53' ' ' GLU . . . . . . . . . . . . . 18.4 tp10 -49.04 -49.84 39.24 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.558 -0.747 . . . . 2.24 111.446 178.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 54' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -69.16 -42.71 75.56 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.885 -0.598 . . . . 1.2 111.753 -173.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 55' ' ' PHE . . . . . 0.578 ' HA ' ' HD2' ' S' ' 58' ' ' PHE . 47.6 m-85 -83.47 -20.64 33.64 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.639 0.607 . . . . 0.68 112.639 -173.7 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 56' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -65.88 -18.7 65.51 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 121.371 0.605 . . . . 1.47 109.745 176.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 57' ' ' GLN . . . . . . . . . . . . . 14.2 tp60 -66.71 -32.75 74.26 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.509 -0.769 . . . . 3.67 110.729 172.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 58' ' ' PHE . . . . . 0.578 ' HD2' ' HA ' ' S' ' 55' ' ' PHE . 98.1 m-85 -82.17 -36.66 27.14 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.604 -0.271 . . . . 0.71 110.993 -178.021 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 59' ' ' GLY . . . . . . . . . . . . . . . 167.39 -168.2 40.37 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.584 -0.817 . . . . 0.51 112.794 178.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 60' ' ' ASP . . . . . 0.858 ' HB2' ' HB2' ' S' ' 84' ' ' LYS . 0.8 OUTLIER -61.18 143.87 54.74 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 123.009 0.524 . . . . 1.99 111.421 -179.022 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' S' S ' 61' ' ' ILE . . . . . 0.566 HG22 ' HB3' ' S' ' 64' ' ' ALA . 71.8 mt -124.36 138.96 52.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.301 -0.409 . . . . 1.13 110.179 179.527 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 62' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -91.8 -41.67 10.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.889 0.376 . . . . 1.91 111.384 177.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 63' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -156.44 115.74 3.48 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.237 -0.438 . . . . 1.81 109.84 -174.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 64' ' ' ALA . . . . . 0.566 ' HB3' HG22 ' S' ' 61' ' ' ILE . . . -139.21 105.03 5.15 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.667 0.27 . . . . 1.14 111.248 -176.495 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 65' ' ' VAL . . . . . . . . . . . . . 33.5 m -137.1 144.81 31.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.393 -0.367 . . . . 1.07 110.808 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 66' ' ' VAL . . . . . . . . . . . . . 86.4 t -89.19 125.55 42.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 108.829 -0.804 . . . . 1.07 108.829 173.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 67' ' ' ILE . . . . . . . . . . . . . 46.0 mm -78.33 112.12 15.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.257 0.551 . . . . 1.19 111.092 -172.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 68' ' ' THR . . . . . . . . . . . . . 32.3 p -92.38 156.83 16.96 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.56 -0.746 . . . . 1.27 109.897 175.383 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 69' ' ' ASP . . . . . 0.456 ' HA ' ' HE ' ' S' ' 76' ' ' ARG . 14.6 t70 -79.12 145.84 33.52 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.121 -0.696 . . . . 1.75 109.121 175.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 70' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -77.96 -10.27 59.51 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.059 0.392 . . . . 4.77 112.059 -172.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 71' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -88.73 -52.77 4.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.658 0.266 . . . . 2.82 111.463 179.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 72' ' ' THR . . . . . . . . . . . . . 22.6 p -97.32 -19.28 18.63 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.193 0.442 . . . . 2.27 112.193 -176.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 73' ' ' GLN . . . . . 0.407 ' NE2' ' HA ' ' S' ' 73' ' ' GLN . 14.9 mm-40 66.36 18.31 10.85 Favored 'General case' 0 N--CA 1.466 0.35 0 O-C-N 123.447 0.467 . . . . 2.59 111.861 -177.782 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 74' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt -97.86 151.31 20.36 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.038 -0.528 . . . . 3.24 109.952 172.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 75' ' ' SER . . . . . 0.547 ' HB2' ' HA ' ' S' ' 44' ' ' TYR . 40.6 m -60.36 136.08 57.93 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.245 -0.434 . . . . 1.54 111.909 -175.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 76' ' ' ARG . . . . . 0.456 ' HE ' ' HA ' ' S' ' 69' ' ' ASP . 95.5 mtt180 -77.49 -11.79 59.89 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.01 0.433 . . . . 2.96 110.612 179.759 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 77' ' ' GLY . . . . . 0.42 ' HA2' ' O ' ' S' ' 42' ' ' LEU . . . 107.41 13.03 21.93 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.521 -0.847 . . . . 0.63 112.958 178.691 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 78' ' ' TYR . . . . . 0.425 ' HH ' ' HD2' ' S' ' 76' ' ' ARG . 43.1 p90 -152.91 161.77 42.14 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.721 0.296 . . . . 1.05 110.589 178.792 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 79' ' ' GLY . . . . . . . . . . . . . . . -146.17 165.91 28.11 Favored Glycine 0 N--CA 1.445 -0.757 0 N-CA-C 110.9 -0.88 . . . . 0.19 110.9 177.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 80' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -114.64 136.17 53.34 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 117.0 0.4 . . . . 0.47 110.656 178.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 81' ' ' VAL . . . . . . . . . . . . . 39.6 t -126.09 106.05 15.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.09 -0.505 . . . . 1.11 110.865 178.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 82' ' ' THR . . . . . 0.462 ' HA ' ' O ' ' S' ' 35' ' ' THR . 35.3 m -89.57 106.13 18.25 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 108.734 -0.839 . . . . 1.09 108.734 173.515 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 83' ' ' MET . . . . . 0.689 ' HG3' ' HA ' ' S' ' 89' ' ' ALA . 94.9 mmm -75.17 168.88 19.13 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.173 -0.467 . . . . 1.13 110.466 -177.348 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 84' ' ' LYS . . . . . 0.858 ' HB2' ' HB2' ' S' ' 60' ' ' ASP . 13.4 tttp -53.35 -53.5 50.12 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 123.706 0.629 . . . . 2.79 111.881 -179.236 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 85' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -147.47 -178.51 6.28 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.522 -0.763 . . . . 1.85 109.776 -177.371 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 86' ' ' ARG . . . . . 0.448 ' HG2' ' HB2' ' S' ' 34' ' ' PHE . 19.9 mtp180 -64.99 -34.75 79.17 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.011 -0.541 . . . . 4.59 111.723 -176.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 87' ' ' ALA . . . . . . . . . . . . . . . -71.46 -43.99 65.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.786 0.326 . . . . 1.26 110.368 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 88' ' ' SER . . . . . . . . . . . . . 29.4 m -60.54 -44.92 95.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.029 0.442 . . . . 1.26 110.075 175.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 89' ' ' ALA . . . . . 0.689 ' HA ' ' HG3' ' S' ' 83' ' ' MET . . . -56.63 -51.07 70.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.52 -0.764 . . . . 1.17 111.486 176.644 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 90' ' ' GLU . . . . . 0.494 ' O ' ' HG2' ' S' ' 94' ' ' LYS . 8.0 mm-40 -54.88 -44.38 74.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.54 -0.3 . . . . 1.85 111.579 178.744 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 91' ' ' ARG . . . . . . . . . . . . . 54.1 ttt180 -59.93 -33.57 72.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.676 0.274 . . . . 3.45 110.809 -178.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 92' ' ' ALA . . . . . . . . . . . . . . . -79.64 -22.74 43.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.346 -0.388 . . . . 1.15 111.105 178.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 93' ' ' CYS . . . . . . . . . . . . . 49.6 t -94.93 -2.26 50.89 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.261 -0.427 . . . . 2.24 111.141 -176.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 94' ' ' LYS . . . . . 0.494 ' HG2' ' O ' ' S' ' 90' ' ' GLU . 31.7 mmmt -67.24 -18.4 65.21 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 111.616 0.228 . . . . 3.42 111.616 179.473 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 95' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -118.65 118.63 33.34 Favored Pre-proline 0 C--N 1.326 -0.414 0 N-CA-C 109.756 -0.461 . . . . 2.13 109.756 176.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 96' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -80.41 -29.96 2.2 Favored 'Trans proline' 0 C--O 1.237 0.436 0 C-N-CA 122.613 2.209 . . . . 1.08 113.975 -173.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 97' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -129.27 80.88 71.54 Favored Pre-proline 0 N--CA 1.464 0.254 0 CA-C-O 120.759 0.314 . . . . 1.08 111.477 -174.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 98' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_endo -89.22 158.83 5.66 Favored 'Trans proline' 0 N--CA 1.451 -0.979 0 C-N-CA 123.127 2.552 . . . . 0.76 112.256 178.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 99' ' ' ILE . . . . . . . . . . . . . 46.4 mm -97.52 115.84 38.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 109.921 -0.4 . . . . 1.19 109.921 175.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 100' ' ' ILE . . . . . . . . . . . . . 59.8 mt -121.59 119.02 57.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.576 -0.284 . . . . 1.18 110.29 -179.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 101' ' ' ASP . . . . . . . . . . . . . 28.6 t70 64.49 15.55 9.66 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-O 121.782 0.801 . . . . 1.4 110.971 175.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 102' ' ' GLY . . . . . . . . . . . . . . . 100.17 -2.92 56.67 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.845 -0.693 . . . . 0.93 112.708 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 103' ' ' ARG . . . . . . . . . . . . . 46.0 ttt180 -111.19 145.15 39.19 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.875 -0.417 . . . . 3.59 109.875 -179.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 104' ' ' LYS . . . . . . . . . . . . . 26.7 tttp -79.53 117.97 20.95 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.439 -0.578 . . . . 2.58 109.439 179.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 105' ' ' ALA . . . . . . . . . . . . . . . -101.33 165.5 11.24 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.608 0.718 . . . . 1.06 112.665 -170.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 106' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -121.08 108.7 14.14 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.79 -1.095 . . . . 2.54 109.769 177.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 107' ' ' VAL . . . . . . . . . . . . . 61.2 t -101.54 127.94 54.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 109.527 -0.546 . . . . 1.22 109.527 177.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 108' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -156.53 152.23 27.07 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 110.411 -0.218 . . . . 1.76 110.411 -176.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 109' ' ' LEU . . . . . 0.424 HD11 ' HE2' ' S' ' 111' ' ' TYR . 98.1 mt -74.87 132.24 41.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.916 0.388 . . . . 1.22 110.273 178.801 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.29 -40.03 96.22 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 113.157 0.799 . . . . 1.25 113.157 -170.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 111' ' ' TYR . . . . . 0.424 ' HE2' HD11 ' S' ' 109' ' ' LEU . 28.0 p90 . . . . . 0 CA--C 1.533 0.316 0 N-CA-C 111.735 0.272 . . . . 1.7 111.735 -172.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 27.1 ttt . . . . . 0 N--CA 1.456 -0.158 0 CA-C-O 121.069 0.462 . . . . 2.01 110.484 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' S' S ' 34' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -103.43 11.42 36.52 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.06 -0.518 . . . . 1.16 111.528 -176.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 35' ' ' THR . . . . . 0.442 ' O ' ' HA ' ' S' ' 82' ' ' THR . 8.2 p -122.23 -10.33 8.53 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.908 0.385 . . . . 1.22 110.999 -177.093 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 36' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -100.05 117.65 34.77 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.015 -0.538 . . . . 2.47 110.818 -176.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 37' ' ' ILE . . . . . . . . . . . . . 65.8 mt -101.16 138.57 24.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.501 -0.772 . . . . 1.18 110.768 -179.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 38' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -99.05 120.21 39.09 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.144 -0.687 . . . . 0.57 109.144 175.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 39' ' ' VAL . . . . . 0.408 HG12 HD12 ' S' ' 51' ' ' LEU . 38.4 t -118.42 103.54 14.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.409 -0.36 . . . . 1.01 110.472 -179.471 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 40' ' ' GLY . . . . . . . . . . . . . . . -108.89 152.3 17.02 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.442 -0.885 . . . . 0.27 112.286 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 41' ' ' GLY . . . . . . . . . . . . . . . 104.18 33.39 4.0 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.785 -0.721 . . . . 0.49 111.668 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 42' ' ' LEU . . . . . 0.559 ' O ' ' HA2' ' S' ' 77' ' ' GLY . 86.4 mt -106.32 131.94 21.31 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-O 120.687 0.279 . . . . 1.11 111.001 -177.567 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 43' ' ' PRO . . . . . 0.466 ' HB2' ' CD2' ' S' ' 45' ' ' HIS . 19.5 Cg_exo -67.51 173.63 8.55 Favored 'Trans proline' 0 CA--C 1.532 0.405 0 C-N-CA 122.681 2.254 . . . . 0.62 112.209 175.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 44' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -72.09 -23.77 61.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.173 -0.467 . . . . 2.81 111.26 -173.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 45' ' ' HIS . . . . . 0.466 ' CD2' ' HB2' ' S' ' 43' ' ' PRO . 22.5 p80 -84.15 -3.24 58.0 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.16 -0.473 . . . . 3.13 111.136 -177.655 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 46' ' ' THR . . . . . 0.45 ' OG1' ' HD2' ' S' ' 43' ' ' PRO . 65.1 m -89.47 109.8 20.69 Favored 'General case' 0 N--CA 1.443 -0.777 0 N-CA-C 109.442 -0.577 . . . . 1.14 109.442 -178.798 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 47' ' ' SER . . . . . 0.515 ' HB2' ' HG2' ' S' ' 49' ' ' LYS . 8.8 m -99.33 175.53 5.84 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 115.883 -0.599 . . . . 0.68 110.258 -175.805 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 48' ' ' ASP . . . . . 0.676 ' HB3' ' HA ' ' S' ' 65' ' ' VAL . 0.7 OUTLIER -53.13 -46.2 68.69 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.71 -0.677 . . . . 1.29 111.012 176.281 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' S' S ' 49' ' ' LYS . . . . . 0.515 ' HG2' ' HB2' ' S' ' 47' ' ' SER . 53.0 pttt -56.77 -35.25 68.46 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.165 -0.47 . . . . 3.0 111.847 176.575 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 50' ' ' THR . . . . . . . . . . . . . 14.6 m -71.69 -47.99 50.41 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.053 0.454 . . . . 1.15 110.1 -178.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 51' ' ' LEU . . . . . 0.408 HD12 HG12 ' S' ' 39' ' ' VAL . 20.1 tp -64.53 -36.7 85.07 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.065 -0.516 . . . . 1.23 109.908 177.533 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 52' ' ' HIS . . . . . . . . . . . . . 36.4 t-80 -61.98 -50.24 72.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.389 -0.823 . . . . 0.73 110.9 178.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 53' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -54.74 -47.81 73.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.83 0.348 . . . . 2.24 111.467 -179.183 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 54' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -63.57 -43.48 96.87 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.339 -0.391 . . . . 1.2 111.644 -176.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 55' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -84.96 -21.34 29.6 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.29 0.478 . . . . 0.68 112.29 -175.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 56' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -65.12 -15.32 62.27 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.419 0.628 . . . . 1.47 110.427 179.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 57' ' ' GLN . . . . . . . . . . . . . 42.0 tp60 -61.56 -36.5 80.8 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.742 -0.663 . . . . 3.67 110.667 172.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 58' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -91.26 -4.39 56.0 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.045 0.387 . . . . 0.71 112.045 -171.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 59' ' ' GLY . . . . . . . . . . . . . . . 150.15 -175.67 29.13 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.407 -0.901 . . . . 0.51 112.759 177.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 60' ' ' ASP . . . . . 0.641 ' HB2' ' HG2' ' S' ' 84' ' ' LYS . 9.4 m-20 -69.36 140.28 54.25 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 110.082 -0.34 . . . . 1.99 110.082 179.593 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 61' ' ' ILE . . . . . 0.602 HG22 ' HB3' ' S' ' 64' ' ' ALA . 65.8 mt -115.06 132.52 64.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 116.2 -0.455 . . . . 1.13 110.29 178.647 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 62' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -87.78 -48.23 8.0 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.105 -0.498 . . . . 1.91 110.639 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 63' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -142.11 116.41 9.53 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.268 -0.424 . . . . 1.81 110.207 -176.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 64' ' ' ALA . . . . . 0.602 ' HB3' HG22 ' S' ' 61' ' ' ILE . . . -135.08 110.63 9.16 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 110.212 -0.292 . . . . 1.14 110.212 -179.633 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 65' ' ' VAL . . . . . 0.676 ' HA ' ' HB3' ' S' ' 48' ' ' ASP . 21.0 m -142.51 138.03 28.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.338 -0.392 . . . . 1.07 111.076 -178.609 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 66' ' ' VAL . . . . . . . . . . . . . 96.4 t -90.31 119.47 37.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 108.088 -1.078 . . . . 1.07 108.088 169.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 67' ' ' ILE . . . . . . . . . . . . . 48.8 mm -68.56 125.5 26.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.097 0.475 . . . . 1.19 111.949 -168.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 68' ' ' THR . . . . . . . . . . . . . 1.9 p -99.95 146.77 26.31 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 115.734 -0.667 . . . . 1.27 109.769 174.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 69' ' ' ASP . . . . . 0.458 ' O ' ' HA ' ' S' ' 73' ' ' GLN . 24.1 t70 -66.03 142.13 57.92 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.377 -0.374 . . . . 1.75 110.815 -179.605 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 70' ' ' ARG . . . . . . . . . . . . . 83.5 mtt180 -70.19 -25.4 63.41 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.545 -0.298 . . . . 4.77 111.399 -176.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 71' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -93.62 -56.46 2.9 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.029 0.442 . . . . 2.82 111.135 -174.103 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 72' ' ' THR . . . . . 0.419 ' HB ' ' HG2' ' S' ' 74' ' ' LYS . 42.7 p -91.83 -18.79 23.31 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.98 -0.554 . . . . 2.27 111.658 -175.573 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 73' ' ' GLN . . . . . 0.458 ' HA ' ' O ' ' S' ' 69' ' ' ASP . 10.6 mm100 63.64 23.58 13.6 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 115.968 -0.56 . . . . 2.59 111.805 -177.77 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 74' ' ' LYS . . . . . 0.419 ' HG2' ' HB ' ' S' ' 72' ' ' THR . 29.4 mmtp -92.21 160.55 15.11 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.806 -0.813 . . . . 3.24 108.806 175.056 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 75' ' ' SER . . . . . . . . . . . . . 35.9 t -67.33 144.05 56.06 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.847 0.356 . . . . 1.54 110.426 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 76' ' ' ARG . . . . . . . . . . . . . 88.8 mtt180 -96.7 5.78 49.99 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.954 0.406 . . . . 2.96 111.385 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 77' ' ' GLY . . . . . 0.559 ' HA2' ' O ' ' S' ' 42' ' ' LEU . . . 84.21 18.75 62.07 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.733 -0.746 . . . . 0.63 113.985 173.196 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 78' ' ' TYR . . . . . . . . . . . . . 43.1 p90 -159.29 161.25 35.86 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.937 0.399 . . . . 1.05 110.524 178.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 79' ' ' GLY . . . . . . . . . . . . . . . -142.72 165.07 26.94 Favored Glycine 0 N--CA 1.444 -0.795 0 CA-C-N 115.957 -0.565 . . . . 0.19 111.741 178.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 80' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -116.28 136.72 52.75 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 110.246 -0.279 . . . . 0.47 110.246 179.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 81' ' ' VAL . . . . . . . . . . . . . 41.6 t -125.63 112.22 30.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.048 -0.524 . . . . 1.11 110.475 179.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 82' ' ' THR . . . . . 0.442 ' HA ' ' O ' ' S' ' 35' ' ' THR . 11.9 m -99.66 113.36 25.76 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.142 -0.688 . . . . 1.09 109.142 176.413 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 83' ' ' MET . . . . . 0.594 ' HG3' ' HA ' ' S' ' 89' ' ' ALA . 94.2 mmm -85.09 165.28 17.61 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.503 -0.317 . . . . 1.13 110.949 -175.553 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 84' ' ' LYS . . . . . 0.641 ' HG2' ' HB2' ' S' ' 60' ' ' ASP . 0.0 OUTLIER -65.9 -22.43 66.51 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.931 -0.577 . . . . 2.79 111.653 -177.922 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' S' S ' 85' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -164.06 -178.44 5.6 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 110.241 -0.281 . . . . 1.85 110.241 178.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 86' ' ' ARG . . . . . . . . . . . . . 51.8 mtp180 -67.31 -41.66 84.99 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.142 -0.481 . . . . 4.59 112.138 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.2 -41.82 98.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.868 0.366 . . . . 1.26 110.645 -175.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 88' ' ' SER . . . . . . . . . . . . . 18.3 m -63.96 -39.89 95.16 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.952 -0.567 . . . . 1.26 110.589 176.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 89' ' ' ALA . . . . . 0.594 ' HA ' ' HG3' ' S' ' 83' ' ' MET . . . -67.6 -47.79 68.67 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.277 -0.419 . . . . 1.17 111.311 -179.699 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 90' ' ' GLU . . . . . 0.6 ' HA ' ' SG ' ' S' ' 93' ' ' CYS . 62.9 mt-10 -63.15 -39.79 95.7 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.225 -0.443 . . . . 1.85 110.529 179.313 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 91' ' ' ARG . . . . . . . . . . . . . 34.1 ttm180 -58.11 -38.36 76.31 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.151 -0.477 . . . . 3.45 110.717 178.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 92' ' ' ALA . . . . . . . . . . . . . . . -72.54 -40.53 66.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.965 -0.561 . . . . 1.15 111.536 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 93' ' ' CYS . . . . . 0.6 ' SG ' ' HA ' ' S' ' 90' ' ' GLU . 18.4 p -91.1 14.2 14.76 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.958 0.355 . . . . 2.24 111.958 -176.532 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 94' ' ' LYS . . . . . . . . . . . . . 76.1 mttt -61.25 -15.49 35.35 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.724 0.297 . . . . 3.42 111.593 170.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 95' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -124.7 115.94 26.57 Favored Pre-proline 0 C--N 1.327 -0.388 0 N-CA-C 109.353 -0.61 . . . . 2.13 109.353 176.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 96' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -69.95 -24.89 28.29 Favored 'Trans proline' 0 CA--C 1.531 0.347 0 C-N-CA 122.579 2.186 . . . . 1.08 113.392 -174.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 97' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -129.21 83.19 66.42 Favored Pre-proline 0 C--O 1.234 0.253 0 N-CA-C 111.435 0.161 . . . . 1.08 111.435 -176.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 98' ' ' PRO . . . . . 0.489 ' HG2' ' HB1' ' S' ' 105' ' ' ALA . 74.2 Cg_endo -77.61 139.56 18.14 Favored 'Trans proline' 0 N--CA 1.457 -0.662 0 C-N-CA 122.256 1.971 . . . . 0.76 111.653 174.791 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 99' ' ' ILE . . . . . . . . . . . . . 50.9 mm -92.52 97.63 7.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 120.888 0.375 . . . . 1.19 110.405 -179.259 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 100' ' ' ILE . . . . . . . . . . . . . 58.4 mt -111.5 122.95 66.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 109.256 -0.646 . . . . 1.18 109.256 -179.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 101' ' ' ASP . . . . . . . . . . . . . 32.8 t70 64.41 14.58 8.93 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-O 121.937 0.875 . . . . 1.4 110.43 -175.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 102' ' ' GLY . . . . . . . . . . . . . . . 85.25 1.62 88.2 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.404 -0.903 . . . . 0.93 111.873 -176.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 103' ' ' ARG . . . . . . . . . . . . . 29.4 mmt180 -88.92 151.7 22.16 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-O 120.879 0.371 . . . . 3.59 110.026 178.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 104' ' ' LYS . . . . . 0.45 ' HE3' ' HB2' ' S' ' 104' ' ' LYS . 30.4 ttmt -92.98 94.55 8.96 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.178 -0.675 . . . . 2.58 109.178 178.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 105' ' ' ALA . . . . . 0.489 ' HB1' ' HG2' ' S' ' 98' ' ' PRO . . . -85.78 161.73 19.02 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.74 -0.663 . . . . 1.06 111.467 -173.578 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 106' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -119.26 114.17 21.99 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.598 -0.728 . . . . 2.54 109.359 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 107' ' ' VAL . . . . . . . . . . . . . 54.4 t -116.13 127.66 73.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.842 -0.617 . . . . 1.22 111.019 -177.125 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 108' ' ' ASN . . . . . . . . . . . . . 30.1 p-10 -156.32 165.51 36.15 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.756 -0.656 . . . . 1.76 109.804 177.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 109' ' ' LEU . . . . . . . . . . . . . 95.3 mt -71.7 131.22 42.84 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.56 -0.533 . . . . 1.22 109.56 175.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.95 -15.67 63.19 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 113.555 0.946 . . . . 1.25 113.555 -167.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 111' ' ' TYR . . . . . . . . . . . . . 29.4 p90 . . . . . 0 C--N 1.329 -0.319 0 C-N-CA 120.636 -0.426 . . . . 1.7 110.503 -179.323 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 23.5 ttt . . . . . 0 CA--C 1.529 0.157 0 CA-C-O 120.825 0.345 . . . . 2.01 111.34 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' S' S ' 34' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -105.54 7.59 32.98 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.982 0.364 . . . . 1.16 111.982 -174.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 35' ' ' THR . . . . . 0.567 ' O ' ' HA ' ' S' ' 82' ' ' THR . 7.7 p -125.22 -4.98 7.31 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.951 0.405 . . . . 1.22 110.911 178.101 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' S' S ' 36' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -87.0 99.36 11.84 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.819 -0.628 . . . . 2.47 110.149 -179.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 37' ' ' ILE . . . . . . . . . . . . . 62.7 mt -89.98 135.01 27.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.623 -0.717 . . . . 1.18 110.595 -179.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 38' ' ' PHE . . . . . 0.443 ' HD1' ' CE1' ' S' ' 80' ' ' PHE . 72.8 t80 -102.73 106.32 16.92 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.593 -0.73 . . . . 0.57 109.202 176.323 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' S' S ' 39' ' ' VAL . . . . . . . . . . . . . 21.5 t -101.48 102.49 13.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 110.036 -0.357 . . . . 1.01 110.036 -179.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 40' ' ' GLY . . . . . 0.404 ' HA2' ' CB ' ' S' ' 78' ' ' TYR . . . -102.2 155.8 18.57 Favored Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.579 -0.82 . . . . 0.27 112.461 -176.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' S' S ' 41' ' ' GLY . . . . . . . . . . . . . . . 99.43 21.22 15.34 Favored Glycine 0 N--CA 1.453 -0.193 0 C-N-CA 120.763 -0.732 . . . . 0.49 112.154 178.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 42' ' ' LEU . . . . . . . . . . . . . 90.1 mt -91.82 134.72 28.5 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-O 120.866 0.365 . . . . 1.11 111.144 -176.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 43' ' ' PRO . . . . . 0.542 ' HG3' ' HG3' ' S' ' 103' ' ' ARG . 35.5 Cg_exo -62.04 163.29 19.97 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.873 2.382 . . . . 0.62 112.246 175.166 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' S' S ' 44' ' ' TYR . . . . . 0.4 ' HA ' ' HB3' ' S' ' 75' ' ' SER . 16.2 m-85 -69.95 -26.25 64.03 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.634 -0.712 . . . . 2.81 111.556 -172.628 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' S' S ' 45' ' ' HIS . . . . . . . . . . . . . 4.5 p80 -89.56 0.0 57.21 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.052 0.454 . . . . 3.13 110.667 -178.332 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 46' ' ' THR . . . . . 0.445 ' OG1' ' HD2' ' S' ' 43' ' ' PRO . 97.1 m -79.51 116.79 19.93 Favored 'General case' 0 N--CA 1.446 -0.633 0 N-CA-C 109.197 -0.668 . . . . 1.14 109.197 176.37 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' S' S ' 47' ' ' SER . . . . . . . . . . . . . 43.5 m -108.76 -177.48 3.32 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 116.167 -0.47 . . . . 0.68 111.168 -174.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 48' ' ' ASP . . . . . . . . . . . . . 21.3 p-10 -53.8 -52.12 61.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.744 -0.662 . . . . 1.29 110.401 177.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 49' ' ' LYS . . . . . . . . . . . . . 6.1 ptpp? -53.42 -41.09 65.69 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.17 -0.923 . . . . 3.0 111.737 178.009 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 50' ' ' THR . . . . . . . . . . . . . 2.9 m -63.47 -47.68 80.8 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-O 120.92 0.39 . . . . 1.15 110.495 -177.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 51' ' ' LEU . . . . . . . . . . . . . 15.8 tp -74.73 -35.87 62.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.018 -0.537 . . . . 1.23 110.923 -178.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 52' ' ' HIS . . . . . . . . . . . . . 52.8 t-80 -61.45 -49.73 75.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.398 -0.365 . . . . 0.73 110.298 177.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 53' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -57.95 -40.74 81.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.962 -0.563 . . . . 2.24 110.07 179.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 54' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -66.45 -42.49 87.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.82 -0.627 . . . . 1.2 111.096 -178.281 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 55' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -85.05 -20.31 30.61 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 112.655 0.613 . . . . 0.68 112.655 -174.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 56' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -61.87 -18.71 61.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.118 0.485 . . . . 1.47 110.283 176.072 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 57' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -71.18 -12.94 61.75 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.004 -0.544 . . . . 3.67 110.101 178.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 58' ' ' PHE . . . . . 0.447 ' O ' ' HD3' ' S' ' 91' ' ' ARG . 66.5 m-85 -106.68 1.95 25.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.956 -0.566 . . . . 0.71 111.003 -179.191 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' S' S ' 59' ' ' GLY . . . . . . . . . . . . . . . 134.38 -159.33 23.79 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.32 -0.943 . . . . 0.51 113.03 177.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 60' ' ' ASP . . . . . 0.675 ' HB3' ' HD2' ' S' ' 84' ' ' LYS . 24.4 t70 -92.98 141.16 28.7 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.925 0.393 . . . . 1.99 110.733 -175.635 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' S' S ' 61' ' ' ILE . . . . . 0.411 HG12 ' SD ' ' S' ' 83' ' ' MET . 22.2 mt -121.54 148.89 24.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.938 -0.573 . . . . 1.13 110.788 -169.813 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' S' S ' 62' ' ' GLU . . . . . 0.504 ' HG3' ' HA ' ' S' ' 84' ' ' LYS . 31.8 mt-10 -81.28 -47.13 13.75 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 109.964 -0.384 . . . . 1.91 109.964 174.134 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' S' S ' 63' ' ' GLU . . . . . . . . . . . . . 77.1 tt0 -169.07 138.85 2.19 Favored 'General case' 0 C--N 1.334 -0.088 0 CA-C-N 116.419 -0.355 . . . . 1.81 110.449 175.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 64' ' ' ALA . . . . . 0.467 ' HB3' HG23 ' S' ' 81' ' ' VAL . . . -137.14 115.11 11.48 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 110.016 -0.364 . . . . 1.14 110.016 178.671 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' S' S ' 65' ' ' VAL . . . . . . . . . . . . . 27.8 m -138.9 138.71 41.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.084 0.469 . . . . 1.07 111.986 -176.173 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 66' ' ' VAL . . . . . . . . . . . . . 91.0 t -88.47 120.99 38.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 108.639 -0.874 . . . . 1.07 108.639 169.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 67' ' ' ILE . . . . . 0.439 ' HB ' ' HG3' ' S' ' 76' ' ' ARG . 50.6 mm -69.59 122.25 20.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.251 -0.431 . . . . 1.19 111.565 -172.019 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' S' S ' 68' ' ' THR . . . . . . . . . . . . . 20.0 p -111.13 145.73 38.08 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.602 -0.727 . . . . 1.27 110.325 176.147 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 69' ' ' ASP . . . . . 0.623 ' O ' ' HA ' ' S' ' 73' ' ' GLN . 56.8 m-20 -76.01 149.26 37.6 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.26 -0.427 . . . . 1.75 111.08 179.427 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' S' S ' 70' ' ' ARG . . . . . . . . . . . . . 91.2 mtt180 -80.51 -39.32 28.11 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.131 0.491 . . . . 4.77 110.539 178.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 71' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -82.78 -56.71 3.67 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.549 -0.75 . . . . 2.82 111.223 -176.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 72' ' ' THR . . . . . . . . . . . . . 1.5 p -89.09 -7.84 55.01 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.928 -0.578 . . . . 2.27 112.138 -176.028 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 73' ' ' GLN . . . . . 0.623 ' HA ' ' O ' ' S' ' 69' ' ' ASP . 18.8 pt20 45.39 33.59 1.31 Allowed 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.068 0.947 . . . . 2.59 112.235 -178.49 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' S' S ' 74' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -94.75 165.34 12.54 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.117 -0.492 . . . . 3.24 110.079 178.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 75' ' ' SER . . . . . 0.4 ' HB3' ' HA ' ' S' ' 44' ' ' TYR . 44.8 t -90.4 146.54 24.08 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.601 -0.518 . . . . 1.54 109.601 174.664 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' S' S ' 76' ' ' ARG . . . . . 0.439 ' HG3' ' HB ' ' S' ' 67' ' ' ILE . 5.3 mmp_? -76.21 -9.65 58.8 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.346 -0.388 . . . . 2.96 110.842 179.356 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' S' S ' 77' ' ' GLY . . . . . . . . . . . . . . . 80.55 20.47 66.25 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.642 -0.79 . . . . 0.63 111.63 -177.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 78' ' ' TYR . . . . . 0.404 ' CB ' ' HA2' ' S' ' 40' ' ' GLY . 11.9 p90 -165.31 163.62 19.95 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.396 -0.594 . . . . 1.05 109.396 178.122 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' S' S ' 79' ' ' GLY . . . . . . . . . . . . . . . -138.29 163.96 25.66 Favored Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 111.204 -0.759 . . . . 0.19 111.204 177.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 80' ' ' PHE . . . . . 0.443 ' CE1' ' HD1' ' S' ' 38' ' ' PHE . 90.1 m-85 -113.2 134.82 54.39 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.858 -0.423 . . . . 0.47 109.858 178.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' S' S ' 81' ' ' VAL . . . . . 0.467 HG23 ' HB3' ' S' ' 64' ' ' ALA . 50.6 t -124.55 115.8 45.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 115.904 -0.589 . . . . 1.11 109.884 178.221 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' S' S ' 82' ' ' THR . . . . . 0.567 ' HA ' ' O ' ' S' ' 35' ' ' THR . 11.7 m -99.89 102.35 13.72 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 108.895 -0.78 . . . . 1.09 108.895 176.61 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' S' S ' 83' ' ' MET . . . . . 0.625 ' HG3' ' HA ' ' S' ' 89' ' ' ALA . 98.7 mmm -75.63 159.03 31.62 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.19 -0.459 . . . . 1.13 109.967 -179.436 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' S' S ' 84' ' ' LYS . . . . . 0.675 ' HD2' ' HB3' ' S' ' 60' ' ' ASP . 14.8 ptmt -59.19 -32.25 69.75 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.437 0.532 . . . . 2.79 112.437 -173.731 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' S' S ' 85' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -167.73 -173.04 2.03 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 109.729 -0.471 . . . . 1.85 109.729 178.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 86' ' ' ARG . . . . . . . . . . . . . 51.0 mmt-85 -63.1 -46.71 86.09 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.76 0.314 . . . . 4.59 110.975 -172.234 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.99 77.29 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.947 -0.57 . . . . 1.26 112.033 -175.216 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 88' ' ' SER . . . . . . . . . . . . . 13.9 m -67.22 -39.7 86.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.949 0.404 . . . . 1.26 110.535 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 89' ' ' ALA . . . . . 0.625 ' HA ' ' HG3' ' S' ' 83' ' ' MET . . . -58.94 -46.01 89.05 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.816 -0.629 . . . . 1.17 110.917 177.406 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' S' S ' 90' ' ' GLU . . . . . 0.588 ' HB3' ' HE2' ' S' ' 94' ' ' LYS . 29.7 mt-10 -55.14 -49.01 72.87 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-N 116.539 -0.301 . . . . 1.85 111.192 177.524 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' S' S ' 91' ' ' ARG . . . . . 0.447 ' HD3' ' O ' ' S' ' 58' ' ' PHE . 78.1 ttt180 -56.7 -34.85 67.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.304 -0.407 . . . . 3.45 111.09 -177.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' S' S ' 92' ' ' ALA . . . . . . . . . . . . . . . -80.05 -20.5 45.1 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.963 -0.562 . . . . 1.15 111.411 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 93' ' ' CYS . . . . . . . . . . . . . 64.4 m -103.9 2.22 32.27 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.058 0.392 . . . . 2.24 112.058 -176.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 94' ' ' LYS . . . . . 0.588 ' HE2' ' HB3' ' S' ' 90' ' ' GLU . 73.3 mmtt -62.98 -33.49 75.51 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.657 0.265 . . . . 3.42 111.068 179.149 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' S' S ' 95' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -99.83 109.33 55.42 Favored Pre-proline 0 C--N 1.328 -0.353 0 N-CA-C 109.738 -0.467 . . . . 2.13 109.738 173.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 96' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -69.62 -39.86 6.26 Favored 'Trans proline' 0 C--O 1.234 0.292 0 C-N-CA 122.672 2.248 . . . . 1.08 113.261 -174.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 97' ' ' ASN . . . . . 0.445 ' HA ' ' O ' ' S' ' 105' ' ' ALA . 12.7 m120 -124.97 80.28 63.98 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 120.761 0.315 . . . . 1.08 111.029 -178.575 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' S' S ' 98' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -83.86 152.18 12.92 Favored 'Trans proline' 0 N--CA 1.454 -0.823 0 C-N-CA 122.836 2.358 . . . . 0.76 112.043 177.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 99' ' ' ILE . . . . . . . . . . . . . 49.1 mm -87.85 109.68 19.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 109.794 -0.447 . . . . 1.19 109.794 177.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 100' ' ' ILE . . . . . . . . . . . . . 51.3 mt -116.88 120.27 64.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 109.642 -0.503 . . . . 1.18 109.642 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 101' ' ' ASP . . . . . . . . . . . . . 27.3 t70 64.93 15.68 10.07 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 121.967 0.889 . . . . 1.4 110.672 178.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 102' ' ' GLY . . . . . . . . . . . . . . . 93.98 4.18 63.39 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.75 -0.738 . . . . 0.93 112.683 -179.281 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 103' ' ' ARG . . . . . 0.586 ' HE ' ' HA ' ' S' ' 103' ' ' ARG . 2.9 mmp_? -111.59 151.95 28.16 Favored 'General case' 0 N--CA 1.448 -0.535 0 O-C-N 122.509 -0.406 . . . . 3.59 110.822 179.184 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' S' S ' 104' ' ' LYS . . . . . . . . . . . . . 13.7 ttmm -85.0 99.08 10.77 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.624 -0.51 . . . . 2.58 109.624 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 105' ' ' ALA . . . . . 0.445 ' O ' ' HA ' ' S' ' 97' ' ' ASN . . . -86.43 162.81 17.94 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.189 0.518 . . . . 1.06 111.3 -174.715 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' S' S ' 106' ' ' ASN . . . . . 0.427 HD21 ' C ' ' S' ' 105' ' ' ALA . 0.9 OUTLIER -119.13 113.13 20.43 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.706 -0.679 . . . . 2.54 109.488 178.589 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' S' S ' 107' ' ' VAL . . . . . . . . . . . . . 61.9 t -105.78 126.76 61.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 109.666 -0.494 . . . . 1.22 109.666 179.159 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 108' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -165.1 158.9 17.18 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.231 -0.441 . . . . 1.76 110.033 -178.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 109' ' ' LEU . . . . . 0.476 HD11 ' HE2' ' S' ' 111' ' ' TYR . 97.0 mt -76.43 134.53 39.56 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.66 0.267 . . . . 1.22 110.407 -179.717 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' S' S ' 110' ' ' ALA . . . . . . . . . . . . . . . -57.25 -36.71 71.29 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 113.244 0.831 . . . . 1.25 113.244 -171.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 111' ' ' TYR . . . . . 0.476 ' HE2' HD11 ' S' ' 109' ' ' LEU . 26.9 p90 . . . . . 0 C--N 1.327 -0.381 0 CA-C-O 120.833 0.349 . . . . 1.7 111.557 -175.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 33' ' ' MET . . . . . 0.441 ' HB2' ' HB2' ' S' ' 111' ' ' TYR . 20.4 ptt? . . . . . 0 CA--C 1.532 0.265 0 CA-C-O 120.701 0.286 . . . . 2.01 111.623 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 34' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -103.42 -2.38 27.02 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.016 0.376 . . . . 1.16 112.016 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 35' ' ' THR . . . . . . . . . . . . . 11.8 p -127.13 -7.51 5.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.956 0.408 . . . . 1.22 111.389 -177.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 36' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -89.22 98.55 11.83 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.962 -0.563 . . . . 2.47 110.169 179.428 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 37' ' ' ILE . . . . . . . . . . . . . 65.5 mt -90.22 131.67 36.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.603 -0.726 . . . . 1.18 110.898 -177.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 38' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -99.57 117.92 35.0 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.643 -0.708 . . . . 0.57 109.714 178.26 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 39' ' ' VAL . . . . . 0.414 HG22 HD12 ' S' ' 51' ' ' LEU . 19.5 t -110.1 98.67 7.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 116.199 -0.455 . . . . 1.01 109.781 179.098 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' S' S ' 40' ' ' GLY . . . . . . . . . . . . . . . -100.39 152.89 19.27 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.601 -0.809 . . . . 0.27 111.835 -179.068 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 41' ' ' GLY . . . . . . . . . . . . . . . 98.25 15.32 35.93 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.553 -0.832 . . . . 0.49 111.91 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 42' ' ' LEU . . . . . 0.593 HD12 HD11 ' S' ' 51' ' ' LEU . 65.6 mt -77.73 133.65 66.17 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-O 120.514 0.197 . . . . 1.11 110.599 -179.607 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' S' S ' 43' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -53.99 155.77 14.18 Favored 'Trans proline' 0 N--CA 1.462 -0.36 0 C-N-CA 122.834 2.356 . . . . 0.62 112.546 177.019 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 44' ' ' TYR . . . . . 0.835 ' HA ' ' HB3' ' S' ' 75' ' ' SER . 13.4 m-85 -79.43 2.06 23.19 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.636 -0.711 . . . . 2.81 111.436 -171.678 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' S' S ' 45' ' ' HIS . . . . . . . . . . . . . 4.3 p80 -117.49 4.88 12.44 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.109 0.481 . . . . 3.13 109.908 178.016 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 46' ' ' THR . . . . . 0.412 HG21 ' HB ' ' S' ' 50' ' ' THR . 91.0 m -77.82 126.43 30.85 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.953 -0.567 . . . . 1.14 110.882 -178.41 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' S' S ' 47' ' ' SER . . . . . 0.496 ' HB2' ' HG2' ' S' ' 49' ' ' LYS . 5.1 m -97.57 168.18 10.52 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.104 -0.498 . . . . 0.68 110.436 -178.847 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' S' S ' 48' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -55.62 -39.63 71.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.067 -0.515 . . . . 1.29 110.873 178.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 49' ' ' LYS . . . . . 0.496 ' HG2' ' HB2' ' S' ' 47' ' ' SER . 14.1 ptmt -60.21 -28.38 67.94 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.638 -0.71 . . . . 3.0 111.528 179.626 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' S' S ' 50' ' ' THR . . . . . 0.412 ' HB ' HG21 ' S' ' 46' ' ' THR . 15.1 m -77.8 -44.24 28.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.966 0.412 . . . . 1.15 110.132 -179.435 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' S' S ' 51' ' ' LEU . . . . . 0.593 HD11 HD12 ' S' ' 42' ' ' LEU . 36.4 tp -59.71 -41.93 91.92 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.586 0.708 . . . . 1.23 109.564 174.246 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' S' S ' 52' ' ' HIS . . . . . . . . . . . . . 30.7 t-80 -63.71 -45.35 90.35 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.06 -0.973 . . . . 0.73 110.925 176.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 53' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -46.81 -49.44 19.97 Favored 'General case' 0 N--CA 1.467 0.38 0 O-C-N 123.789 0.681 . . . . 2.24 111.619 179.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 54' ' ' TYR . . . . . . . . . . . . . 45.8 t80 -76.67 -40.88 47.59 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.224 -0.444 . . . . 1.2 111.838 -174.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 55' ' ' PHE . . . . . . . . . . . . . 41.4 m-85 -86.42 -22.73 26.38 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 114.355 1.243 . . . . 0.68 114.355 -169.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 56' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -65.23 -16.7 63.82 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 121.796 0.808 . . . . 1.47 109.666 179.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 57' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -60.58 -23.97 65.09 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.995 -1.002 . . . . 3.67 111.49 175.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 58' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -99.78 1.41 43.13 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.183 -0.462 . . . . 0.71 111.683 -175.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 59' ' ' GLY . . . . . . . . . . . . . . . 138.53 173.92 13.2 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.975 -0.631 . . . . 0.51 111.876 178.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 60' ' ' ASP . . . . . 0.416 ' HB2' ' CE ' ' S' ' 84' ' ' LYS . 26.1 m-20 -63.89 135.61 56.69 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 120.935 0.397 . . . . 1.99 110.482 178.808 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' S' S ' 61' ' ' ILE . . . . . 0.685 HG22 ' HB3' ' S' ' 64' ' ' ALA . 66.9 mt -107.07 134.6 48.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.707 -0.679 . . . . 1.13 110.438 -178.48 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' S' S ' 62' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -83.85 -40.39 18.71 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.619 0.247 . . . . 1.91 110.638 178.088 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 63' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -147.5 121.22 9.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.313 -0.403 . . . . 1.81 110.885 179.212 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 64' ' ' ALA . . . . . 0.685 ' HB3' HG22 ' S' ' 61' ' ' ILE . . . -139.59 100.82 4.07 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.482 -0.326 . . . . 1.14 110.283 175.758 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' S' S ' 65' ' ' VAL . . . . . . . . . . . . . 35.0 m -137.09 148.36 26.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.275 -0.42 . . . . 1.07 111.33 -177.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 66' ' ' VAL . . . . . . . . . . . . . 40.9 t -99.33 114.08 36.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 108.62 -0.881 . . . . 1.07 108.62 173.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 67' ' ' ILE . . . . . . . . . . . . . 34.4 mm -69.87 128.74 33.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.677 0.275 . . . . 1.19 110.681 -173.528 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 68' ' ' THR . . . . . . . . . . . . . 19.9 p -96.5 157.36 15.93 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 116.051 -0.522 . . . . 1.27 110.607 -179.328 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 69' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.63 151.89 30.32 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.745 -0.465 . . . . 1.75 109.745 178.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' S' S ' 70' ' ' ARG . . . . . . . . . . . . . 65.1 mtt180 -80.54 -6.59 58.46 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.41 0.522 . . . . 4.77 112.41 -174.353 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 71' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -92.51 -56.64 2.95 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.699 -0.228 . . . . 2.82 110.91 -177.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 72' ' ' THR . . . . . . . . . . . . . 33.8 p -112.35 -4.29 14.32 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.652 0.612 . . . . 2.27 112.652 -175.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 73' ' ' GLN . . . . . . . . . . . . . 75.1 mm-40 61.37 38.89 15.86 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.019 0.438 . . . . 2.59 111.246 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 74' ' ' LYS . . . . . . . . . . . . . 57.2 mttp -109.4 170.53 8.0 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.079 -0.51 . . . . 3.24 109.886 174.227 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 75' ' ' SER . . . . . 0.835 ' HB3' ' HA ' ' S' ' 44' ' ' TYR . 41.2 t -61.31 139.63 58.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.922 0.391 . . . . 1.54 111.358 -177.606 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' S' S ' 76' ' ' ARG . . . . . . . . . . . . . 24.3 mtp180 -88.81 7.5 33.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.807 -0.633 . . . . 2.96 110.496 175.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 77' ' ' GLY . . . . . . . . . . . . . . . 90.13 13.42 60.46 Favored Glycine 0 N--CA 1.45 -0.397 0 CA-C-N 115.9 -0.591 . . . . 0.63 113.18 173.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 78' ' ' TYR . . . . . . . . . . . . . 36.5 p90 -162.34 163.81 27.72 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.179 0.514 . . . . 1.05 111.378 179.3 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 79' ' ' GLY . . . . . . . . . . . . . . . -145.0 166.42 27.5 Favored Glycine 0 N--CA 1.443 -0.861 0 N-CA-C 111.086 -0.805 . . . . 0.19 111.086 177.187 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 80' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -118.97 136.61 54.01 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 117.003 0.402 . . . . 0.47 110.686 -178.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 81' ' ' VAL . . . . . . . . . . . . . 21.5 t -124.4 118.43 53.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.229 -0.441 . . . . 1.11 110.444 178.385 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 82' ' ' THR . . . . . . . . . . . . . 11.9 m -105.76 115.01 29.51 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 109.533 -0.543 . . . . 1.09 109.533 177.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 83' ' ' MET . . . . . 0.412 ' SD ' HG12 ' S' ' 61' ' ' ILE . 92.7 mmm -90.37 173.74 7.95 Favored 'General case' 0 C--N 1.331 -0.201 0 O-C-N 123.706 0.628 . . . . 1.13 111.277 -175.688 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' S' S ' 84' ' ' LYS . . . . . 0.416 ' CE ' ' HB2' ' S' ' 60' ' ' ASP . 19.3 ptpt -70.36 -37.18 74.56 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.862 -0.608 . . . . 2.79 111.742 -176.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' S' S ' 85' ' ' ASP . . . . . . . . . . . . . 22.0 p30 -152.62 -176.61 5.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.44 -0.345 . . . . 1.85 110.89 -175.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 86' ' ' ARG . . . . . 0.658 HH12 HD12 ' S' ' 109' ' ' LEU . 28.0 tpt180 -65.32 -43.55 90.66 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.281 -0.418 . . . . 4.59 111.146 179.24 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' S' S ' 87' ' ' ALA . . . . . 0.408 ' O ' ' HG3' ' S' ' 91' ' ' ARG . . . -58.21 -48.27 80.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.856 0.36 . . . . 1.26 111.412 -176.054 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' S' S ' 88' ' ' SER . . . . . . . . . . . . . 6.3 p -63.7 -38.31 90.63 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.311 -0.404 . . . . 1.26 110.926 178.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.9 -44.57 96.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.032 -0.531 . . . . 1.17 110.835 177.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 90' ' ' GLU . . . . . 0.676 ' HA ' ' SG ' ' S' ' 93' ' ' CYS . 59.4 mt-10 -65.74 -33.93 77.02 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.254 -0.43 . . . . 1.85 110.853 -178.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' S' S ' 91' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' S' ' 91' ' ' ARG . 69.7 mtt180 -60.56 -38.04 83.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.923 0.392 . . . . 3.45 110.529 175.379 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' S' S ' 92' ' ' ALA . . . . . . . . . . . . . . . -77.0 -41.91 40.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.871 -0.604 . . . . 1.15 111.395 -178.198 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 93' ' ' CYS . . . . . 0.676 ' SG ' ' HA ' ' S' ' 90' ' ' GLU . 29.0 p -88.35 12.05 15.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.926 0.393 . . . . 2.24 110.839 178.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' S' S ' 94' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.51 -47.85 78.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.685 -0.689 . . . . 3.42 109.652 175.724 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' S' S ' 95' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -111.49 113.15 53.75 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-N 115.797 -0.638 . . . . 2.13 109.87 -179.092 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 96' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.53 -28.34 45.5 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.936 2.424 . . . . 1.08 113.524 -173.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 97' ' ' ASN . . . . . 0.411 HD21 ' HA ' ' S' ' 97' ' ' ASN . 7.6 m120 -131.12 79.07 71.71 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 120.845 0.355 . . . . 1.08 111.501 -175.25 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' S' S ' 98' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -89.92 167.92 4.66 Favored 'Trans proline' 0 N--CA 1.453 -0.858 0 C-N-CA 122.791 2.327 . . . . 0.76 112.477 177.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 99' ' ' ILE . . . . . . . . . . . . . 50.8 mm -100.78 100.98 11.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.974 0.416 . . . . 1.19 110.084 179.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 100' ' ' ILE . . . . . . . . . . . . . 48.1 mt -109.84 123.55 65.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.094 -0.503 . . . . 1.18 109.856 -179.264 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 101' ' ' ASP . . . . . . . . . . . . . 30.2 t70 64.17 14.43 8.6 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 121.507 0.67 . . . . 1.4 110.897 178.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 102' ' ' GLY . . . . . . . . . . . . . . . 100.41 -4.55 56.89 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.829 -0.701 . . . . 0.93 113.131 177.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 103' ' ' ARG . . . . . . . . . . . . . 9.2 mmt180 -116.95 157.33 25.92 Favored 'General case' 0 N--CA 1.452 -0.368 0 O-C-N 122.63 -0.335 . . . . 3.59 110.54 179.195 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 104' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -87.43 122.81 31.66 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.659 0.266 . . . . 2.58 110.581 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 105' ' ' ALA . . . . . . . . . . . . . . . -105.99 165.44 11.21 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.081 -0.508 . . . . 1.06 111.282 -176.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 106' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -110.51 109.47 19.82 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.41 -0.589 . . . . 2.54 109.41 178.124 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 107' ' ' VAL . . . . . . . . . . . . . 53.7 t -102.59 126.74 56.71 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 N-CA-C 110.051 -0.351 . . . . 1.22 110.051 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 108' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -162.54 157.67 22.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 1.76 109.871 -176.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 109' ' ' LEU . . . . . 0.658 HD12 HH12 ' S' ' 86' ' ' ARG . 96.6 mt -73.59 133.37 43.49 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.74 -0.467 . . . . 1.22 109.74 176.544 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' S' S ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.74 -28.97 70.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.039 0.447 . . . . 1.25 110.858 179.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 111' ' ' TYR . . . . . 0.441 ' HB2' ' HB2' ' S' ' 33' ' ' MET . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.54 0 CA-C-N 115.657 -0.701 . . . . 1.7 111.234 -179.346 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 55.8 ttm . . . . . 0 N--CA 1.451 -0.392 0 CA-C-O 121.009 0.433 . . . . 2.01 110.6 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' S' S ' 34' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -93.37 4.7 53.55 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.041 -0.527 . . . . 1.16 111.4 -175.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' S' S ' 35' ' ' THR . . . . . 0.631 ' O ' ' HA ' ' S' ' 82' ' ' THR . 18.3 p -110.2 -11.02 14.62 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.319 -0.4 . . . . 1.22 110.452 -178.235 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' S' S ' 36' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -94.17 103.42 15.46 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.617 -0.72 . . . . 2.47 111.068 -172.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' S' S ' 37' ' ' ILE . . . . . 0.544 HD12 ' HA ' ' S' ' 89' ' ' ALA . 72.3 mt -95.84 131.66 42.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.947 -0.57 . . . . 1.18 110.371 177.698 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' S' S ' 38' ' ' PHE . . . . . 0.462 ' HD1' ' CE1' ' S' ' 80' ' ' PHE . 92.6 t80 -98.52 123.76 42.87 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.374 -0.602 . . . . 0.57 109.374 176.558 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' S' S ' 39' ' ' VAL . . . . . . . . . . . . . 21.7 t -121.67 104.08 14.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.442 -0.345 . . . . 1.01 110.333 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' S' S ' 40' ' ' GLY . . . . . . . . . . . . . . . -114.85 165.21 12.05 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.914 -0.66 . . . . 0.27 112.073 -178.062 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' S' S ' 41' ' ' GLY . . . . . . . . . . . . . . . 94.37 25.78 15.39 Favored Glycine 0 C--O 1.229 -0.182 0 C-N-CA 121.047 -0.597 . . . . 0.49 111.999 178.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' S' S ' 42' ' ' LEU . . . . . 0.598 HD11 HG22 ' S' ' 46' ' ' THR . 69.7 mt -99.83 146.79 32.48 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-O 120.574 0.226 . . . . 1.11 110.687 -177.003 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' S' S ' 43' ' ' PRO . . . . . 0.453 ' HG3' ' HG3' ' S' ' 103' ' ' ARG . 17.2 Cg_exo -67.98 165.97 26.34 Favored 'Trans proline' 0 N--CA 1.462 -0.335 0 C-N-CA 122.444 2.096 . . . . 0.62 111.571 172.398 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' S' S ' 44' ' ' TYR . . . . . 0.402 ' HA ' ' HB3' ' S' ' 75' ' ' SER . 20.9 m-85 -66.49 -16.36 64.07 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 121.373 0.606 . . . . 2.81 111.213 -178.353 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' S' S ' 45' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -84.94 -6.46 59.34 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.508 -0.769 . . . . 3.13 110.791 -174.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' S' S ' 46' ' ' THR . . . . . 0.598 HG22 HD11 ' S' ' 42' ' ' LEU . 6.5 m -75.63 110.39 9.99 Favored 'General case' 0 N--CA 1.443 -0.79 0 N-CA-C 109.584 -0.524 . . . . 1.14 109.584 -176.454 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' S' S ' 47' ' ' SER . . . . . . . . . . . . . 15.7 m -89.9 166.55 13.43 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.072 0.463 . . . . 0.68 110.754 -178.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' S' S ' 48' ' ' ASP . . . . . 0.421 ' CB ' ' HA ' ' S' ' 65' ' ' VAL . 30.1 p-10 -59.89 -43.71 94.64 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.874 -0.603 . . . . 1.29 110.809 178.791 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' S' S ' 49' ' ' LYS . . . . . . . . . . . . . 54.1 pttt -61.97 -31.96 72.36 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.711 -0.677 . . . . 3.0 111.229 176.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' S' S ' 50' ' ' THR . . . . . . . . . . . . . 7.8 m -68.17 -46.78 69.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.084 0.469 . . . . 1.15 110.239 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' S' S ' 51' ' ' LEU . . . . . 0.426 HD23 ' HA3' ' S' ' 79' ' ' GLY . 34.7 tp -59.38 -42.95 92.85 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.468 -0.787 . . . . 1.23 109.941 176.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' S' S ' 52' ' ' HIS . . . . . 0.429 ' CD2' HD13 ' S' ' 61' ' ' ILE . 58.5 t-80 -61.85 -46.73 88.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.558 -0.746 . . . . 0.73 110.629 177.431 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' S' S ' 53' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -54.02 -38.04 64.72 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 122.761 0.424 . . . . 2.24 111.464 -177.168 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' S' S ' 54' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -77.25 -41.58 40.52 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.98 0.419 . . . . 1.2 111.52 -177.309 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' S' S ' 55' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -85.03 -20.15 30.88 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.33 0.493 . . . . 0.68 112.33 -174.202 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' S' S ' 56' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -57.04 -23.54 47.24 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.435 0.636 . . . . 1.47 110.228 178.396 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' S' S ' 57' ' ' GLN . . . . . . . . . . . . . 19.3 tp60 -55.64 -34.24 64.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.141 -0.936 . . . . 3.67 111.541 174.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' S' S ' 58' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -93.24 -6.37 47.77 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 112.093 0.405 . . . . 0.71 112.093 -172.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' S' S ' 59' ' ' GLY . . . . . . . . . . . . . . . 141.71 -168.63 25.5 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.444 -0.884 . . . . 0.51 112.997 177.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' S' S ' 60' ' ' ASP . . . . . 0.696 ' HB2' ' HD2' ' S' ' 84' ' ' LYS . 10.1 m-20 -72.14 143.32 49.0 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 120.9 0.381 . . . . 1.99 110.786 -178.17 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' S' S ' 61' ' ' ILE . . . . . 0.776 HG22 ' HB3' ' S' ' 64' ' ' ALA . 61.6 mt -119.8 125.34 74.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.936 -0.575 . . . . 1.13 110.498 -178.094 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' S' S ' 62' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -81.03 -31.51 34.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 1.91 110.96 -178.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' S' S ' 63' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -155.11 116.99 4.12 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.034 -0.53 . . . . 1.81 110.062 -177.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' S' S ' 64' ' ' ALA . . . . . 0.776 ' HB3' HG22 ' S' ' 61' ' ' ILE . . . -139.39 100.9 4.11 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.733 0.301 . . . . 1.14 110.355 177.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' S' S ' 65' ' ' VAL . . . . . 0.421 ' HA ' ' CB ' ' S' ' 48' ' ' ASP . 21.6 m -140.27 142.26 31.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 120.808 0.337 . . . . 1.07 111.082 -177.449 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' S' S ' 66' ' ' VAL . . . . . . . . . . . . . 91.7 t -90.12 118.06 34.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 108.337 -0.986 . . . . 1.07 108.337 171.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' S' S ' 67' ' ' ILE . . . . . 0.406 HG23 ' HD3' ' S' ' 76' ' ' ARG . 46.8 mm -68.83 123.95 23.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.25 -0.432 . . . . 1.19 111.466 -171.232 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' S' S ' 68' ' ' THR . . . . . . . . . . . . . 7.7 p -93.34 146.94 23.36 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 115.627 -0.715 . . . . 1.27 109.88 176.322 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' S' S ' 69' ' ' ASP . . . . . 0.539 ' O ' ' HA ' ' S' ' 73' ' ' GLN . 18.2 t70 -65.52 149.72 49.58 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.238 -0.437 . . . . 1.75 110.802 -179.589 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' S' S ' 70' ' ' ARG . . . . . . . . . . . . . 57.5 mtp180 -78.92 -29.76 44.38 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.345 -0.389 . . . . 4.77 111.058 -175.198 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' S' S ' 71' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -86.34 -56.24 3.53 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.369 -0.378 . . . . 2.82 111.536 -179.104 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' S' S ' 72' ' ' THR . . . . . . . . . . . . . 61.5 p -86.1 -24.16 26.39 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.189 -0.46 . . . . 2.27 111.937 -175.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' S' S ' 73' ' ' GLN . . . . . 0.848 ' HA ' HE21 ' S' ' 73' ' ' GLN . 0.0 OUTLIER 66.17 19.38 11.1 Favored 'General case' 0 N--CA 1.465 0.318 0 O-C-N 123.573 0.546 . . . . 2.59 111.166 -176.394 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' S' S ' 74' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -94.66 162.73 13.66 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.038 -0.528 . . . . 3.24 109.786 177.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' S' S ' 75' ' ' SER . . . . . 0.402 ' HB3' ' HA ' ' S' ' 44' ' ' TYR . 47.8 t -63.42 137.97 58.35 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.86 0.362 . . . . 1.54 110.679 -179.647 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' S' S ' 76' ' ' ARG . . . . . 0.644 ' HE ' ' HH ' ' S' ' 78' ' ' TYR . 32.8 mtp85 -93.48 3.17 55.99 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.262 -0.427 . . . . 2.96 111.287 -178.321 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' S' S ' 77' ' ' GLY . . . . . . . . . . . . . . . 87.14 20.32 53.14 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.592 -0.813 . . . . 0.63 114.077 172.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' S' S ' 78' ' ' TYR . . . . . 0.644 ' HH ' ' HE ' ' S' ' 76' ' ' ARG . 39.0 p90 -166.27 159.37 14.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 117.144 0.472 . . . . 1.05 110.455 178.506 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' S' S ' 79' ' ' GLY . . . . . 0.426 ' HA3' HD23 ' S' ' 51' ' ' LEU . . . -140.64 165.43 26.13 Favored Glycine 0 N--CA 1.447 -0.628 0 N-CA-C 111.411 -0.676 . . . . 0.19 111.411 179.301 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' S' S ' 80' ' ' PHE . . . . . 0.462 ' CE1' ' HD1' ' S' ' 38' ' ' PHE . 96.6 m-85 -113.78 137.56 51.47 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 110.118 -0.327 . . . . 0.47 110.118 177.662 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' S' S ' 81' ' ' VAL . . . . . . . . . . . . . 37.4 t -121.47 112.73 36.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.182 -0.463 . . . . 1.11 110.262 178.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' S' S ' 82' ' ' THR . . . . . 0.631 ' HA ' ' O ' ' S' ' 35' ' ' THR . 23.2 m -102.39 107.11 18.01 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.295 -0.631 . . . . 1.09 109.295 176.307 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' S' S ' 83' ' ' MET . . . . . 0.484 ' SD ' HG12 ' S' ' 61' ' ' ILE . 92.4 mmm -79.81 159.11 26.63 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 110.104 -0.332 . . . . 1.13 110.104 -178.04 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' S' S ' 84' ' ' LYS . . . . . 0.696 ' HD2' ' HB2' ' S' ' 60' ' ' ASP . 9.8 ptmm? -66.7 -28.66 68.62 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 121.086 0.47 . . . . 2.79 110.475 -179.734 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' S' S ' 85' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -135.46 153.86 51.62 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 116.061 -0.518 . . . . 1.85 111.186 -178.036 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' S' S ' 86' ' ' ARG . . . . . . . . . . . . . 82.3 mtm180 -67.2 -27.33 67.17 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.295 -0.866 . . . . 4.59 110.171 178.166 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' S' S ' 87' ' ' ALA . . . . . 0.511 ' O ' ' HG3' ' S' ' 90' ' ' GLU . . . -66.74 -40.08 88.19 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.146 -0.479 . . . . 1.26 110.748 177.203 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' S' S ' 88' ' ' SER . . . . . . . . . . . . . 15.3 m -67.74 -33.45 74.88 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.225 0.536 . . . . 1.26 110.196 177.291 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' S' S ' 89' ' ' ALA . . . . . 0.544 ' HA ' HD12 ' S' ' 37' ' ' ILE . . . -65.31 -46.91 78.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.506 -0.77 . . . . 1.17 111.182 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' S' S ' 90' ' ' GLU . . . . . 0.614 ' O ' ' HG2' ' S' ' 94' ' ' LYS . 2.6 pp20? -66.98 -30.55 70.69 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.739 -0.384 . . . . 1.85 111.033 -179.022 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' S' S ' 91' ' ' ARG . . . . . 0.508 ' HG3' ' O ' ' S' ' 87' ' ' ALA . 99.3 mtt180 -57.03 -50.78 71.67 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 121.005 0.431 . . . . 3.45 110.591 175.411 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' S' S ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.13 -28.88 66.85 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.864 -0.607 . . . . 1.15 111.008 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' S' S ' 93' ' ' CYS . . . . . . . . . . . . . 49.8 t -80.52 -9.68 59.76 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.081 -0.509 . . . . 2.24 111.438 -177.059 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' S' S ' 94' ' ' LYS . . . . . 0.614 ' HG2' ' O ' ' S' ' 90' ' ' GLU . 28.6 mmtp -74.29 -9.86 59.02 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 122.258 -0.276 . . . . 3.42 111.555 178.404 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' S' S ' 95' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -120.97 89.26 45.75 Favored Pre-proline 0 C--N 1.327 -0.404 0 N-CA-C 108.667 -0.864 . . . . 2.13 108.667 172.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' S' S ' 96' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_exo -67.84 -29.83 34.47 Favored 'Trans proline' 0 C--O 1.234 0.276 0 C-N-CA 122.997 2.465 . . . . 1.08 113.709 -171.025 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' S' S ' 97' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -128.78 77.18 78.04 Favored Pre-proline 0 N--CA 1.467 0.404 0 CA-C-O 120.556 0.217 . . . . 1.08 110.963 -178.266 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' S' S ' 98' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -84.91 151.86 11.2 Favored 'Trans proline' 0 N--CA 1.455 -0.782 0 C-N-CA 123.198 2.599 . . . . 0.76 112.095 178.476 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' S' S ' 99' ' ' ILE . . . . . . . . . . . . . 48.9 mm -93.31 108.32 20.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 116.012 -0.54 . . . . 1.19 110.544 178.14 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' S' S ' 100' ' ' ILE . . . . . . . . . . . . . 62.7 mt -116.82 122.85 70.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.51 -0.768 . . . . 1.18 109.473 179.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' S' S ' 101' ' ' ASP . . . . . . . . . . . . . 38.5 t70 65.67 15.47 10.06 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 121.913 0.863 . . . . 1.4 110.358 -178.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' S' S ' 102' ' ' GLY . . . . . . . . . . . . . . . 89.72 -0.81 80.41 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.75 -0.738 . . . . 0.93 111.55 -177.29 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' S' S ' 103' ' ' ARG . . . . . 0.453 ' HG3' ' HG3' ' S' ' 43' ' ' PRO . 35.4 mmt180 -103.18 151.84 22.15 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-O 120.801 0.334 . . . . 3.59 110.794 -179.468 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' S' S ' 104' ' ' LYS . . . . . 0.402 ' HE3' ' HB2' ' S' ' 104' ' ' LYS . 35.5 ttmt -89.51 108.82 19.88 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.239 -0.437 . . . . 2.58 110.172 -178.604 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' S' S ' 105' ' ' ALA . . . . . . . . . . . . . . . -94.44 157.62 15.92 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.235 -0.439 . . . . 1.06 111.113 -177.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' S' S ' 106' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -111.23 110.06 20.37 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.906 -0.588 . . . . 2.54 109.66 178.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' S' S ' 107' ' ' VAL . . . . . . . . . . . . . 75.2 t -109.7 127.08 66.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 120.958 0.409 . . . . 1.22 110.669 -178.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' S' S ' 108' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -163.97 151.74 12.6 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.786 -0.643 . . . . 1.76 109.903 -179.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' S' S ' 109' ' ' LEU . . . . . . . . . . . . . 94.8 mt -65.77 129.94 41.53 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.439 -0.578 . . . . 1.22 109.439 175.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' S' S ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.28 -24.27 67.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.021 0.439 . . . . 1.25 111.189 -176.215 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' S' S ' 111' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.441 0 CA-C-N 115.762 -0.654 . . . . 1.7 110.986 179.653 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 25.6 ttt . . . . . 0 N--CA 1.456 -0.135 0 CA-C-O 121.121 0.486 . . . . 2.01 110.745 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' S' S ' 34' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -108.67 14.45 24.44 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.991 -0.549 . . . . 1.16 111.65 -175.023 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' S' S ' 35' ' ' THR . . . . . . . . . . . . . 74.9 p -123.78 -3.43 8.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.876 0.37 . . . . 1.22 110.779 -179.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' S' S ' 36' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -91.93 103.1 15.66 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.612 0.72 . . . . 2.47 110.472 -178.491 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' S' S ' 37' ' ' ILE . . . . . 0.622 HD12 ' HA ' ' S' ' 89' ' ' ALA . 63.2 mt -96.17 142.44 13.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 114.987 -1.006 . . . . 1.18 111.0 -176.66 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' S' S ' 38' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -104.91 133.28 49.97 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.875 -0.602 . . . . 0.57 109.616 173.275 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' S' S ' 39' ' ' VAL . . . . . . . . . . . . . 20.7 t -126.33 103.05 10.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.382 -0.372 . . . . 1.01 110.03 178.186 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' S' S ' 40' ' ' GLY . . . . . . . . . . . . . . . -113.79 152.82 17.91 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.471 -0.871 . . . . 0.27 112.002 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' S' S ' 41' ' ' GLY . . . . . . . . . . . . . . . 99.31 38.62 3.71 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.651 -0.785 . . . . 0.49 111.66 -179.12 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' S' S ' 42' ' ' LEU . . . . . 0.483 ' O ' ' HA2' ' S' ' 77' ' ' GLY . 57.8 mt -104.14 144.64 29.11 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-N 115.494 -0.353 . . . . 1.11 110.289 -178.104 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' S' S ' 43' ' ' PRO . . . . . 0.491 ' HD2' ' OG1' ' S' ' 46' ' ' THR . 18.4 Cg_exo -66.85 167.39 19.68 Favored 'Trans proline' 0 N--CA 1.46 -0.491 0 C-N-CA 122.292 1.994 . . . . 0.62 111.612 173.125 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' S' S ' 44' ' ' TYR . . . . . 0.807 ' HA ' ' HB3' ' S' ' 75' ' ' SER . 6.5 m-85 -73.06 -9.88 59.2 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.01 -0.541 . . . . 2.81 110.748 -175.337 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' S' S ' 45' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -89.66 -10.59 45.26 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.668 -0.696 . . . . 3.13 109.379 -178.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' S' S ' 46' ' ' THR . . . . . 0.54 HG23 HG22 ' S' ' 66' ' ' VAL . 91.1 m -85.35 110.15 18.91 Favored 'General case' 0 N--CA 1.437 -1.105 0 CA-C-N 115.464 -0.789 . . . . 1.14 109.655 -178.408 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' S' S ' 47' ' ' SER . . . . . . . . . . . . . 43.2 m -109.72 -175.05 2.64 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.835 -0.62 . . . . 0.68 110.575 -178.242 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' S' S ' 48' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -49.33 -49.49 43.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.834 -0.621 . . . . 1.29 111.216 176.012 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' S' S ' 49' ' ' LYS . . . . . 0.419 ' HG3' ' N ' ' S' ' 50' ' ' THR . 0.7 OUTLIER -58.38 -36.85 74.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.326 -0.397 . . . . 3.0 111.3 179.496 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' S' S ' 50' ' ' THR . . . . . 0.419 ' N ' ' HG3' ' S' ' 49' ' ' LYS . 4.6 m -69.71 -46.14 66.64 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 120.732 0.301 . . . . 1.15 110.809 -175.473 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' S' S ' 51' ' ' LEU . . . . . . . . . . . . . 12.5 tp -65.49 -40.09 92.68 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-O 120.936 0.398 . . . . 1.23 110.321 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' S' S ' 52' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -64.33 -46.2 84.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.73 110.303 177.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' S' S ' 53' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -51.4 -43.24 61.89 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 115.382 -0.826 . . . . 2.24 111.622 -178.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' S' S ' 54' ' ' TYR . . . . . . . . . . . . . 43.4 t80 -76.29 -41.44 48.69 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.966 -0.561 . . . . 1.2 111.604 -175.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' S' S ' 55' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -85.57 -20.79 29.04 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 113.033 0.753 . . . . 0.68 113.033 -172.044 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' S' S ' 56' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -60.57 -21.11 62.22 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 121.138 0.494 . . . . 1.47 111.001 -179.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' S' S ' 57' ' ' GLN . . . . . . . . . . . . . 19.8 tp60 -60.59 -36.94 79.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.048 0.452 . . . . 3.67 110.812 175.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' S' S ' 58' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -81.91 -16.56 50.17 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.435 -0.348 . . . . 0.71 111.329 -174.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' S' S ' 59' ' ' GLY . . . . . . . . . . . . . . . 156.71 178.39 30.76 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.422 -0.894 . . . . 0.51 112.724 178.327 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' S' S ' 60' ' ' ASP . . . . . 0.405 ' HB3' ' HD3' ' S' ' 84' ' ' LYS . 26.0 t70 -71.19 147.75 48.0 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-O 120.877 0.37 . . . . 1.99 110.496 178.283 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' S' S ' 61' ' ' ILE . . . . . 0.614 HG22 ' HB3' ' S' ' 64' ' ' ALA . 51.6 mt -122.93 139.21 50.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.801 -0.636 . . . . 1.13 111.288 -169.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' S' S ' 62' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -88.41 -48.57 7.53 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.072 0.463 . . . . 1.91 110.624 174.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' S' S ' 63' ' ' GLU . . . . . 0.489 ' O ' ' HA ' ' S' ' 81' ' ' VAL . 3.4 tp10 -128.91 124.89 36.34 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.882 -0.599 . . . . 1.81 109.938 -176.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' S' S ' 64' ' ' ALA . . . . . 0.614 ' HB3' HG22 ' S' ' 61' ' ' ILE . . . -149.95 99.5 2.84 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.783 0.325 . . . . 1.14 110.493 176.387 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' S' S ' 65' ' ' VAL . . . . . . . . . . . . . 30.9 m -146.0 142.44 21.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.944 -0.571 . . . . 1.07 110.708 179.58 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' S' S ' 66' ' ' VAL . . . . . 0.54 HG22 HG23 ' S' ' 46' ' ' THR . 87.6 t -95.18 126.17 47.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 107.606 -1.257 . . . . 1.07 107.606 168.626 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' S' S ' 67' ' ' ILE . . . . . . . . . . . . . 50.6 mm -68.43 127.33 30.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.035 0.445 . . . . 1.19 110.875 -170.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' S' S ' 68' ' ' THR . . . . . . . . . . . . . 37.4 p -101.3 144.25 30.37 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 115.464 -0.789 . . . . 1.27 111.318 -176.116 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' S' S ' 69' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -59.55 140.01 56.67 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.458 -0.792 . . . . 1.75 109.891 175.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' S' S ' 70' ' ' ARG . . . . . . . . . . . . . 38.1 mmt180 -74.27 -15.62 60.97 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.238 0.459 . . . . 4.77 112.238 -174.409 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' S' S ' 71' ' ' ASN . . . . . . . . . . . . . 14.3 m-80 -93.84 -56.27 2.94 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.127 0.489 . . . . 2.82 110.25 -176.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' S' S ' 72' ' ' THR . . . . . . . . . . . . . 31.9 p -96.07 -15.23 22.33 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.575 -0.738 . . . . 2.27 112.259 -174.126 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' S' S ' 73' ' ' GLN . . . . . 0.865 ' HA ' HE21 ' S' ' 73' ' ' GLN . 0.0 OUTLIER 64.66 24.26 12.92 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.13 0.49 . . . . 2.59 111.083 -177.53 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' S' S ' 74' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -92.14 165.45 13.14 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.862 -0.608 . . . . 3.24 110.342 177.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' S' S ' 75' ' ' SER . . . . . 0.807 ' HB3' ' HA ' ' S' ' 44' ' ' TYR . 35.8 t -66.36 140.43 58.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.433 -0.348 . . . . 1.54 110.767 179.036 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' S' S ' 76' ' ' ARG . . . . . . . . . . . . . 67.9 mtp180 -101.18 6.04 42.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.066 0.46 . . . . 2.96 110.776 177.207 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' S' S ' 77' ' ' GLY . . . . . 0.483 ' HA2' ' O ' ' S' ' 42' ' ' LEU . . . 90.13 20.85 40.75 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.828 -0.701 . . . . 0.63 114.368 173.089 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' S' S ' 78' ' ' TYR . . . . . . . . . . . . . 46.1 p90 -162.25 151.48 15.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 117.567 0.684 . . . . 1.05 110.976 177.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' S' S ' 79' ' ' GLY . . . . . . . . . . . . . . . -147.59 175.85 26.72 Favored Glycine 0 N--CA 1.444 -0.794 0 C-N-CA 121.162 -0.542 . . . . 0.19 111.878 177.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' S' S ' 80' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -128.38 141.56 51.38 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 110.273 -0.269 . . . . 0.47 110.273 179.081 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' S' S ' 81' ' ' VAL . . . . . 0.489 ' HA ' ' O ' ' S' ' 63' ' ' GLU . 49.9 t -130.75 115.66 31.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.067 0.46 . . . . 1.11 110.652 178.827 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' S' S ' 82' ' ' THR . . . . . . . . . . . . . 24.6 m -101.02 113.33 26.22 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.734 -0.469 . . . . 1.09 109.734 176.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' S' S ' 83' ' ' MET . . . . . . . . . . . . . 91.9 mmm -88.56 167.3 13.52 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 123.645 0.59 . . . . 1.13 110.951 -175.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' S' S ' 84' ' ' LYS . . . . . 0.405 ' HD3' ' HB3' ' S' ' 60' ' ' ASP . 13.4 pttm -80.74 -26.66 37.2 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 116.305 -0.407 . . . . 2.79 111.085 -178.182 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' S' S ' 85' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -129.19 151.11 50.22 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 116.295 -0.412 . . . . 1.85 110.741 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' S' S ' 86' ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -66.3 -31.93 73.03 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.933 -0.766 . . . . 4.59 108.933 172.35 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' S' S ' 87' ' ' ALA . . . . . 0.465 ' O ' ' HG3' ' S' ' 91' ' ' ARG . . . -61.78 -43.82 98.1 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.772 -0.649 . . . . 1.26 110.633 176.646 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' S' S ' 88' ' ' SER . . . . . . . . . . . . . 10.6 m -64.38 -35.08 79.73 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.091 0.472 . . . . 1.26 110.042 177.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' S' S ' 89' ' ' ALA . . . . . 0.622 ' HA ' HD12 ' S' ' 37' ' ' ILE . . . -67.41 -48.76 66.4 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.618 -0.719 . . . . 1.17 111.033 179.783 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' S' S ' 90' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -70.2 -23.14 62.9 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.808 -0.178 . . . . 1.85 111.048 -178.389 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' S' S ' 91' ' ' ARG . . . . . 0.465 ' HG3' ' O ' ' S' ' 87' ' ' ALA . 95.8 mtt180 -66.14 -39.05 89.56 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.017 0.437 . . . . 3.45 110.099 171.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' S' S ' 92' ' ' ALA . . . . . . . . . . . . . . . -74.29 -40.08 62.51 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.834 -0.621 . . . . 1.15 110.653 177.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' S' S ' 93' ' ' CYS . . . . . . . . . . . . . 73.8 m -73.43 -8.22 54.99 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.117 -0.492 . . . . 2.24 111.094 178.05 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' S' S ' 94' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -64.99 -24.32 67.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.06 0.457 . . . . 3.42 109.966 176.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' S' S ' 95' ' ' ASP . . . . . 0.434 ' HA ' ' HD3' ' S' ' 96' ' ' PRO . 36.6 t0 -109.72 99.12 36.67 Favored Pre-proline 0 C--N 1.328 -0.34 0 N-CA-C 108.561 -0.903 . . . . 2.13 108.561 172.708 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' S' S ' 96' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' S' ' 95' ' ' ASP . 11.4 Cg_exo -71.59 -21.95 25.01 Favored 'Trans proline' 0 C--O 1.234 0.312 0 C-N-CA 123.073 2.515 . . . . 1.08 113.398 -171.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' S' S ' 97' ' ' ASN . . . . . 0.687 ' HA ' ' O ' ' S' ' 105' ' ' ALA . 0.3 OUTLIER -152.51 67.89 6.87 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-O 120.759 0.314 . . . . 1.08 111.49 -175.801 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' S' S ' 98' ' ' PRO . . . . . 0.5 ' O ' ' HA ' ' S' ' 104' ' ' LYS . 92.4 Cg_endo -79.61 157.8 25.06 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.967 2.444 . . . . 0.76 112.667 -178.206 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' S' S ' 99' ' ' ILE . . . . . . . . . . . . . 43.1 mm -87.18 100.78 10.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.299 -0.41 . . . . 1.19 110.375 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' S' S ' 100' ' ' ILE . . . . . . . . . . . . . 48.1 mt -111.46 118.51 57.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 116.189 -0.459 . . . . 1.18 109.88 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' S' S ' 101' ' ' ASP . . . . . . . . . . . . . 37.6 t0 60.73 30.08 19.45 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 121.795 0.807 . . . . 1.4 110.476 177.379 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' S' S ' 102' ' ' GLY . . . . . . . . . . . . . . . 87.13 12.91 67.12 Favored Glycine 0 N--CA 1.45 -0.391 0 CA-C-N 115.584 -0.735 . . . . 0.93 113.33 177.159 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' S' S ' 103' ' ' ARG . . . . . . . . . . . . . 5.7 tpp180 -138.28 135.98 36.02 Favored 'General case' 0 C--N 1.322 -0.592 0 O-C-N 122.197 -0.59 . . . . 3.59 109.938 179.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' S' S ' 104' ' ' LYS . . . . . 0.513 ' HB2' ' HZ3' ' S' ' 104' ' ' LYS . 0.2 OUTLIER -77.1 109.58 11.06 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.665 0.745 . . . . 2.58 109.921 179.498 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' S' S ' 105' ' ' ALA . . . . . 0.687 ' O ' ' HA ' ' S' ' 97' ' ' ASN . . . -85.36 156.93 20.67 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.187 -0.915 . . . . 1.06 110.747 -176.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' S' S ' 106' ' ' ASN . . . . . 0.512 ' N ' HD21 ' S' ' 106' ' ' ASN . 0.8 OUTLIER -102.69 109.49 21.1 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 109.217 -0.66 . . . . 2.54 109.217 -179.489 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' S' S ' 107' ' ' VAL . . . . . . . . . . . . . 43.6 t -104.98 126.46 59.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.403 -0.362 . . . . 1.22 110.406 -177.49 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' S' S ' 108' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -164.81 161.85 20.65 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.316 -0.624 . . . . 1.76 109.316 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' S' S ' 109' ' ' LEU . . . . . . . . . . . . . 95.1 mt -77.77 134.91 37.95 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.001 0.429 . . . . 1.22 110.279 -179.456 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' S' S ' 110' ' ' ALA . . . . . . . . . . . . . . . -72.77 -14.43 61.54 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.895 0.702 . . . . 1.25 112.895 -171.257 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' S' S ' 111' ' ' TYR . . . . . . . . . . . . . 8.9 p90 . . . . . 0 CA--C 1.532 0.288 0 CA-C-O 120.821 0.343 . . . . 1.7 111.385 -175.754 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' S' S ' 33' ' ' MET . . . . . 0.585 ' HB3' ' HB3' ' S' ' 111' ' ' TYR . 46.7 mtm . . . . . 0 N--CA 1.457 -0.118 0 CA-C-O 120.923 0.392 . . . . 2.01 110.608 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' S' S ' 34' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -100.99 4.49 42.49 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.942 -0.572 . . . . 1.16 111.756 -174.113 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' S' S ' 35' ' ' THR . . . . . 0.501 ' O ' ' HA ' ' S' ' 82' ' ' THR . 15.7 p -124.77 -9.01 7.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.082 0.467 . . . . 1.22 110.872 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' S' S ' 36' ' ' LYS . . . . . . . . . . . . . 74.3 tttt -98.66 113.87 26.11 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.69 -0.686 . . . . 2.47 109.917 179.189 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' S' S ' 37' ' ' ILE . . . . . 0.487 HD12 ' HA ' ' S' ' 89' ' ' ALA . 41.8 mt -108.0 143.09 19.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 115.804 -0.635 . . . . 1.18 111.296 -175.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' S' S ' 38' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -102.84 122.94 45.54 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.3 -0.629 . . . . 0.57 109.3 176.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' S' S ' 39' ' ' VAL . . . . . 0.619 HG11 HG23 ' S' ' 107' ' ' VAL . 38.6 t -120.74 103.79 14.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.533 -0.303 . . . . 1.01 110.496 -179.363 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' S' S ' 40' ' ' GLY . . . . . . . . . . . . . . . -108.02 151.98 16.97 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.399 -0.905 . . . . 0.27 112.067 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' S' S ' 41' ' ' GLY . . . . . . . . . . . . . . . 104.28 37.14 2.94 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.576 -0.821 . . . . 0.49 111.863 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' S' S ' 42' ' ' LEU . . . . . 0.499 HD12 HD11 ' S' ' 51' ' ' LEU . 88.0 mt -105.9 130.07 23.6 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-O 120.643 0.258 . . . . 1.11 111.052 -177.722 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' S' S ' 43' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -56.12 162.81 6.89 Favored 'Trans proline' 0 CA--C 1.532 0.417 0 C-N-CA 123.164 2.576 . . . . 0.62 112.58 175.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' S' S ' 44' ' ' TYR . . . . . 0.66 ' HA ' ' HB3' ' S' ' 75' ' ' SER . 29.0 m-85 -62.87 -30.92 71.88 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.752 -0.658 . . . . 2.81 112.056 -173.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' S' S ' 45' ' ' HIS . . . . . . . . . . . . . 3.7 p80 -94.17 12.11 27.75 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.194 0.521 . . . . 3.13 111.395 -176.265 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' S' S ' 46' ' ' THR . . . . . . . . . . . . . 87.0 m -85.47 109.88 18.78 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.15 -0.685 . . . . 1.14 109.15 175.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' S' S ' 47' ' ' SER . . . . . . . . . . . . . 13.9 m -102.18 -176.63 3.17 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.189 -0.46 . . . . 0.68 111.018 -173.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' S' S ' 48' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -54.12 -44.75 71.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.667 -0.697 . . . . 1.29 110.361 177.154 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' S' S ' 49' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -58.71 -40.35 83.46 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.619 -0.719 . . . . 3.0 111.522 179.242 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' S' S ' 50' ' ' THR . . . . . . . . . . . . . 3.0 m -66.61 -48.35 69.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.832 0.349 . . . . 1.15 110.568 -178.196 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' S' S ' 51' ' ' LEU . . . . . 0.499 HD11 HD12 ' S' ' 42' ' ' LEU . 32.6 tp -62.2 -47.57 83.87 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-O 121.217 0.532 . . . . 1.23 110.504 178.518 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' S' S ' 52' ' ' HIS . . . . . . . . . . . . . 16.9 t-80 -60.22 -51.33 70.03 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.652 -0.703 . . . . 0.73 111.506 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' S' S ' 53' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -55.21 -49.84 70.94 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.597 0.237 . . . . 2.24 111.605 -176.2 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' S' S ' 54' ' ' TYR . . . . . . . . . . . . . 92.2 t80 -63.88 -41.77 97.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.492 -0.322 . . . . 1.2 111.613 -176.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' S' S ' 55' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -85.36 -22.2 28.54 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 112.537 0.569 . . . . 0.68 112.537 -173.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' S' S ' 56' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -68.81 -17.67 64.05 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.199 0.523 . . . . 1.47 109.89 178.267 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' S' S ' 57' ' ' GLN . . . . . . . . . . . . . 35.6 tp60 -58.8 -33.63 70.58 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.724 -0.671 . . . . 3.67 110.355 172.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' S' S ' 58' ' ' PHE . . . . . 0.404 ' HB3' ' CB ' ' S' ' 91' ' ' ARG . 52.4 m-85 -85.62 -29.97 23.64 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.173 -0.467 . . . . 0.71 110.665 -177.438 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' S' S ' 59' ' ' GLY . . . . . . . . . . . . . . . 172.55 165.85 30.22 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.994 -0.622 . . . . 0.51 112.749 178.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' S' S ' 60' ' ' ASP . . . . . 0.652 ' HB3' ' HD3' ' S' ' 84' ' ' LYS . 26.1 t70 -56.95 139.71 51.04 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.21 0.528 . . . . 1.99 111.548 178.425 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' S' S ' 61' ' ' ILE . . . . . 0.705 HG22 ' HB3' ' S' ' 64' ' ' ALA . 57.8 mt -118.21 145.44 24.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.593 -0.731 . . . . 1.13 110.394 -176.298 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' S' S ' 62' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -92.84 -53.84 4.0 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.991 0.424 . . . . 1.91 110.393 177.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' S' S ' 63' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -136.4 118.34 15.26 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.997 -0.547 . . . . 1.81 110.021 179.185 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' S' S ' 64' ' ' ALA . . . . . 0.705 ' HB3' HG22 ' S' ' 61' ' ' ILE . . . -135.74 100.49 4.48 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 110.001 -0.37 . . . . 1.14 110.001 177.457 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' S' S ' 65' ' ' VAL . . . . . . . . . . . . . 30.8 m -133.02 138.96 50.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 121.003 0.43 . . . . 1.07 110.912 -178.004 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' S' S ' 66' ' ' VAL . . . . . . . . . . . . . 61.7 t -88.64 122.9 40.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 108.356 -0.979 . . . . 1.07 108.356 173.446 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' S' S ' 67' ' ' ILE . . . . . . . . . . . . . 47.3 mm -68.24 131.34 33.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 120.924 0.392 . . . . 1.19 110.575 -172.028 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' S' S ' 68' ' ' THR . . . . . . . . . . . . . 21.5 p -104.32 150.8 24.14 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.842 -0.617 . . . . 1.27 111.283 -176.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' S' S ' 69' ' ' ASP . . . . . 0.472 ' O ' ' HA ' ' S' ' 73' ' ' GLN . 24.1 t70 -73.62 140.11 45.95 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.535 -0.757 . . . . 1.75 109.714 175.792 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' S' S ' 70' ' ' ARG . . . . . . . . . . . . . 28.3 mmm180 -76.59 -21.71 55.21 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 112.183 0.438 . . . . 4.77 112.183 -174.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' S' S ' 71' ' ' ASN . . . . . . . . . . . . . 22.7 m120 -94.81 -50.72 5.01 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 111.877 0.325 . . . . 2.82 111.877 -175.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' S' S ' 72' ' ' THR . . . . . . . . . . . . . 50.1 p -92.36 -22.68 19.55 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.455 -0.338 . . . . 2.27 111.331 -178.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' S' S ' 73' ' ' GLN . . . . . 0.472 ' HA ' ' O ' ' S' ' 69' ' ' ASP . 13.7 mm-40 65.42 31.04 10.61 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.039 -0.528 . . . . 2.59 111.933 -178.339 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' S' S ' 74' ' ' LYS . . . . . . . . . . . . . 34.2 mttp -103.12 173.73 6.17 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.009 -0.541 . . . . 3.24 109.79 170.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' S' S ' 75' ' ' SER . . . . . 0.66 ' HB3' ' HA ' ' S' ' 44' ' ' TYR . 41.4 t -65.84 140.82 58.41 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.043 0.449 . . . . 1.54 111.256 -178.633 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' S' S ' 76' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -70.95 -20.95 62.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.611 -0.722 . . . . 2.96 109.959 172.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' S' S ' 77' ' ' GLY . . . . . 0.455 ' HA2' ' O ' ' S' ' 42' ' ' LEU . . . 104.38 11.82 30.43 Favored Glycine 0 N--CA 1.444 -0.828 0 C-N-CA 120.699 -0.763 . . . . 0.63 111.898 -177.647 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' S' S ' 78' ' ' TYR . . . . . . . . . . . . . 29.7 p90 -157.92 158.11 34.38 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 120.741 0.305 . . . . 1.05 110.714 178.184 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' S' S ' 79' ' ' GLY . . . . . . . . . . . . . . . -139.0 165.78 25.57 Favored Glycine 0 N--CA 1.45 -0.369 0 CA-C-N 116.144 -0.48 . . . . 0.19 111.978 178.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' S' S ' 80' ' ' PHE . . . . . 0.445 ' O ' ' HA ' ' S' ' 64' ' ' ALA . 63.9 m-85 -114.43 136.07 53.41 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.666 0.269 . . . . 0.47 110.625 177.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' S' S ' 81' ' ' VAL . . . . . . . . . . . . . 25.9 t -124.81 113.73 37.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.292 -0.413 . . . . 1.11 110.541 177.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' S' S ' 82' ' ' THR . . . . . 0.501 ' HA ' ' O ' ' S' ' 35' ' ' THR . 11.2 m -109.5 109.27 20.03 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.844 -0.799 . . . . 1.09 108.844 176.081 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' S' S ' 83' ' ' MET . . . . . 0.528 ' HA ' ' HA ' ' S' ' 61' ' ' ILE . 5.1 mtp -94.62 172.29 8.27 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.354 -0.384 . . . . 1.13 110.605 -170.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' S' S ' 84' ' ' LYS . . . . . 0.652 ' HD3' ' HB3' ' S' ' 60' ' ' ASP . 22.2 pttm -66.0 -36.94 84.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.261 -0.427 . . . . 2.79 111.701 -177.478 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' S' S ' 85' ' ' ASP . . . . . 0.448 ' HB3' ' HG3' ' S' ' 84' ' ' LYS . 0.0 OUTLIER -144.25 164.04 31.9 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.019 0.438 . . . . 1.85 111.208 -172.631 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' S' S ' 86' ' ' ARG . . . . . 0.433 ' O ' ' HG3' ' S' ' 90' ' ' GLU . 67.5 mtm180 -72.31 -30.31 64.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.866 -0.606 . . . . 4.59 112.231 -175.469 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' S' S ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.85 -39.9 83.75 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.047 0.451 . . . . 1.26 110.005 -179.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' S' S ' 88' ' ' SER . . . . . . . . . . . . . 15.3 m -61.85 -38.24 87.49 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.75 -0.659 . . . . 1.26 109.69 174.181 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' S' S ' 89' ' ' ALA . . . . . 0.487 ' HA ' HD12 ' S' ' 37' ' ' ILE . . . -65.99 -38.91 89.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.621 -0.718 . . . . 1.17 111.384 -179.039 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' S' S ' 90' ' ' GLU . . . . . 0.575 ' HA ' ' SG ' ' S' ' 93' ' ' CYS . 44.0 mt-10 -70.01 -31.54 69.26 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.431 -0.35 . . . . 1.85 110.761 178.086 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' S' S ' 91' ' ' ARG . . . . . 0.404 ' CB ' ' HB3' ' S' ' 58' ' ' PHE . 86.3 mtt180 -62.2 -33.73 75.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.936 0.398 . . . . 3.45 110.26 172.466 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' S' S ' 92' ' ' ALA . . . . . . . . . . . . . . . -76.0 -39.77 55.09 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.811 -0.632 . . . . 1.15 111.409 -177.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' S' S ' 93' ' ' CYS . . . . . 0.575 ' SG ' ' HA ' ' S' ' 90' ' ' GLU . 12.3 p -94.69 8.85 41.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.983 0.42 . . . . 2.24 110.9 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' S' S ' 94' ' ' LYS . . . . . . . . . . . . . 4.4 tptm -58.03 -36.86 73.33 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.862 -0.608 . . . . 3.42 110.487 175.355 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' S' S ' 95' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -109.53 105.25 56.96 Favored Pre-proline 0 C--N 1.324 -0.529 0 N-CA-C 108.497 -0.927 . . . . 2.13 108.497 173.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' S' S ' 96' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -66.37 -18.01 54.6 Favored 'Trans proline' 0 N--CA 1.463 -0.286 0 C-N-CA 122.575 2.184 . . . . 1.08 112.342 -177.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' S' S ' 97' ' ' ASN . . . . . 0.522 ' HA ' ' O ' ' S' ' 105' ' ' ALA . 0.8 OUTLIER -133.34 70.76 77.03 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.241 -0.436 . . . . 1.08 110.607 -178.367 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' S' S ' 98' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -78.43 154.26 27.77 Favored 'Trans proline' 0 N--CA 1.461 -0.422 0 C-N-CA 122.992 2.462 . . . . 0.76 112.329 -178.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' S' S ' 99' ' ' ILE . . . . . . . . . . . . . 34.5 mm -95.71 95.9 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.008 -0.542 . . . . 1.19 110.139 178.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' S' S ' 100' ' ' ILE . . . . . . . . . . . . . 57.6 mt -106.54 114.71 46.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 116.063 -0.517 . . . . 1.18 110.382 -177.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' S' S ' 101' ' ' ASP . . . . . . . . . . . . . 32.6 t70 65.92 15.79 10.2 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 121.864 0.84 . . . . 1.4 110.605 177.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' S' S ' 102' ' ' GLY . . . . . . . . . . . . . . . 94.93 4.6 61.5 Favored Glycine 0 N--CA 1.447 -0.578 0 CA-C-N 115.653 -0.703 . . . . 0.93 112.231 -178.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' S' S ' 103' ' ' ARG . . . . . 0.433 ' HD2' ' HA ' ' S' ' 103' ' ' ARG . 18.1 tpt180 -113.78 136.09 53.23 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 110.117 -0.327 . . . . 3.59 110.117 178.316 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' S' S ' 104' ' ' LYS . . . . . 0.498 ' HD3' ' OD1' ' S' ' 97' ' ' ASN . 39.4 ttmt -75.0 121.93 22.74 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.645 -0.502 . . . . 2.58 109.645 175.295 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' S' S ' 105' ' ' ALA . . . . . 0.522 ' O ' ' HA ' ' S' ' 97' ' ' ASN . . . -109.16 165.13 11.84 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.103 -0.499 . . . . 1.06 111.195 -178.396 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' S' S ' 106' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -116.54 110.15 18.19 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.803 -0.635 . . . . 2.54 109.421 175.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' S' S ' 107' ' ' VAL . . . . . 0.619 HG23 HG11 ' S' ' 39' ' ' VAL . 61.9 t -107.08 127.4 62.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.071 -0.513 . . . . 1.22 110.308 -178.241 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' S' S ' 108' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -150.8 148.88 29.04 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.138 -0.483 . . . . 1.76 109.868 -178.402 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' S' S ' 109' ' ' LEU . . . . . 0.404 HD21 HG12 ' S' ' 37' ' ' ILE . 95.6 mt -66.95 137.79 56.79 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 110.214 -0.291 . . . . 1.22 110.214 178.508 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' S' S ' 110' ' ' ALA . . . . . . . . . . . . . . . -58.68 -37.11 75.34 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.755 0.65 . . . . 1.25 112.755 -172.007 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' S' S ' 111' ' ' TYR . . . . . 0.585 ' HB3' ' HB3' ' S' ' 33' ' ' MET . 8.4 p90 . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 120.675 0.274 . . . . 1.7 111.55 -173.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.773 0 N-CA-C 112.043 -0.423 . . . . 11.27 112.043 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' S' S ' 26' ' ' ALA . . . . . . . . . . . . . . . 65.91 87.35 0.12 Allowed 'General case' 0 C--O 1.234 0.264 0 C-N-CA 123.187 0.595 . . . . 9.73 111.971 177.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 27' ' ' MET . . . . . . . . . . . . . 14.1 ptp -136.54 112.31 9.48 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.787 -0.642 . . . . 10.2 110.465 177.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 28' ' ' GLY . . . . . . . . . . . . . . . -126.36 77.31 0.39 Allowed Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.892 -0.67 . . . . 6.05 111.952 178.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 29' ' ' SER . . . . . . . . . . . . . 59.4 m -153.73 151.75 29.97 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.845 -0.428 . . . . 4.57 109.845 178.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 30' ' ' ARG . . . . . . . . . . . . . 80.8 mtm180 -125.39 112.56 16.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.823 0.344 . . . . 7.76 110.324 179.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 31' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -81.47 -8.06 59.67 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.988 -0.551 . . . . 3.39 110.562 179.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 32' ' ' THR . . . . . . . . . . . . . 8.4 p -85.46 6.98 24.5 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.801 -0.636 . . . . 1.79 112.294 -177.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 63.2 mtm -67.51 -22.11 65.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.051 0.453 . . . . 2.01 111.119 -179.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 34' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -104.91 4.67 32.18 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.27 -0.423 . . . . 1.16 110.835 -178.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 35' ' ' THR . . . . . 0.438 ' O ' ' HA ' ' S' ' 82' ' ' THR . 43.5 p -124.06 -6.18 7.83 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.925 0.393 . . . . 1.22 110.693 -179.5 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 36' ' ' LYS . . . . . . . . . . . . . 45.9 tptt -88.98 97.23 11.08 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 115.767 -0.651 . . . . 2.47 110.233 -176.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 37' ' ' ILE . . . . . . . . . . . . . 64.8 mt -85.71 127.25 40.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 116.114 -0.493 . . . . 1.18 111.004 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 38' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -96.81 117.82 31.9 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.714 -0.676 . . . . 0.57 109.548 175.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 39' ' ' VAL . . . . . . . . . . . . . 21.5 t -112.88 101.39 12.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.32 -0.4 . . . . 1.01 110.197 179.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 40' ' ' GLY . . . . . . . . . . . . . . . -101.68 152.56 18.72 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.886 -0.673 . . . . 0.27 112.317 -179.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 41' ' ' GLY . . . . . . . . . . . . . . . 95.06 33.45 6.59 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.812 -0.709 . . . . 0.49 111.931 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 42' ' ' LEU . . . . . 0.43 ' O ' ' HA2' ' S' ' 77' ' ' GLY . 68.8 mt -100.13 132.9 21.99 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-O 120.752 0.31 . . . . 1.11 110.88 -178.072 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 43' ' ' PRO . . . . . 0.451 ' HD2' ' OG1' ' S' ' 46' ' ' THR . 31.4 Cg_exo -61.4 165.06 13.78 Favored 'Trans proline' 0 CA--C 1.532 0.381 0 C-N-CA 122.951 2.434 . . . . 0.62 112.472 176.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 44' ' ' TYR . . . . . 0.66 ' HA ' ' HB2' ' S' ' 75' ' ' SER . 8.7 m-85 -78.27 -0.5 28.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.861 -0.609 . . . . 2.81 111.878 -170.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 45' ' ' HIS . . . . . . . . . . . . . 7.3 p80 -114.78 0.65 13.89 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.946 0.403 . . . . 3.13 110.707 -179.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 46' ' ' THR . . . . . 0.451 ' OG1' ' HD2' ' S' ' 43' ' ' PRO . 55.2 m -77.54 118.1 19.63 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 109.361 -0.607 . . . . 1.14 109.361 178.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 47' ' ' SER . . . . . 0.502 ' HB2' ' HG2' ' S' ' 49' ' ' LYS . 5.6 m -97.49 174.57 6.6 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.084 0.469 . . . . 0.68 111.281 -174.227 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 48' ' ' ASP . . . . . 0.469 ' HB2' ' O ' ' S' ' 64' ' ' ALA . 17.9 p-10 -58.57 -42.71 88.62 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.172 -0.922 . . . . 1.29 109.943 175.609 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 49' ' ' LYS . . . . . 0.502 ' HG2' ' HB2' ' S' ' 47' ' ' SER . 23.5 pttm -62.86 -34.4 77.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.644 -0.707 . . . . 3.0 111.337 178.628 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 50' ' ' THR . . . . . . . . . . . . . 4.7 m -67.37 -47.11 71.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.178 0.513 . . . . 1.15 109.794 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 51' ' ' LEU . . . . . . . . . . . . . 15.8 tp -66.19 -40.04 90.13 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.421 -0.809 . . . . 1.23 110.219 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 52' ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -61.32 -51.14 70.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.571 -0.74 . . . . 0.73 110.815 178.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 53' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -50.32 -42.7 53.11 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.656 -0.702 . . . . 2.24 111.451 179.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 54' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -74.05 -42.31 60.44 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.122 0.416 . . . . 1.2 112.122 -176.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 55' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -85.67 -20.89 28.73 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 113.636 0.976 . . . . 0.68 113.636 -170.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 56' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -64.89 -15.97 62.66 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 120.619 -0.432 . . . . 1.47 110.913 -179.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 57' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -59.87 -25.38 65.01 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 115.857 -0.611 . . . . 3.67 110.865 174.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 58' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -96.85 -15.37 21.28 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.037 0.384 . . . . 0.71 112.037 -173.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 59' ' ' GLY . . . . . . . . . . . . . . . 155.09 -173.24 33.39 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.305 -0.95 . . . . 0.51 113.057 178.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 60' ' ' ASP . . . . . 0.687 ' HB2' ' HG2' ' S' ' 84' ' ' LYS . 2.0 m-20 -65.78 128.84 37.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.801 0.334 . . . . 1.99 110.442 -179.058 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 61' ' ' ILE . . . . . 0.577 HG22 ' HB3' ' S' ' 64' ' ' ALA . 58.3 mt -102.17 121.93 53.8 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 CA-C-N 116.036 -0.529 . . . . 1.13 110.35 177.251 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 62' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -73.01 -52.87 12.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.553 0.692 . . . . 1.91 109.574 176.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.81 137.88 33.64 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.873 -1.058 . . . . 1.81 109.75 -176.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 64' ' ' ALA . . . . . 0.577 ' HB3' HG22 ' S' ' 61' ' ' ILE . . . -146.31 103.98 3.75 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 110.031 -0.359 . . . . 1.14 110.031 177.244 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 65' ' ' VAL . . . . . . . . . . . . . 33.3 m -137.64 137.91 44.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.233 0.54 . . . . 1.07 111.277 -179.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 66' ' ' VAL . . . . . . . . . . . . . 73.5 t -93.63 118.12 38.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 107.974 -1.121 . . . . 1.07 107.974 169.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 67' ' ' ILE . . . . . . . . . . . . . 49.4 mm -68.54 119.22 13.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.085 0.469 . . . . 1.19 110.902 -171.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 68' ' ' THR . . . . . . . . . . . . . 68.8 p -99.26 147.91 24.68 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.508 -0.769 . . . . 1.27 110.78 -178.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 69' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -65.66 126.0 27.03 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.419 -0.956 . . . . 1.75 108.419 171.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 70' ' ' ARG . . . . . . . . . . . . . 16.7 mmm180 -75.02 -10.43 59.47 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 113.327 0.862 . . . . 4.77 113.327 -171.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 71' ' ' ASN . . . . . 0.57 HD21 HG21 ' S' ' 72' ' ' THR . 8.1 t30 -95.1 -49.3 5.58 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.566 -0.454 . . . . 2.82 110.582 177.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 72' ' ' THR . . . . . 0.57 HG21 HD21 ' S' ' 71' ' ' ASN . 32.2 p -97.52 -15.99 20.3 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 112.16 0.429 . . . . 2.27 112.16 -174.436 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 73' ' ' GLN . . . . . 0.418 ' HA ' ' NE2' ' S' ' 73' ' ' GLN . 11.3 mm-40 62.19 36.92 14.66 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.039 -0.528 . . . . 2.59 112.416 179.588 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 74' ' ' LYS . . . . . . . . . . . . . 22.5 pttm -108.0 146.64 32.21 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.348 -0.612 . . . . 3.24 109.348 172.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 75' ' ' SER . . . . . 0.66 ' HB2' ' HA ' ' S' ' 44' ' ' TYR . 16.5 m -60.77 136.62 58.13 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 123.079 0.237 . . . . 1.54 110.366 177.67 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 76' ' ' ARG . . . . . . . . . . . . . 58.1 mtp180 -82.96 6.0 20.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.818 0.342 . . . . 2.96 111.08 -177.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 77' ' ' GLY . . . . . 0.43 ' HA2' ' O ' ' S' ' 42' ' ' LEU . . . 99.76 12.45 40.6 Favored Glycine 0 C--N 1.331 0.251 0 C-N-CA 121.028 -0.606 . . . . 0.63 113.582 173.777 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 78' ' ' TYR . . . . . . . . . . . . . 41.9 p90 -157.85 158.55 35.35 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.929 0.364 . . . . 1.05 110.934 -179.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 79' ' ' GLY . . . . . . . . . . . . . . . -139.42 162.4 26.12 Favored Glycine 0 N--CA 1.445 -0.71 0 N-CA-C 111.172 -0.771 . . . . 0.19 111.172 175.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 80' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -120.85 136.69 54.86 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.887 0.344 . . . . 0.47 110.97 -179.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 81' ' ' VAL . . . . . . . . . . . . . 46.9 t -124.51 115.86 45.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.911 -0.586 . . . . 1.11 110.359 177.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 82' ' ' THR . . . . . 0.438 ' HA ' ' O ' ' S' ' 35' ' ' THR . 28.1 m -96.65 108.72 21.39 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 109.773 -0.454 . . . . 1.09 109.773 176.23 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 83' ' ' MET . . . . . 0.605 ' HG3' ' HA ' ' S' ' 89' ' ' ALA . 91.6 mmm -80.79 161.58 24.43 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.353 -0.385 . . . . 1.13 110.379 -179.785 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 84' ' ' LYS . . . . . 0.687 ' HG2' ' HB2' ' S' ' 60' ' ' ASP . 0.0 OUTLIER -68.71 -21.37 64.41 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.828 0.307 . . . . 2.79 111.828 -178.366 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' S' S ' 85' ' ' ASP . . . . . 0.448 ' CB ' ' HD2' ' S' ' 84' ' ' LYS . 23.4 t70 -156.5 162.06 39.98 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.411 -0.359 . . . . 1.85 110.41 -178.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 86' ' ' ARG . . . . . 0.529 ' CD ' ' H ' ' S' ' 86' ' ' ARG . 0.0 OUTLIER -67.68 -29.52 68.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.015 -0.539 . . . . 4.59 111.671 -178.65 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' S' S ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.75 -38.66 87.06 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.251 0.548 . . . . 1.26 110.27 178.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 88' ' ' SER . . . . . . . . . . . . . 4.3 m -69.58 -40.33 76.78 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.677 -0.692 . . . . 1.26 110.311 175.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 89' ' ' ALA . . . . . 0.605 ' HA ' ' HG3' ' S' ' 83' ' ' MET . . . -60.31 -48.58 81.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.747 -0.66 . . . . 1.17 111.334 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 90' ' ' GLU . . . . . 0.564 ' O ' ' HG2' ' S' ' 94' ' ' LYS . 4.1 pt-20 -72.18 -21.73 61.39 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.628 -0.429 . . . . 1.85 111.028 -179.264 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 91' ' ' ARG . . . . . . . . . . . . . 76.4 ttt180 -63.8 -37.88 89.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.102 0.477 . . . . 3.45 109.788 174.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 92' ' ' ALA . . . . . . . . . . . . . . . -77.2 -27.11 53.41 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.831 -0.622 . . . . 1.15 110.186 176.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 93' ' ' CYS . . . . . . . . . . . . . 17.8 t -83.78 -2.82 57.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.754 -0.657 . . . . 2.24 110.629 -179.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 94' ' ' LYS . . . . . 0.564 ' HG2' ' O ' ' S' ' 90' ' ' GLU . 37.7 mmtm -60.94 -31.1 70.66 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.204 -0.453 . . . . 3.42 110.809 175.442 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 95' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -115.46 95.02 41.85 Favored Pre-proline 0 C--N 1.329 -0.32 0 N-CA-C 109.33 -0.619 . . . . 2.13 109.33 175.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 96' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -65.27 -32.64 50.93 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.851 2.368 . . . . 1.08 113.45 -171.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 97' ' ' ASN . . . . . 0.452 ' HB3' ' HZ1' ' S' ' 104' ' ' LYS . 10.4 m120 -126.82 83.91 64.36 Favored Pre-proline 0 C--N 1.321 -0.635 0 CA-C-O 120.804 0.335 . . . . 1.08 111.276 -177.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 98' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -88.65 157.87 6.33 Favored 'Trans proline' 0 N--CA 1.452 -0.953 0 C-N-CA 122.656 2.237 . . . . 0.76 111.896 176.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 99' ' ' ILE . . . . . . . . . . . . . 49.8 mm -95.95 100.71 11.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-O 121.145 0.498 . . . . 1.19 110.18 179.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 100' ' ' ILE . . . . . . . . . . . . . 54.9 mt -108.76 119.74 58.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.677 -0.692 . . . . 1.18 109.813 -179.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 101' ' ' ASP . . . . . 0.436 ' OD2' ' HG2' ' S' ' 43' ' ' PRO . 39.1 t70 67.17 16.03 10.15 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 121.998 0.904 . . . . 1.4 110.23 177.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 102' ' ' GLY . . . . . . . . . . . . . . . 89.08 6.15 72.12 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.734 -0.746 . . . . 0.93 111.672 -177.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 103' ' ' ARG . . . . . . . . . . . . . 6.5 tpp180 -107.02 136.17 47.34 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.68 -0.489 . . . . 3.59 109.68 -179.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 104' ' ' LYS . . . . . 0.452 ' HZ1' ' HB3' ' S' ' 97' ' ' ASN . 58.1 tttm -76.41 97.69 4.35 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.295 -0.632 . . . . 2.58 109.295 177.265 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 105' ' ' ALA . . . . . 0.421 ' O ' ' HA ' ' S' ' 97' ' ' ASN . . . -87.43 164.08 16.39 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.095 -0.502 . . . . 1.06 111.363 -173.759 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 106' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -121.07 110.64 16.48 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.952 -0.567 . . . . 2.54 109.754 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 107' ' ' VAL . . . . . . . . . . . . . 76.7 t -107.48 125.68 63.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.209 -0.45 . . . . 1.22 110.417 -178.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 108' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -169.52 148.12 3.7 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.179 -0.464 . . . . 1.76 109.978 -178.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 109' ' ' LEU . . . . . . . . . . . . . 95.4 mt -62.9 132.98 53.92 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.844 0.354 . . . . 1.22 110.955 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.59 -29.75 68.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.077 -0.51 . . . . 1.25 111.965 -176.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 111' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -77.1 -27.6 54.2 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.605 -0.27 . . . . 1.7 110.821 -178.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 112' ' ' LEU . . . . . . . . . . . . . 81.4 mt -69.06 -42.41 76.31 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.855 0.359 . . . . 1.6 110.732 179.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 113' ' ' GLY . . . . . . . . . . . . . . . 161.65 86.94 0.06 OUTLIER Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.654 -0.784 . . . . 2.01 112.024 -179.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 114' ' ' ALA . . . . . . . . . . . . . . . -79.13 120.52 23.77 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.791 0.329 . . . . 1.7 110.427 178.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 115' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -111.36 99.43 43.9 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 115.934 -0.575 . . . . 5.63 109.861 179.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 116' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -74.98 -173.3 1.52 Allowed 'Trans proline' 0 CA--C 1.532 0.401 0 C-N-CA 122.969 2.446 . . . . 3.16 112.656 -178.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 117' ' ' ARG . . . . . 0.461 ' C ' ' H ' ' S' ' 119' ' ' ASN . 7.3 ptm180 -54.76 152.88 6.61 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.749 -0.66 . . . . 5.14 111.441 177.803 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 118' ' ' THR . . . . . . . . . . . . . 11.3 t -75.28 33.1 0.1 Allowed 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 121.702 0.763 . . . . 6.65 111.544 -177.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 119' ' ' ASN . . . . . 0.461 ' H ' ' C ' ' S' ' 117' ' ' ARG . 4.1 t-20 -164.69 81.98 0.38 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.678 -0.692 . . . . 7.34 109.432 179.523 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 120' ' ' VAL . . . . . . . . . . . . . 48.0 t -99.64 -34.82 4.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.799 -0.637 . . . . 9.17 109.49 176.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 121' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.078 0 CA-C-N 115.093 -0.958 . . . . 11.88 109.321 178.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.774 0 N-CA-C 112.02 -0.432 . . . . 11.27 112.02 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' S' S ' 26' ' ' ALA . . . . . . . . . . . . . . . 63.17 17.4 10.15 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 123.077 0.551 . . . . 9.73 112.262 178.392 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 27' ' ' MET . . . . . . . . . . . . . 27.0 ptm -97.1 -14.85 21.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.065 0.46 . . . . 10.2 110.551 -179.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 28' ' ' GLY . . . . . . . . . . . . . . . -169.31 76.14 0.11 Allowed Glycine 0 N--CA 1.448 -0.56 0 CA-C-N 115.635 -0.712 . . . . 6.05 111.751 -179.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 29' ' ' SER . . . . . . . . . . . . . 30.1 m -150.24 -56.98 0.18 Allowed 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.201 -0.666 . . . . 4.57 109.201 178.012 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 30' ' ' ARG . . . . . . . . . . . . . 62.6 mtm180 -126.14 155.09 42.24 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.348 -0.842 . . . . 7.76 109.035 173.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 31' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -81.67 94.36 6.94 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.618 -0.512 . . . . 3.39 109.618 174.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 32' ' ' THR . . . . . 0.569 HG23 HG22 ' S' ' 82' ' ' THR . 24.3 p -126.19 15.7 7.83 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.909 -0.587 . . . . 1.79 111.295 -177.408 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 15.4 tpt -75.27 -56.52 4.63 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.655 -0.418 . . . . 2.01 111.223 -176.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 34' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -109.04 16.76 22.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.956 0.408 . . . . 1.16 110.868 -177.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 35' ' ' THR . . . . . 0.515 ' O ' ' HA ' ' S' ' 82' ' ' THR . 14.8 p -117.28 -3.95 11.42 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.14 -0.482 . . . . 1.22 110.72 -177.008 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 36' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -94.92 104.18 16.06 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.73 -0.668 . . . . 2.47 110.917 -174.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 37' ' ' ILE . . . . . 0.469 ' CG2' HG11 ' S' ' 107' ' ' VAL . 70.9 mt -93.42 136.82 24.11 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 115.232 -0.895 . . . . 1.18 110.885 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 38' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -101.12 122.86 44.35 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.047 -0.524 . . . . 0.57 109.601 175.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 39' ' ' VAL . . . . . 0.452 HG22 HD12 ' S' ' 51' ' ' LEU . 22.0 t -119.21 105.93 18.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 110.115 -0.328 . . . . 1.01 110.115 178.21 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 40' ' ' GLY . . . . . . . . . . . . . . . -104.57 152.88 17.52 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.607 -0.806 . . . . 0.27 112.592 -178.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 41' ' ' GLY . . . . . . . . . . . . . . . 99.6 33.12 5.45 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.949 -0.643 . . . . 0.49 112.338 178.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 42' ' ' LEU . . . . . 0.594 ' O ' ' HA2' ' S' ' 77' ' ' GLY . 83.0 mt -103.66 133.79 20.09 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-O 120.995 0.426 . . . . 1.11 111.561 -176.16 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 43' ' ' PRO . . . . . 0.658 ' HG3' ' HG3' ' S' ' 103' ' ' ARG . 22.7 Cg_exo -65.12 173.81 5.62 Favored 'Trans proline' 0 CA--C 1.532 0.388 0 C-N-CA 123.022 2.481 . . . . 0.62 112.671 176.647 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 44' ' ' TYR . . . . . 0.439 ' HA ' ' HB2' ' S' ' 75' ' ' SER . 7.1 m-85 -78.6 -8.51 58.69 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.129 -0.487 . . . . 2.81 111.756 -172.539 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 45' ' ' HIS . . . . . . . . . . . . . 27.0 p80 -101.73 -4.97 25.54 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.898 -0.321 . . . . 3.13 110.717 -178.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 46' ' ' THR . . . . . 0.506 ' OG1' ' HD2' ' S' ' 43' ' ' PRO . 89.0 m -73.07 113.17 9.81 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-O 121.064 0.459 . . . . 1.14 109.865 179.516 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 47' ' ' SER . . . . . . . . . . . . . 14.0 m -104.43 -175.52 2.82 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.518 -0.764 . . . . 0.68 110.806 -174.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 48' ' ' ASP . . . . . . . . . . . . . 17.7 p-10 -63.66 -38.41 91.01 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.674 -0.694 . . . . 1.29 110.627 -179.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 49' ' ' LYS . . . . . 0.41 ' HG3' ' N ' ' S' ' 50' ' ' THR . 11.1 ptmt -64.33 -34.32 77.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 3.0 111.335 177.532 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 50' ' ' THR . . . . . 0.41 ' N ' ' HG3' ' S' ' 49' ' ' LYS . 1.0 OUTLIER -68.13 -54.32 18.86 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.016 0.436 . . . . 1.15 110.55 -175.923 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' S' S ' 51' ' ' LEU . . . . . 0.452 HD12 HG22 ' S' ' 39' ' ' VAL . 16.8 tp -59.98 -40.0 87.64 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.728 -0.669 . . . . 1.23 110.457 177.47 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 52' ' ' HIS . . . . . . . . . . . . . 49.3 t-80 -60.0 -52.76 64.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.6 -0.727 . . . . 0.73 111.058 179.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 53' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -57.03 -44.15 82.59 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.123 -0.49 . . . . 2.24 111.986 -175.323 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 54' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -68.51 -37.77 80.34 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.879 -0.329 . . . . 1.2 111.32 -176.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 55' ' ' PHE . . . . . 0.425 ' HA ' ' HD2' ' S' ' 58' ' ' PHE . 24.1 m-85 -83.62 -19.56 35.24 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.047 0.388 . . . . 0.68 112.047 -177.729 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 56' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -56.68 -24.32 48.11 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.228 0.537 . . . . 1.47 110.794 178.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 57' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -63.61 -24.72 67.91 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.599 0.714 . . . . 3.67 111.171 178.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 58' ' ' PHE . . . . . 0.464 ' O ' ' HD3' ' S' ' 91' ' ' ARG . 29.7 m-85 -105.31 0.6 27.21 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 115.02 -0.991 . . . . 0.71 111.679 -171.674 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 59' ' ' GLY . . . . . . . . . . . . . . . 140.83 -178.17 20.3 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.129 -1.034 . . . . 0.51 113.167 174.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 60' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -70.77 146.47 49.76 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 122.777 0.431 . . . . 1.99 110.908 179.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 61' ' ' ILE . . . . . 0.456 ' HA ' ' HA ' ' S' ' 83' ' ' MET . 74.4 mt -122.24 134.88 64.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.146 -0.479 . . . . 1.13 111.18 -175.582 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 62' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -78.07 -57.11 3.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.098 0.475 . . . . 1.91 110.564 176.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 63' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -152.57 116.66 4.89 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.955 -0.566 . . . . 1.81 110.331 -174.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 64' ' ' ALA . . . . . . . . . . . . . . . -124.65 104.05 8.47 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.445 -0.343 . . . . 1.14 110.426 178.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 65' ' ' VAL . . . . . . . . . . . . . 34.9 m -125.24 136.11 61.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.243 0.544 . . . . 1.07 111.283 -178.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 66' ' ' VAL . . . . . . . . . . . . . 59.7 t -89.58 118.57 35.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 N-CA-C 108.467 -0.938 . . . . 1.07 108.467 172.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 67' ' ' ILE . . . . . . . . . . . . . 49.2 mm -68.59 122.89 20.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.15 0.5 . . . . 1.19 110.974 -172.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 68' ' ' THR . . . . . . . . . . . . . 14.8 p -106.13 157.27 17.68 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.628 -0.715 . . . . 1.27 111.048 -178.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 69' ' ' ASP . . . . . 0.407 ' O ' ' HA ' ' S' ' 73' ' ' GLN . 23.7 t70 -79.71 148.61 31.48 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.827 -0.624 . . . . 1.75 109.353 175.514 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 70' ' ' ARG . . . . . . . . . . . . . 49.2 mtp180 -76.69 -33.46 58.24 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 120.776 -0.37 . . . . 4.77 111.47 -175.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 71' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -79.14 -48.92 13.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.255 0.55 . . . . 2.82 110.545 -175.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 72' ' ' THR . . . . . . . . . . . . . 34.6 p -91.56 -25.99 18.96 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.786 -0.643 . . . . 2.27 112.114 -175.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 73' ' ' GLN . . . . . 0.407 ' HA ' ' O ' ' S' ' 69' ' ' ASP . 14.4 mm-40 64.3 21.18 12.44 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 116.051 -0.522 . . . . 2.59 111.289 -176.705 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 74' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -101.67 153.92 19.34 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.036 -0.529 . . . . 3.24 110.031 174.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 75' ' ' SER . . . . . 0.439 ' HB2' ' HA ' ' S' ' 44' ' ' TYR . 10.5 m -59.19 137.48 57.95 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.028 -0.533 . . . . 1.54 110.886 -179.708 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 76' ' ' ARG . . . . . . . . . . . . . 63.6 mtp180 -81.21 7.45 11.24 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.382 -0.372 . . . . 2.96 111.0 -179.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 77' ' ' GLY . . . . . 0.594 ' HA2' ' O ' ' S' ' 42' ' ' LEU . . . 99.36 16.49 29.5 Favored Glycine 0 N--CA 1.451 -0.358 0 CA-C-N 115.995 -0.548 . . . . 0.63 113.352 174.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 78' ' ' TYR . . . . . . . . . . . . . 40.6 p90 -164.34 162.18 22.16 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.686 0.279 . . . . 1.05 110.7 -179.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 79' ' ' GLY . . . . . . . . . . . . . . . -143.61 164.78 27.33 Favored Glycine 0 N--CA 1.445 -0.706 0 N-CA-C 111.064 -0.814 . . . . 0.19 111.064 176.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 80' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -119.91 135.82 54.75 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.836 0.35 . . . . 0.47 110.994 -179.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 81' ' ' VAL . . . . . 0.433 ' HB ' ' HB ' ' S' ' 37' ' ' ILE . 19.1 t -118.2 111.58 34.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.047 -0.524 . . . . 1.11 110.459 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 82' ' ' THR . . . . . 0.569 HG22 HG23 ' S' ' 32' ' ' THR . 31.1 m -97.65 103.37 15.3 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 108.36 -0.978 . . . . 1.09 108.36 172.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 83' ' ' MET . . . . . 0.552 ' SD ' ' HA ' ' S' ' 89' ' ' ALA . 57.1 mtp -86.78 168.57 13.37 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 120.925 -0.31 . . . . 1.13 110.572 -175.74 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.8 -53.04 57.93 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 123.857 0.723 . . . . 2.79 111.993 -178.052 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 85' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -136.3 161.89 34.52 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.27 -0.423 . . . . 1.85 110.064 -177.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 86' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -60.97 -32.95 72.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.455 -0.339 . . . . 4.59 110.822 178.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.25 -40.49 96.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.925 0.393 . . . . 1.26 110.289 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 88' ' ' SER . . . . . . . . . . . . . 2.3 m -64.95 -50.19 67.38 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.38 -0.6 . . . . 1.26 109.38 175.321 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 89' ' ' ALA . . . . . 0.552 ' HA ' ' SD ' ' S' ' 83' ' ' MET . . . -51.74 -50.28 60.91 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 114.993 -1.003 . . . . 1.17 112.342 177.674 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 90' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -69.01 -29.85 68.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.957 0.408 . . . . 1.85 110.955 -178.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 91' ' ' ARG . . . . . 0.464 ' HD3' ' O ' ' S' ' 58' ' ' PHE . 63.2 ttt180 -61.45 -26.83 68.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.97 -0.559 . . . . 3.45 109.791 174.405 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 92' ' ' ALA . . . . . . . . . . . . . . . -86.41 -32.32 20.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.865 -0.607 . . . . 1.15 110.497 174.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 93' ' ' CYS . . . . . . . . . . . . . 47.0 t -74.15 -4.68 37.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.697 -0.683 . . . . 2.24 111.57 -178.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 94' ' ' LYS . . . . . . . . . . . . . 27.5 mmtp -56.77 -40.95 76.77 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.59 -0.277 . . . . 3.42 111.085 174.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 95' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -103.73 100.58 20.2 Favored Pre-proline 0 C--N 1.328 -0.348 0 N-CA-C 109.899 -0.408 . . . . 2.13 109.899 176.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 96' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -68.99 -27.74 29.8 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.92 2.413 . . . . 1.08 113.129 -175.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 97' ' ' ASN . . . . . . . . . . . . . 21.6 m120 -129.17 92.32 39.52 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-O 120.98 0.419 . . . . 1.08 111.35 179.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 98' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -84.72 149.75 11.24 Favored 'Trans proline' 0 N--CA 1.452 -0.932 0 C-N-CA 123.101 2.534 . . . . 0.76 112.058 175.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 99' ' ' ILE . . . . . . . . . . . . . 49.5 mm -95.61 91.78 3.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 121.184 0.516 . . . . 1.19 109.769 177.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 100' ' ' ILE . . . . . . . . . . . . . 60.5 mt -101.67 118.67 48.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.92 -0.582 . . . . 1.18 110.159 -178.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 101' ' ' ASP . . . . . . . . . . . . . 37.6 t70 66.43 16.68 10.49 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 121.857 0.837 . . . . 1.4 110.39 -179.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 102' ' ' GLY . . . . . . . . . . . . . . . 86.75 -2.3 87.2 Favored Glycine 0 N--CA 1.45 -0.394 0 CA-C-N 115.729 -0.669 . . . . 0.93 111.62 -177.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 103' ' ' ARG . . . . . 0.658 ' HG3' ' HG3' ' S' ' 43' ' ' PRO . 18.9 mmt180 -93.6 139.09 31.17 Favored 'General case' 0 N--CA 1.444 -0.747 0 N-CA-C 109.511 -0.551 . . . . 3.59 109.511 -179.643 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 104' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -78.8 99.7 6.81 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.164 0.506 . . . . 2.58 110.07 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 105' ' ' ALA . . . . . . . . . . . . . . . -88.73 166.62 13.93 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.419 -0.81 . . . . 1.06 110.285 -178.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 106' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -133.49 123.7 25.7 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.176 -0.466 . . . . 2.54 109.791 177.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 107' ' ' VAL . . . . . 0.469 HG11 ' CG2' ' S' ' 37' ' ' ILE . 79.0 t -109.34 127.21 66.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.264 -0.88 . . . . 1.22 110.208 -179.275 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 108' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -149.68 173.58 13.52 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.034 -0.728 . . . . 1.76 109.034 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 109' ' ' LEU . . . . . 0.44 HD11 ' HE2' ' S' ' 111' ' ' TYR . 97.8 mt -93.36 124.03 37.07 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.861 -0.422 . . . . 1.22 109.861 178.598 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.99 -30.34 70.88 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.906 0.706 . . . . 1.25 112.906 -169.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 111' ' ' TYR . . . . . 0.44 ' HE2' HD11 ' S' ' 109' ' ' LEU . 15.9 p90 -68.88 -13.56 62.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.619 0.247 . . . . 1.7 111.37 -175.765 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 112' ' ' LEU . . . . . . . . . . . . . 96.6 mt -81.19 -12.07 59.27 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.543 -0.298 . . . . 1.6 110.853 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 113' ' ' GLY . . . . . . . . . . . . . . . 115.23 77.97 0.74 Allowed Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.749 -0.739 . . . . 2.01 112.09 -178.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 114' ' ' ALA . . . . . . . . . . . . . . . -83.01 122.49 28.37 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.868 0.366 . . . . 1.7 110.889 -179.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 115' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -95.75 114.53 64.21 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 116.247 -0.433 . . . . 5.63 110.112 177.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 116' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -73.64 178.38 6.82 Favored 'Trans proline' 0 N--CA 1.46 -0.443 0 C-N-CA 122.68 2.253 . . . . 3.16 112.34 177.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 117' ' ' ARG . . . . . . . . . . . . . 37.5 ttt180 -64.37 -47.54 78.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.05 -0.523 . . . . 5.14 111.04 -178.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 118' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -106.64 96.84 6.74 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.894 0.378 . . . . 6.65 110.962 -177.469 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 119' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -118.84 96.26 5.18 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.224 -0.658 . . . . 7.34 109.224 177.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 120' ' ' VAL . . . . . . . . . . . . . 11.7 t -130.03 55.87 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.836 -0.62 . . . . 9.17 110.187 -176.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 121' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 . . . . . 0 C--O 1.25 1.13 0 CA-C-O 118.352 -0.833 . . . . 11.88 109.188 178.788 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' S' S ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.042 0 CA-C-O 120.158 -0.246 . . . . 11.27 112.858 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' S' S ' 26' ' ' ALA . . . . . . . . . . . . . . . 57.82 -97.77 0.08 Allowed 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 123.132 0.573 . . . . 9.73 111.99 179.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 27' ' ' MET . . . . . . . . . . . . . 72.2 mtm -127.32 64.89 1.32 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.404 0.621 . . . . 10.2 109.824 177.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 28' ' ' GLY . . . . . . . . . . . . . . . -163.89 147.18 12.46 Favored Glycine 0 N--CA 1.442 -0.9 0 N-CA-C 110.529 -1.028 . . . . 6.05 110.529 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 29' ' ' SER . . . . . . . . . . . . . 24.0 m -61.59 -71.13 0.16 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.739 0.27 . . . . 4.57 111.291 -176.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 30' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' S' ' 30' ' ' ARG . 14.4 ptt180 -127.01 132.15 50.83 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.651 -0.42 . . . . 7.76 111.638 -179.265 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 31' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -105.0 118.03 35.49 Favored 'General case' 0 CA--C 1.51 -0.573 0 N-CA-C 108.979 -0.749 . . . . 3.39 108.979 164.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 32' ' ' THR . . . . . 0.467 HG23 ' HD2' ' S' ' 36' ' ' LYS . 0.2 OUTLIER -118.54 12.25 13.14 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 109.306 -0.627 . . . . 1.79 109.306 178.239 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 87.8 mtp -83.9 -56.63 3.58 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.591 -0.731 . . . . 2.01 110.932 -177.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 34' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -97.16 4.69 51.06 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.148 -0.478 . . . . 1.16 111.624 -171.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 35' ' ' THR . . . . . . . . . . . . . 20.8 p -114.06 -18.09 11.78 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.444 -0.344 . . . . 1.22 111.584 -178.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 36' ' ' LYS . . . . . 0.467 ' HD2' HG23 ' S' ' 32' ' ' THR . 34.2 tttp -97.42 110.71 23.21 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.168 0.509 . . . . 2.47 110.709 -175.456 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 37' ' ' ILE . . . . . 0.466 ' CG2' HG11 ' S' ' 107' ' ' VAL . 74.1 mt -98.06 136.04 30.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.335 -0.848 . . . . 1.18 110.901 -178.197 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 38' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -100.39 128.35 46.48 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.936 -0.574 . . . . 0.57 109.461 175.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 39' ' ' VAL . . . . . . . . . . . . . 31.9 t -119.41 104.03 15.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.498 -0.319 . . . . 1.01 110.291 179.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 40' ' ' GLY . . . . . . . . . . . . . . . -105.07 152.53 17.3 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.666 -0.778 . . . . 0.27 112.179 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 41' ' ' GLY . . . . . . . . . . . . . . . 99.62 40.71 3.1 Favored Glycine 0 C--O 1.23 -0.134 0 C-N-CA 120.918 -0.658 . . . . 0.49 112.207 178.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 42' ' ' LEU . . . . . 0.457 ' O ' ' HA2' ' S' ' 77' ' ' GLY . 92.4 mt -113.3 135.36 21.81 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-O 120.629 0.252 . . . . 1.11 110.471 -178.059 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 43' ' ' PRO . . . . . 0.615 ' HD2' ' OG1' ' S' ' 46' ' ' THR . 16.7 Cg_exo -66.44 170.63 11.89 Favored 'Trans proline' 0 N--CA 1.462 -0.333 0 C-N-CA 122.652 2.235 . . . . 0.62 112.213 175.345 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 44' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -71.36 -16.05 62.41 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.841 -0.618 . . . . 2.81 110.348 -178.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 45' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -82.73 -17.16 45.3 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.339 -0.846 . . . . 3.13 110.415 -177.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 46' ' ' THR . . . . . 0.615 ' OG1' ' HD2' ' S' ' 43' ' ' PRO . 59.2 m -79.27 112.34 16.41 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-N 115.895 -0.593 . . . . 1.14 109.474 -175.274 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 47' ' ' SER . . . . . 0.448 ' HB2' ' HG2' ' S' ' 49' ' ' LYS . 15.5 m -95.27 173.45 7.53 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.845 -0.616 . . . . 0.68 110.051 -178.184 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 48' ' ' ASP . . . . . 0.579 ' HB2' ' O ' ' S' ' 64' ' ' ALA . 7.3 p-10 -61.63 -35.28 77.46 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.05 -0.523 . . . . 1.29 110.517 178.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 49' ' ' LYS . . . . . 0.448 ' HG2' ' HB2' ' S' ' 47' ' ' SER . 61.9 pttt -60.32 -37.4 80.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.951 -0.568 . . . . 3.0 110.888 175.784 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 50' ' ' THR . . . . . . . . . . . . . 1.3 m -68.7 -45.34 71.88 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-O 121.187 0.518 . . . . 1.15 110.176 -177.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 51' ' ' LEU . . . . . . . . . . . . . 17.0 tp -60.1 -45.72 92.01 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.612 -0.722 . . . . 1.23 110.403 176.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 52' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -60.21 -47.89 84.05 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.922 -0.581 . . . . 0.73 110.687 178.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 53' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -50.56 -45.0 56.83 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.703 -0.681 . . . . 2.24 111.452 -178.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 54' ' ' TYR . . . . . 0.467 ' OH ' ' HB3' ' S' ' 98' ' ' PRO . 87.2 t80 -73.02 -37.4 66.94 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.067 -0.515 . . . . 1.2 111.986 -176.349 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 55' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -85.75 -20.5 29.18 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 113.873 1.064 . . . . 0.68 113.873 -172.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 56' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -58.8 -20.45 50.15 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 121.167 0.508 . . . . 1.47 111.453 -179.029 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 57' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -64.3 -29.07 70.16 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.374 0.607 . . . . 3.67 111.194 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 58' ' ' PHE . . . . . 0.403 ' O ' ' HD3' ' S' ' 91' ' ' ARG . 31.6 m-85 -98.48 -11.11 22.64 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.249 -0.887 . . . . 0.71 111.753 -170.536 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 59' ' ' GLY . . . . . . . . . . . . . . . 159.61 -165.21 34.43 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.284 -0.96 . . . . 0.51 112.524 178.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 60' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -88.27 142.17 27.96 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.893 -0.41 . . . . 1.99 109.893 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 61' ' ' ILE . . . . . . . . . . . . . 57.1 mt -118.76 134.28 62.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.017 -0.538 . . . . 1.13 110.542 -175.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 62' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -98.25 -36.32 10.06 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.128 0.489 . . . . 1.91 110.614 176.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 63' ' ' GLU . . . . . 0.455 ' O ' ' HA ' ' S' ' 81' ' ' VAL . 30.5 tt0 -136.51 131.68 34.26 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.028 -0.533 . . . . 1.81 110.444 -177.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 64' ' ' ALA . . . . . 0.579 ' O ' ' HB2' ' S' ' 48' ' ' ASP . . . -153.48 100.7 2.44 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.898 -0.408 . . . . 1.14 109.898 176.049 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 65' ' ' VAL . . . . . 0.47 ' HA ' ' HB3' ' S' ' 48' ' ' ASP . 29.4 m -136.97 142.93 36.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 111.766 0.284 . . . . 1.07 111.766 -177.063 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 66' ' ' VAL . . . . . . . . . . . . . 98.0 t -94.98 117.39 38.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 108.646 -0.872 . . . . 1.07 108.646 171.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 67' ' ' ILE . . . . . . . . . . . . . 48.4 mm -69.56 132.14 33.39 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 CA-C-O 121.488 0.661 . . . . 1.19 112.036 -169.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 68' ' ' THR . . . . . . . . . . . . . 21.0 p -106.4 151.46 24.87 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 114.851 -1.068 . . . . 1.27 110.179 179.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 69' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -70.31 138.43 51.49 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.374 -0.376 . . . . 1.75 110.026 177.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 70' ' ' ARG . . . . . . . . . . . . . 68.3 mtp180 -74.3 -18.23 60.74 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 111.769 0.285 . . . . 4.77 111.769 -173.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 71' ' ' ASN . . . . . . . . . . . . . 40.7 t-20 -95.19 -56.04 2.86 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.013 0.435 . . . . 2.82 110.677 -178.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 72' ' ' THR . . . . . . . . . . . . . 39.7 p -85.82 -23.63 27.08 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.525 0.565 . . . . 2.27 112.525 -174.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 73' ' ' GLN . . . . . . . . . . . . . 21.0 mm-40 69.71 25.3 5.18 Favored 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 112.204 0.446 . . . . 2.59 112.204 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 74' ' ' LYS . . . . . . . . . . . . . 56.0 mttp -106.77 155.15 20.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.289 -0.414 . . . . 3.24 109.885 172.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 75' ' ' SER . . . . . . . . . . . . . 7.3 m -63.87 138.01 58.29 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.455 -0.339 . . . . 1.54 111.207 -177.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 76' ' ' ARG . . . . . . . . . . . . . 51.4 mtt180 -83.43 -15.96 47.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.342 -0.39 . . . . 2.96 111.935 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 77' ' ' GLY . . . . . 0.457 ' HA2' ' O ' ' S' ' 42' ' ' LEU . . . 107.44 29.43 4.48 Favored Glycine 0 CA--C 1.518 0.24 0 C-N-CA 120.302 -0.951 . . . . 0.63 113.797 174.319 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 78' ' ' TYR . . . . . . . . . . . . . 50.9 p90 -164.21 164.03 22.69 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.934 -0.395 . . . . 1.05 109.934 178.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 79' ' ' GLY . . . . . . . . . . . . . . . -140.89 162.85 26.68 Favored Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 121.034 -0.603 . . . . 0.19 112.167 179.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 80' ' ' PHE . . . . . 0.417 ' O ' ' HA ' ' S' ' 64' ' ' ALA . 37.3 m-85 -117.24 137.66 52.24 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.656 0.265 . . . . 0.47 110.665 177.43 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 81' ' ' VAL . . . . . 0.455 ' HA ' ' O ' ' S' ' 63' ' ' GLU . 21.9 t -128.09 115.3 38.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.158 -0.474 . . . . 1.11 110.357 177.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 82' ' ' THR . . . . . 0.45 ' HB ' ' HB3' ' S' ' 63' ' ' GLU . 40.1 m -100.29 114.32 27.71 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.98 -0.748 . . . . 1.09 108.98 176.164 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 83' ' ' MET . . . . . 0.669 ' HG3' ' HA ' ' S' ' 89' ' ' ALA . 96.2 mmm -84.54 163.01 19.63 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.797 -0.638 . . . . 1.13 111.584 -172.794 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 84' ' ' LYS . . . . . . . . . . . . . 66.3 tttt -57.23 -43.91 83.31 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.7 -1.136 . . . . 2.79 111.895 177.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 85' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -153.92 -176.21 5.74 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.457 -0.571 . . . . 1.85 109.457 -177.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 86' ' ' ARG . . . . . 0.512 ' O ' ' HG3' ' S' ' 90' ' ' GLU . 22.4 ttp180 -76.93 -33.32 57.73 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.561 -0.456 . . . . 4.59 111.133 -175.11 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.05 -44.91 87.48 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.763 0.316 . . . . 1.26 110.361 -177.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 88' ' ' SER . . . . . . . . . . . . . 8.3 p -67.08 -38.17 85.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.373 -0.376 . . . . 1.26 110.189 177.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 89' ' ' ALA . . . . . 0.669 ' HA ' ' HG3' ' S' ' 83' ' ' MET . . . -59.77 -48.3 82.21 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.818 -0.628 . . . . 1.17 111.447 175.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 90' ' ' GLU . . . . . 0.512 ' HG3' ' O ' ' S' ' 86' ' ' ARG . 78.1 mt-10 -64.41 -32.74 74.49 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 120.831 0.348 . . . . 1.85 111.211 -179.62 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 91' ' ' ARG . . . . . 0.403 ' HD3' ' O ' ' S' ' 58' ' ' PHE . 57.3 ttt180 -69.07 -29.29 67.38 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.179 -0.464 . . . . 3.45 110.272 179.035 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 92' ' ' ALA . . . . . . . . . . . . . . . -84.16 -42.7 15.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 1.15 110.487 176.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 93' ' ' CYS . . . . . . . . . . . . . 13.0 t -80.54 3.72 20.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.05 -0.523 . . . . 2.24 110.338 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 94' ' ' LYS . . . . . . . . . . . . . 15.9 tptp -56.44 -37.9 70.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.356 -0.838 . . . . 3.42 110.452 176.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 95' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -120.69 102.13 45.04 Favored Pre-proline 0 C--N 1.319 -0.742 0 CA-C-N 115.977 -0.556 . . . . 2.13 109.798 174.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 96' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.8 -6.56 19.39 Favored 'Trans proline' 0 C--N 1.343 0.255 0 C-N-CA 122.875 2.383 . . . . 1.08 112.667 -176.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 97' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -127.07 77.17 75.6 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 120.939 0.4 . . . . 1.08 111.029 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 98' ' ' PRO . . . . . 0.467 ' HB3' ' OH ' ' S' ' 54' ' ' TYR . 4.5 Cg_exo -81.88 163.41 18.3 Favored 'Trans proline' 0 N--CA 1.456 -0.696 0 C-N-CA 123.214 2.609 . . . . 0.76 111.279 175.316 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 99' ' ' ILE . . . . . . . . . . . . . 48.8 mm -110.16 103.05 14.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-O 121.056 0.455 . . . . 1.19 109.857 179.086 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 100' ' ' ILE . . . . . . . . . . . . . 62.2 mt -118.96 129.97 74.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 109.215 -0.661 . . . . 1.18 109.215 -178.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 101' ' ' ASP . . . . . . . . . . . . . 29.5 t70 66.15 14.62 9.73 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 122.0 0.905 . . . . 1.4 109.957 -177.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 102' ' ' GLY . . . . . . . . . . . . . . . 83.27 1.05 90.42 Favored Glycine 0 N--CA 1.449 -0.468 0 CA-C-N 115.544 -0.753 . . . . 0.93 111.627 -175.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 103' ' ' ARG . . . . . 0.501 ' NE ' ' HG3' ' S' ' 43' ' ' PRO . 55.6 mtt180 -99.64 157.23 16.61 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 110.226 -0.287 . . . . 3.59 110.226 -179.783 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 104' ' ' LYS . . . . . . . . . . . . . 52.9 tttm -87.72 109.59 19.82 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.116 0.484 . . . . 2.58 110.342 177.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 105' ' ' ALA . . . . . . . . . . . . . . . -89.77 165.46 14.15 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.785 -0.643 . . . . 1.06 111.008 -177.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 106' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -124.0 110.22 14.51 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.15 -0.477 . . . . 2.54 109.933 179.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 107' ' ' VAL . . . . . 0.466 HG11 ' CG2' ' S' ' 37' ' ' ILE . 54.4 t -110.9 126.99 68.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.848 -0.615 . . . . 1.22 110.57 -178.169 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 108' ' ' ASN . . . . . 0.676 HD22 HD13 ' S' ' 112' ' ' LEU . 9.6 t30 -160.69 146.28 14.71 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.989 -0.551 . . . . 1.76 110.455 -177.089 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 109' ' ' LEU . . . . . . . . . . . . . 97.7 mt -63.79 128.51 36.13 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-O 121.154 0.502 . . . . 1.22 110.953 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.31 -20.06 63.88 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.971 0.73 . . . . 1.25 112.971 -169.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 111' ' ' TYR . . . . . . . . . . . . . 15.0 p90 -60.75 -24.83 66.04 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 120.587 0.232 . . . . 1.7 111.619 -174.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 112' ' ' LEU . . . . . 0.676 HD13 HD22 ' S' ' 108' ' ' ASN . 84.1 mt -62.97 -28.66 70.24 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.393 -0.367 . . . . 1.6 111.122 -179.234 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 113' ' ' GLY . . . . . . . . . . . . . . . 131.53 52.6 0.09 OUTLIER Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.813 -0.708 . . . . 2.01 111.918 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 114' ' ' ALA . . . . . . . . . . . . . . . -82.41 97.42 8.36 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.741 0.305 . . . . 1.7 111.521 -176.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 115' ' ' LYS . . . . . . . . . . . . . 16.2 pttm -108.36 143.05 26.66 Favored Pre-proline 0 C--N 1.326 -0.441 0 N-CA-C 109.743 -0.466 . . . . 5.63 109.743 173.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 116' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -78.89 -172.5 1.55 Allowed 'Trans proline' 0 N--CA 1.458 -0.56 0 C-N-CA 122.576 2.184 . . . . 3.16 112.714 -178.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 117' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -59.58 142.51 52.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.735 -0.666 . . . . 5.14 111.084 178.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 118' ' ' THR . . . . . . . . . . . . . 40.1 p -106.95 -29.8 9.24 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.214 0.531 . . . . 6.65 110.057 177.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 119' ' ' ASN . . . . . . . . . . . . . 5.6 t30 67.97 85.18 0.14 Allowed 'General case' 0 C--O 1.233 0.19 0 CA-C-N 114.537 -1.21 . . . . 7.34 110.354 -179.016 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 120' ' ' VAL . . . . . . . . . . . . . 51.9 t 69.08 88.57 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 CA-C-N 115.149 -0.932 . . . . 9.17 111.094 -178.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 121' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.167 0 CA-C-N 115.01 -0.996 . . . . 11.88 110.485 178.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.652 0 N-CA-C 111.747 -0.541 . . . . 11.27 111.747 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' S' S ' 26' ' ' ALA . . . . . . . . . . . . . . . -114.74 137.63 51.69 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.714 0.292 . . . . 9.73 111.26 -177.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -134.5 140.15 45.97 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.173 -0.677 . . . . 10.2 109.173 175.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.3 44.51 34.3 Favored Glycine 0 N--CA 1.45 -0.377 0 N-CA-C 110.607 -0.997 . . . . 6.05 110.607 -176.018 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 29' ' ' SER . . . . . . . . . . . . . 11.0 p -85.79 177.9 7.5 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.479 0.657 . . . . 4.57 112.044 -174.002 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 30' ' ' ARG . . . . . . . . . . . . . 30.3 ptt180 -63.47 119.44 9.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.167 -0.924 . . . . 7.76 110.599 176.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 31' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -87.24 116.95 25.67 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.423 0.63 . . . . 3.39 111.482 179.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 32' ' ' THR . . . . . 0.476 ' HA ' ' OG1' ' S' ' 35' ' ' THR . 1.0 OUTLIER -127.74 13.78 6.92 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.072 -0.967 . . . . 1.79 108.983 170.56 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' S' S ' 33' ' ' MET . . . . . 0.587 ' HB3' ' HB3' ' S' ' 111' ' ' TYR . 58.3 mtm -84.63 -44.36 13.54 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.084 -0.962 . . . . 2.01 110.036 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 34' ' ' PHE . . . . . 0.439 ' HB3' ' NH1' ' S' ' 86' ' ' ARG . 82.2 m-85 -94.76 -1.7 52.42 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.459 -0.791 . . . . 1.16 111.46 -176.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 35' ' ' THR . . . . . 0.476 ' OG1' ' HA ' ' S' ' 32' ' ' THR . 7.3 p -114.54 -11.92 12.35 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.079 0.399 . . . . 1.22 112.079 -176.645 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 36' ' ' LYS . . . . . . . . . . . . . 27.7 tttp -105.69 114.82 29.2 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.288 0.566 . . . . 2.47 110.495 -178.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 37' ' ' ILE . . . . . . . . . . . . . 69.2 mt -94.96 135.39 29.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 115.228 -0.896 . . . . 1.18 110.986 -178.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 38' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -98.9 120.71 39.79 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.965 -0.754 . . . . 0.57 108.965 175.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 39' ' ' VAL . . . . . 0.515 HG22 HD12 ' S' ' 51' ' ' LEU . 20.2 t -113.86 99.58 8.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 120.773 0.32 . . . . 1.01 110.16 -179.454 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 40' ' ' GLY . . . . . . . . . . . . . . . -106.18 154.13 16.94 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.692 -0.766 . . . . 0.27 112.256 -178.092 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 41' ' ' GLY . . . . . . . . . . . . . . . 99.11 24.31 10.54 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.788 -0.72 . . . . 0.49 112.026 178.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 42' ' ' LEU . . . . . . . . . . . . . 92.2 mt -91.72 137.64 25.47 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-O 120.6 0.238 . . . . 1.11 110.591 -177.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 43' ' ' PRO . . . . . 0.555 ' HD2' ' OG1' ' S' ' 46' ' ' THR . 14.5 Cg_exo -68.4 164.86 31.02 Favored 'Trans proline' 0 N--CA 1.459 -0.541 0 C-N-CA 122.579 2.186 . . . . 0.62 111.539 173.376 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 44' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -65.99 -20.49 66.21 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.101 0.477 . . . . 2.81 110.85 -178.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 45' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -83.52 -4.9 58.95 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.358 -0.837 . . . . 3.13 110.177 -175.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 46' ' ' THR . . . . . 0.555 ' OG1' ' HD2' ' S' ' 43' ' ' PRO . 78.7 m -95.95 109.51 21.87 Favored 'General case' 0 N--CA 1.439 -1.022 0 N-CA-C 109.292 -0.633 . . . . 1.14 109.292 -176.663 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 47' ' ' SER . . . . . . . . . . . . . 14.5 m -101.54 -175.51 2.88 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.98 -0.554 . . . . 0.68 110.411 -176.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 48' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -55.93 -41.82 75.2 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.168 -0.924 . . . . 1.29 110.882 177.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 49' ' ' LYS . . . . . . . . . . . . . 24.0 pttm -59.84 -40.35 88.19 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.027 -0.533 . . . . 3.0 111.298 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 50' ' ' THR . . . . . . . . . . . . . 4.3 m -67.72 -49.21 63.8 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-O 121.265 0.555 . . . . 1.15 110.394 -178.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 51' ' ' LEU . . . . . 0.515 HD12 HG22 ' S' ' 39' ' ' VAL . 29.5 tp -60.98 -41.63 96.8 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.404 -0.817 . . . . 1.23 110.802 178.201 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 52' ' ' HIS . . . . . . . . . . . . . 39.8 t-80 -61.64 -48.51 80.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.532 -0.758 . . . . 0.73 111.16 -179.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 53' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -57.55 -49.48 76.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.532 -0.303 . . . . 2.24 111.585 -177.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 54' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -65.43 -40.09 92.9 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.533 -0.303 . . . . 1.2 111.582 -174.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 55' ' ' PHE . . . . . 0.525 ' HA ' ' HD2' ' S' ' 58' ' ' PHE . 33.9 m-85 -84.64 -20.57 31.12 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.295 0.48 . . . . 0.68 112.295 -174.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 56' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -60.46 -26.31 66.67 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 121.283 0.563 . . . . 1.47 110.076 176.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 57' ' ' GLN . . . . . . . . . . . . . 16.6 tp60 -57.8 -32.56 67.68 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.528 -0.76 . . . . 3.67 110.845 174.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 58' ' ' PHE . . . . . 0.525 ' HD2' ' HA ' ' S' ' 55' ' ' PHE . 75.2 m-85 -91.54 -1.51 57.48 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.436 -0.347 . . . . 0.71 111.699 -174.48 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 59' ' ' GLY . . . . . . . . . . . . . . . 143.07 -171.24 25.03 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.516 -0.85 . . . . 0.51 112.961 176.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 60' ' ' ASP . . . . . 0.579 ' OD1' ' HE2' ' S' ' 84' ' ' LYS . 11.7 m-20 -76.76 136.56 39.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.842 0.353 . . . . 1.99 110.512 -179.436 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 61' ' ' ILE . . . . . 0.686 HG22 ' HB1' ' S' ' 64' ' ' ALA . 56.0 mt -111.34 138.37 40.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.949 -0.568 . . . . 1.13 110.246 -178.338 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 62' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -102.44 -26.51 13.23 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.446 -0.343 . . . . 1.91 111.254 177.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 63' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -149.35 115.7 5.81 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.604 -0.271 . . . . 1.81 110.658 178.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 64' ' ' ALA . . . . . 0.686 ' HB1' HG22 ' S' ' 61' ' ' ILE . . . -137.13 103.18 5.05 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.769 0.319 . . . . 1.14 110.364 177.493 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 65' ' ' VAL . . . . . . . . . . . . . 16.3 m -142.21 139.74 29.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.084 -0.507 . . . . 1.07 110.867 -179.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 66' ' ' VAL . . . . . . . . . . . . . 60.0 t -90.36 121.46 40.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 108.063 -1.088 . . . . 1.07 108.063 170.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 67' ' ' ILE . . . . . . . . . . . . . 50.1 mm -68.3 130.24 33.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.115 0.483 . . . . 1.19 111.912 -167.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 68' ' ' THR . . . . . . . . . . . . . 27.1 p -104.02 142.49 34.36 Favored 'General case' 0 N--CA 1.441 -0.875 0 CA-C-N 115.312 -0.858 . . . . 1.27 109.486 178.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 69' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -65.95 151.67 46.26 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 120.907 -0.317 . . . . 1.75 110.576 178.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 70' ' ' ARG . . . . . . . . . . . . . 54.2 mtm180 -76.46 -23.82 53.88 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.773 0.321 . . . . 4.77 111.183 -175.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 71' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -92.75 -43.57 8.97 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.746 0.308 . . . . 2.82 110.729 -174.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 72' ' ' THR . . . . . . . . . . . . . 22.5 p -99.98 -25.14 14.42 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.342 0.497 . . . . 2.27 112.342 -176.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 73' ' ' GLN . . . . . . . . . . . . . 76.2 mm-40 60.28 37.27 20.49 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.42 0.629 . . . . 2.59 110.891 -175.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 74' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -114.55 161.83 17.52 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.444 -0.798 . . . . 3.24 109.235 174.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 75' ' ' SER . . . . . . . . . . . . . 45.7 t -59.98 137.85 57.99 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.022 0.439 . . . . 1.54 111.824 -177.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 76' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -92.76 3.76 55.03 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.976 -0.557 . . . . 2.96 111.395 177.187 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 77' ' ' GLY . . . . . . . . . . . . . . . 90.63 13.75 59.22 Favored Glycine 0 CA--C 1.52 0.378 0 C-N-CA 120.426 -0.892 . . . . 0.63 113.571 174.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 78' ' ' TYR . . . . . . . . . . . . . 29.1 p90 -156.35 156.35 33.77 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.884 0.373 . . . . 1.05 110.771 177.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 79' ' ' GLY . . . . . . . . . . . . . . . -136.42 162.43 25.11 Favored Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 121.102 -0.571 . . . . 0.19 111.934 178.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 80' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -113.64 136.16 53.13 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 122.812 -0.228 . . . . 0.47 110.46 178.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 81' ' ' VAL . . . . . . . . . . . . . 56.3 t -123.2 116.48 48.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.048 -0.524 . . . . 1.11 110.061 177.002 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 82' ' ' THR . . . . . . . . . . . . . 29.3 m -105.83 114.5 28.69 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.149 -0.478 . . . . 1.09 109.776 179.068 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 83' ' ' MET . . . . . 0.613 ' HG3' ' HA ' ' S' ' 89' ' ' ALA . 92.3 mmm -87.25 170.38 11.5 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 123.783 0.677 . . . . 1.13 110.744 -176.331 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 84' ' ' LYS . . . . . 0.579 ' HE2' ' OD1' ' S' ' 60' ' ' ASP . 0.0 OUTLIER -85.08 -18.23 34.95 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.903 0.334 . . . . 2.79 111.903 -176.146 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' S' S ' 85' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -158.8 177.35 11.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.787 0.327 . . . . 1.85 110.581 -179.383 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 86' ' ' ARG . . . . . 0.439 ' NH1' ' HB3' ' S' ' 34' ' ' PHE . 23.9 tpt180 -73.15 -40.83 64.55 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.848 -0.614 . . . . 4.59 112.015 -174.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.63 -42.7 98.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.775 0.322 . . . . 1.26 111.128 -174.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 88' ' ' SER . . . . . . . . . . . . . 32.6 p -70.68 -37.65 73.65 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.788 0.327 . . . . 1.26 110.353 178.074 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 89' ' ' ALA . . . . . 0.613 ' HA ' ' HG3' ' S' ' 83' ' ' MET . . . -59.44 -51.76 68.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.815 -0.63 . . . . 1.17 111.626 178.194 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 90' ' ' GLU . . . . . 0.537 ' O ' ' HG2' ' S' ' 94' ' ' LYS . 11.5 pt-20 -74.53 -22.24 59.13 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.521 -0.472 . . . . 1.85 110.803 -179.063 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 91' ' ' ARG . . . . . . . . . . . . . 40.8 ttp180 -66.37 -32.36 73.69 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.818 -0.438 . . . . 3.45 109.818 174.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 92' ' ' ALA . . . . . . . . . . . . . . . -77.51 -34.03 54.16 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.939 -0.573 . . . . 1.15 109.891 174.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 93' ' ' CYS . . . . . . . . . . . . . 44.1 t -69.48 -9.98 56.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.576 -0.738 . . . . 2.24 110.743 178.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 94' ' ' LYS . . . . . 0.537 ' HG2' ' O ' ' S' ' 90' ' ' GLU . 34.3 mmtp -69.38 -14.93 63.17 Favored 'General case' 0 CA--C 1.528 0.123 0 CA-C-N 116.292 -0.413 . . . . 3.42 111.132 174.064 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 95' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -104.55 97.92 13.44 Favored Pre-proline 0 C--N 1.327 -0.408 0 N-CA-C 109.463 -0.569 . . . . 2.13 109.463 178.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 96' ' ' PRO . . . . . 0.477 ' HD3' ' O ' ' S' ' 94' ' ' LYS . 14.4 Cg_exo -69.4 -55.48 0.19 Allowed 'Trans proline' 0 C--O 1.237 0.464 0 C-N-CA 123.063 2.509 . . . . 1.08 112.46 -174.676 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 97' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -126.19 83.9 62.75 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 115.891 -0.595 . . . . 1.08 110.554 -179.097 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 98' ' ' PRO . . . . . 0.401 ' HG2' ' HB1' ' S' ' 105' ' ' ALA . 95.7 Cg_endo -81.98 153.58 16.97 Favored 'Trans proline' 0 N--CA 1.457 -0.657 0 C-N-CA 122.635 2.223 . . . . 0.76 112.216 178.709 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 99' ' ' ILE . . . . . . . . . . . . . 46.7 mm -95.11 106.97 18.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 121.265 0.555 . . . . 1.19 109.822 177.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 100' ' ' ILE . . . . . . . . . . . . . 53.8 mt -117.8 122.69 70.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.897 -0.592 . . . . 1.18 109.83 -178.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 101' ' ' ASP . . . . . . . . . . . . . 19.8 t70 64.85 15.2 9.73 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.68 0.752 . . . . 1.4 110.953 175.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 102' ' ' GLY . . . . . . . . . . . . . . . 99.76 1.2 56.33 Favored Glycine 0 N--CA 1.449 -0.438 0 CA-C-N 115.716 -0.675 . . . . 0.93 112.842 179.007 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 103' ' ' ARG . . . . . 0.434 ' NE ' ' HA ' ' S' ' 103' ' ' ARG . 2.0 tpm_? -119.82 156.2 31.12 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 122.658 -0.319 . . . . 3.59 110.366 -177.757 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 104' ' ' LYS . . . . . . . . . . . . . 29.4 ttmt -82.46 121.06 26.26 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 110.256 -0.276 . . . . 2.58 110.256 175.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 105' ' ' ALA . . . . . 0.401 ' HB1' ' HG2' ' S' ' 98' ' ' PRO . . . -97.73 161.52 13.71 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.36 -0.382 . . . . 1.06 110.453 177.276 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 106' ' ' ASN . . . . . . . . . . . . . 46.8 m-80 -119.67 112.55 19.44 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.607 -0.516 . . . . 2.54 109.607 178.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 107' ' ' VAL . . . . . . . . . . . . . 99.3 t -103.54 126.37 58.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.845 -0.616 . . . . 1.22 111.04 -177.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 108' ' ' ASN . . . . . . . . . . . . . 32.5 p-10 -157.57 168.22 27.92 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.128 -0.487 . . . . 1.76 109.926 176.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 109' ' ' LEU . . . . . . . . . . . . . 89.2 mt -84.92 135.32 34.1 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.457 -0.338 . . . . 1.22 110.656 -178.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.76 -31.38 69.6 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.693 0.627 . . . . 1.25 112.693 -173.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 111' ' ' TYR . . . . . 0.587 ' HB3' ' HB3' ' S' ' 33' ' ' MET . 4.6 p90 -71.37 -11.84 61.11 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 121.203 -0.199 . . . . 1.7 111.373 -175.049 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 112' ' ' LEU . . . . . . . . . . . . . 93.4 mt -72.68 -14.39 61.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.162 0.506 . . . . 1.6 110.574 179.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 113' ' ' GLY . . . . . . . . . . . . . . . 125.47 42.55 0.31 Allowed Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.81 -0.709 . . . . 2.01 112.49 178.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 114' ' ' ALA . . . . . . . . . . . . . . . -77.98 98.73 5.79 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.028 0.442 . . . . 1.7 110.556 178.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 115' ' ' LYS . . . . . 0.584 ' HB3' ' HZ1' ' S' ' 115' ' ' LYS . 7.0 mtpm? -96.49 118.25 65.44 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-N 116.069 -0.514 . . . . 5.63 110.31 -177.53 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 116' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_exo -51.01 153.13 9.29 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 123.252 2.635 . . . . 3.16 112.866 178.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 117' ' ' ARG . . . . . . . . . . . . . 30.6 mmm180 -81.5 48.65 1.19 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.368 0.604 . . . . 5.14 111.048 -176.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 118' ' ' THR . . . . . . . . . . . . . 33.9 p -100.87 108.67 20.5 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.565 -0.743 . . . . 6.65 110.047 178.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 119' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -78.34 86.25 4.42 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.362 -0.381 . . . . 7.34 110.249 -179.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 120' ' ' VAL . . . . . . . . . . . . . 3.3 p -137.32 113.08 11.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.004 -0.544 . . . . 9.17 110.494 -179.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 121' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 . . . . . 0 C--O 1.252 1.218 0 CA-C-N 115.411 -0.813 . . . . 11.88 110.634 179.559 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' S' S ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.279 0 N-CA-C 111.832 -0.507 . . . . 11.27 111.832 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' S' S ' 26' ' ' ALA . . . . . . . . . . . . . . . -153.03 167.91 27.62 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.957 -0.386 . . . . 9.73 109.957 179.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 27' ' ' MET . . . . . . . . . . . . . 93.7 mmm 65.26 98.69 0.04 OUTLIER 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.714 0.769 . . . . 10.2 111.862 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 28' ' ' GLY . . . . . . . . . . . . . . . -177.74 109.06 0.26 Allowed Glycine 0 N--CA 1.445 -0.732 0 CA-C-N 115.064 -0.971 . . . . 6.05 111.39 177.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 29' ' ' SER . . . . . . . . . . . . . 7.1 m -85.13 69.93 10.83 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.01 0.433 . . . . 4.57 110.21 -176.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 30' ' ' ARG . . . . . . . . . . . . . 66.1 ttt180 -126.37 140.72 52.28 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.914 -0.585 . . . . 7.76 109.922 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -95.46 143.01 27.15 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.209 0.528 . . . . 3.39 109.861 178.076 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 32' ' ' THR . . . . . 0.599 ' HA ' ' OG1' ' S' ' 35' ' ' THR . 35.3 p -114.5 25.27 11.16 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.576 -0.738 . . . . 1.79 109.291 172.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 50.2 mtm -84.56 -55.18 4.26 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.484 -0.78 . . . . 2.01 110.008 -179.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 34' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -93.06 6.07 49.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.536 -0.756 . . . . 1.16 110.835 -176.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 35' ' ' THR . . . . . 0.599 ' OG1' ' HA ' ' S' ' 32' ' ' THR . 12.7 p -114.38 -8.65 12.83 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.103 0.478 . . . . 1.22 110.533 -177.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 36' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -103.68 103.14 13.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.267 -0.879 . . . . 2.47 110.669 -176.125 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 37' ' ' ILE . . . . . 0.423 ' CG2' HG11 ' S' ' 107' ' ' VAL . 66.5 mt -90.92 130.72 39.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 115.301 -0.863 . . . . 1.18 110.771 -177.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 38' ' ' PHE . . . . . 0.41 ' HB2' ' HB3' ' S' ' 110' ' ' ALA . 90.8 t80 -98.34 121.86 40.79 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.548 -0.538 . . . . 0.57 109.548 174.207 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 39' ' ' VAL . . . . . 0.43 HG22 HD12 ' S' ' 51' ' ' LEU . 27.9 t -117.54 98.66 6.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.314 -0.403 . . . . 1.01 110.046 178.346 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 40' ' ' GLY . . . . . . . . . . . . . . . -104.44 152.89 17.57 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.636 -0.792 . . . . 0.27 111.611 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 41' ' ' GLY . . . . . . . . . . . . . . . 98.66 34.69 5.16 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.804 -0.712 . . . . 0.49 111.769 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 42' ' ' LEU . . . . . . . . . . . . . 97.5 mt -100.38 140.05 21.14 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-O 120.787 0.327 . . . . 1.11 110.319 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 43' ' ' PRO . . . . . 0.509 ' HD2' ' OG1' ' S' ' 46' ' ' THR . 16.9 Cg_exo -68.6 168.89 18.64 Favored 'Trans proline' 0 N--CA 1.46 -0.488 0 C-N-CA 122.539 2.16 . . . . 0.62 111.77 174.091 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 44' ' ' TYR . . . . . 0.459 ' HA ' ' HB3' ' S' ' 75' ' ' SER . 19.8 m-85 -72.72 -10.53 59.91 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.212 0.529 . . . . 2.81 110.546 -176.774 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 45' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -90.96 -4.41 56.5 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.366 -0.833 . . . . 3.13 109.925 -175.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 46' ' ' THR . . . . . 0.509 ' OG1' ' HD2' ' S' ' 43' ' ' PRO . 62.6 m -92.17 113.72 26.07 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-N 115.688 -0.687 . . . . 1.14 110.378 -175.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 47' ' ' SER . . . . . . . . . . . . . 36.6 m -103.61 178.95 4.41 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.026 -0.533 . . . . 0.68 110.263 179.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 48' ' ' ASP . . . . . 0.435 ' HB2' ' O ' ' S' ' 64' ' ' ALA . 6.6 p-10 -55.08 -38.14 67.7 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.199 -0.455 . . . . 1.29 110.729 178.167 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 49' ' ' LYS . . . . . 0.523 ' O ' ' HB2' ' S' ' 53' ' ' GLU . 12.7 ptmt -61.94 -27.47 68.86 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.398 -0.819 . . . . 3.0 111.297 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 50' ' ' THR . . . . . . . . . . . . . 9.2 m -84.36 -45.59 12.62 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 120.846 0.355 . . . . 1.15 110.779 -177.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 51' ' ' LEU . . . . . 0.43 HD12 HG22 ' S' ' 39' ' ' VAL . 25.6 tp -55.31 -48.38 74.22 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-O 121.444 0.64 . . . . 1.23 109.805 174.038 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 52' ' ' HIS . . . . . . . . . . . . . 31.5 t-80 -63.38 -41.53 98.8 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.109 -0.951 . . . . 0.73 110.901 178.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 53' ' ' GLU . . . . . 0.523 ' HB2' ' O ' ' S' ' 49' ' ' LYS . 5.6 tp10 -52.32 -41.55 63.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.482 -0.781 . . . . 2.24 111.4 -177.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 54' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -81.52 -45.53 15.81 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.677 -0.692 . . . . 1.2 112.175 -174.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 55' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -85.01 -20.61 30.22 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 114.76 1.393 . . . . 0.68 114.76 -167.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 56' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -65.95 -11.55 48.37 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 118.936 0.789 . . . . 1.47 110.863 -177.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 57' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -62.94 -23.24 67.29 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.971 -0.559 . . . . 3.67 110.143 176.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 58' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -91.07 -27.39 18.63 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.669 -0.696 . . . . 0.71 111.69 -175.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 59' ' ' GLY . . . . . . . . . . . . . . . 164.98 -172.03 40.54 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.501 -0.857 . . . . 0.51 112.659 -179.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 60' ' ' ASP . . . . . 0.57 ' HB2' ' HB3' ' S' ' 84' ' ' LYS . 3.0 m-20 -62.28 124.33 20.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.867 0.365 . . . . 1.99 111.57 -179.229 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 61' ' ' ILE . . . . . 0.566 HG22 ' HB3' ' S' ' 64' ' ' ALA . 47.5 mt -104.32 120.71 55.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.839 -0.619 . . . . 1.13 110.096 173.758 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 62' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -92.15 -32.87 14.95 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.373 -0.376 . . . . 1.91 110.695 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 63' ' ' GLU . . . . . 0.408 ' HB3' ' HB ' ' S' ' 82' ' ' THR . 31.6 tt0 -140.11 126.22 19.79 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 110.041 -0.355 . . . . 1.81 110.041 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 64' ' ' ALA . . . . . 0.566 ' HB3' HG22 ' S' ' 61' ' ' ILE . . . -150.34 101.74 3.0 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.581 0.229 . . . . 1.14 110.674 178.422 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 65' ' ' VAL . . . . . . . . . . . . . 34.9 m -139.05 144.09 30.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.421 -0.354 . . . . 1.07 111.275 -179.031 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 66' ' ' VAL . . . . . . . . . . . . . 89.2 t -96.74 121.94 47.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 108.925 -0.769 . . . . 1.07 108.925 172.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 67' ' ' ILE . . . . . . . . . . . . . 48.7 mm -73.56 116.98 16.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.275 0.56 . . . . 1.19 111.879 -170.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 68' ' ' THR . . . . . . . . . . . . . 4.0 p -92.51 142.23 27.63 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.481 -0.781 . . . . 1.27 109.725 172.665 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 69' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -64.26 139.31 58.75 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 110.08 -0.341 . . . . 1.75 110.08 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 70' ' ' ARG . . . . . . . . . . . . . 41.0 mtp180 -74.59 -23.09 58.69 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 111.82 0.304 . . . . 4.77 111.82 -174.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 71' ' ' ASN . . . . . . . . . . . . . 46.7 t-20 -85.39 -56.61 3.44 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.81 0.338 . . . . 2.82 110.261 -177.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 72' ' ' THR . . . . . 0.43 ' HB ' ' HG2' ' S' ' 74' ' ' LYS . 32.1 p -89.49 -20.6 23.65 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.087 -0.506 . . . . 2.27 112.364 -175.2 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 73' ' ' GLN . . . . . . . . . . . . . 17.7 mm-40 64.36 28.92 13.71 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 121.34 0.591 . . . . 2.59 111.27 -178.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 74' ' ' LYS . . . . . 0.43 ' HG2' ' HB ' ' S' ' 72' ' ' THR . 29.0 mmmt -104.56 154.59 19.73 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.803 -0.814 . . . . 3.24 108.803 175.466 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 75' ' ' SER . . . . . 0.459 ' HB3' ' HA ' ' S' ' 44' ' ' TYR . 44.7 t -65.26 132.63 49.55 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.85 0.357 . . . . 1.54 110.697 179.542 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 76' ' ' ARG . . . . . . . . . . . . . 92.6 mtt180 -83.92 -3.08 57.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.265 -0.425 . . . . 2.96 111.141 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 77' ' ' GLY . . . . . . . . . . . . . . . 83.72 30.46 29.45 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.644 -0.789 . . . . 0.63 113.337 174.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 78' ' ' TYR . . . . . . . . . . . . . 24.1 p90 -161.67 156.57 23.23 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 110.128 -0.323 . . . . 1.05 110.128 176.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 79' ' ' GLY . . . . . . . . . . . . . . . -145.14 169.41 26.82 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.838 -0.696 . . . . 0.19 112.051 178.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 80' ' ' PHE . . . . . 0.403 ' CE1' ' HD1' ' S' ' 38' ' ' PHE . 96.6 m-85 -122.04 138.45 54.43 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.629 0.252 . . . . 0.47 110.53 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 81' ' ' VAL . . . . . . . . . . . . . 42.3 t -122.69 122.48 66.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.29 -0.414 . . . . 1.11 110.844 178.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 82' ' ' THR . . . . . 0.433 ' HA ' ' O ' ' S' ' 35' ' ' THR . 58.3 m -102.62 114.24 28.3 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.657 -0.497 . . . . 1.09 109.657 175.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 83' ' ' MET . . . . . 0.617 ' HG3' ' HA ' ' S' ' 89' ' ' ALA . 98.2 mmm -92.29 165.47 13.08 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.798 -0.637 . . . . 1.13 111.046 -177.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 84' ' ' LYS . . . . . 0.57 ' HB3' ' HB2' ' S' ' 60' ' ' ASP . 12.5 ptmm? -56.82 -45.76 82.09 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.434 -0.803 . . . . 2.79 112.194 179.63 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 85' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -146.73 170.41 17.04 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.845 -0.428 . . . . 1.85 109.845 -177.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 86' ' ' ARG . . . . . 0.511 ' O ' ' HG3' ' S' ' 90' ' ' GLU . 39.2 ptt180 -69.29 -32.73 72.07 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.059 -0.519 . . . . 4.59 111.993 -174.745 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 87' ' ' ALA . . . . . . . . . . . . . . . -71.63 -43.52 66.01 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.87 0.367 . . . . 1.26 110.46 -177.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 88' ' ' SER . . . . . . . . . . . . . 50.8 m -63.32 -39.5 94.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.158 0.504 . . . . 1.26 110.011 175.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 89' ' ' ALA . . . . . 0.617 ' HA ' ' HG3' ' S' ' 83' ' ' MET . . . -59.97 -42.72 94.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.578 -0.737 . . . . 1.17 110.927 174.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 90' ' ' GLU . . . . . 0.518 ' O ' ' HG2' ' S' ' 94' ' ' LYS . 44.7 mt-10 -62.03 -35.41 78.51 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 116.55 -0.295 . . . . 1.85 111.174 177.402 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 91' ' ' ARG . . . . . . . . . . . . . 53.5 ttt180 -62.28 -37.77 86.79 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 110.04 -0.355 . . . . 3.45 110.04 177.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 92' ' ' ALA . . . . . . . . . . . . . . . -71.18 -35.88 71.77 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.945 -0.57 . . . . 1.15 110.598 176.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 93' ' ' CYS . . . . . . . . . . . . . 22.3 t -78.63 0.1 27.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.804 -0.634 . . . . 2.24 110.945 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 94' ' ' LYS . . . . . 0.518 ' HG2' ' O ' ' S' ' 90' ' ' GLU . 37.9 mmtm -71.81 -11.58 60.87 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.366 -0.379 . . . . 3.42 110.765 172.248 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 95' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -111.65 85.77 6.37 Favored Pre-proline 0 C--N 1.327 -0.386 0 N-CA-C 109.318 -0.623 . . . . 2.13 109.318 170.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 96' ' ' PRO . . . . . 0.409 ' HD3' ' O ' ' S' ' 94' ' ' LYS . 19.6 Cg_exo -66.73 -33.43 34.81 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.941 2.427 . . . . 1.08 112.089 -176.713 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 97' ' ' ASN . . . . . 0.467 ' HA ' ' O ' ' S' ' 105' ' ' ALA . 10.1 m120 -125.28 85.02 58.89 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 115.978 -0.555 . . . . 1.08 110.427 178.422 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 98' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -83.95 149.18 12.28 Favored 'Trans proline' 0 N--CA 1.455 -0.781 0 C-N-CA 122.844 2.363 . . . . 0.76 111.653 176.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 99' ' ' ILE . . . . . . . . . . . . . 47.9 mm -97.52 91.47 2.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 121.629 0.728 . . . . 1.19 110.052 178.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 100' ' ' ILE . . . . . . . . . . . . . 58.5 mt -102.49 118.44 49.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 115.281 -0.872 . . . . 1.18 109.884 -178.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 101' ' ' ASP . . . . . . . . . . . . . 33.0 t70 65.06 14.42 9.35 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-O 122.042 0.925 . . . . 1.4 110.448 -177.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 102' ' ' GLY . . . . . . . . . . . . . . . 93.84 -1.19 68.0 Favored Glycine 0 N--CA 1.448 -0.502 0 CA-C-N 115.737 -0.665 . . . . 0.93 112.027 -178.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 103' ' ' ARG . . . . . . . . . . . . . 2.7 tpp180 -99.63 138.47 36.66 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.592 -0.522 . . . . 3.59 109.592 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 104' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -84.3 103.15 13.23 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.846 -0.428 . . . . 2.58 109.846 179.059 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 105' ' ' ALA . . . . . 0.467 ' O ' ' HA ' ' S' ' 97' ' ' ASN . . . -82.86 164.5 20.48 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.86 -0.609 . . . . 1.06 111.125 -177.155 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 106' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -117.09 109.14 16.58 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.776 -0.647 . . . . 2.54 109.29 177.336 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 107' ' ' VAL . . . . . 0.423 HG11 ' CG2' ' S' ' 37' ' ' ILE . 76.8 t -104.76 127.63 59.07 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 115.938 -0.574 . . . . 1.22 110.609 -176.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 108' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -159.01 156.78 29.99 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.872 -0.604 . . . . 1.76 109.584 -179.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 109' ' ' LEU . . . . . . . . . . . . . 93.4 mt -70.99 123.75 22.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.055 0.455 . . . . 1.22 109.793 177.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 110' ' ' ALA . . . . . 0.41 ' HB3' ' HB2' ' S' ' 38' ' ' PHE . . . -70.57 -10.86 60.3 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 113.01 0.745 . . . . 1.25 113.01 -170.348 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 111' ' ' TYR . . . . . . . . . . . . . 8.2 p90 -70.6 -16.99 62.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.674 0.273 . . . . 1.7 111.313 -175.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 112' ' ' LEU . . . . . . . . . . . . . 86.0 mt -79.81 -64.48 1.18 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.74 0.305 . . . . 1.6 111.222 -179.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 113' ' ' GLY . . . . . . . . . . . . . . . -177.21 64.67 0.09 OUTLIER Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.42 -0.895 . . . . 2.01 112.157 -178.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 114' ' ' ALA . . . . . . . . . . . . . . . -71.65 102.85 2.87 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.922 -0.399 . . . . 1.7 109.922 177.222 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 115' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -106.41 108.3 61.56 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 116.316 -0.402 . . . . 5.63 111.03 -175.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 116' ' ' PRO . . . . . . . . . . . . . 9.0 Cg_exo -72.46 -165.94 0.25 Allowed 'Trans proline' 0 CA--C 1.529 0.272 0 C-N-CA 123.278 2.652 . . . . 3.16 111.695 176.046 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 117' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -81.65 31.79 0.36 Allowed 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 111.999 0.37 . . . . 5.14 111.999 -176.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 118' ' ' THR . . . . . . . . . . . . . 51.8 m 72.75 122.32 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.374 0 O-C-N 123.603 0.565 . . . . 6.65 111.462 -178.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 119' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -167.81 -59.74 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.641 -0.708 . . . . 7.34 109.108 179.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 120' ' ' VAL . . . . . . . . . . . . . 47.2 t 71.44 -75.37 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 CA-C-N 115.121 -0.945 . . . . 9.17 111.614 177.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 121' ' ' GLN . . . . . 0.422 ' HA ' ' OE1' ' S' ' 121' ' ' GLN . 6.4 tp60 . . . . . 0 C--O 1.253 1.247 0 CA-C-O 118.448 -0.787 . . . . 11.88 110.876 -173.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.75 0 N-CA-C 111.944 -0.462 . . . . 11.27 111.944 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' S' S ' 26' ' ' ALA . . . . . 0.454 ' O ' ' HB2' ' S' ' 27' ' ' MET . . . -81.23 -28.58 34.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.657 0.228 . . . . 9.73 111.572 -175.48 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 27' ' ' MET . . . . . 0.454 ' HB2' ' O ' ' S' ' 26' ' ' ALA . 51.0 mtt 73.36 -56.7 0.65 Allowed 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.058 0.543 . . . . 10.2 111.797 178.809 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.89 -78.63 0.28 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 121.087 -0.578 . . . . 6.05 112.569 -177.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 29' ' ' SER . . . . . . . . . . . . . 22.7 t -165.29 147.25 7.69 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 110.22 -0.289 . . . . 4.57 110.22 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 30' ' ' ARG . . . . . . . . . . . . . 19.1 ptt180 -96.41 140.57 30.88 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 109.346 -0.613 . . . . 7.76 109.346 175.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 31' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -96.54 140.59 30.95 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.368 -0.605 . . . . 3.39 109.368 178.369 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 32' ' ' THR . . . . . 0.475 ' O ' ' HB2' ' S' ' 36' ' ' LYS . 6.0 p -113.15 21.83 14.94 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 121.512 0.672 . . . . 1.79 109.478 175.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 27.1 ttt -85.97 -54.44 4.49 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.427 -0.806 . . . . 2.01 110.595 -179.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 34' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -96.9 1.15 50.16 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.875 -0.602 . . . . 1.16 110.998 -174.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 35' ' ' THR . . . . . 0.445 ' O ' ' HA ' ' S' ' 82' ' ' THR . 25.0 p -110.4 4.48 20.66 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.401 0.619 . . . . 1.22 109.933 -178.526 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 36' ' ' LYS . . . . . 0.475 ' HB2' ' O ' ' S' ' 32' ' ' THR . 76.9 tttt -102.18 102.77 13.24 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.078 -0.965 . . . . 2.47 110.852 -173.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 37' ' ' ILE . . . . . . . . . . . . . 66.9 mt -97.42 136.03 29.67 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-N 115.28 -0.873 . . . . 1.18 110.703 -178.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 38' ' ' PHE . . . . . 0.403 ' HD1' ' CE1' ' S' ' 80' ' ' PHE . 84.9 t80 -98.35 126.88 44.04 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.177 -0.675 . . . . 0.57 109.177 175.362 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 39' ' ' VAL . . . . . . . . . . . . . 20.5 t -120.23 96.37 4.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 120.946 0.403 . . . . 1.01 110.356 177.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 40' ' ' GLY . . . . . . . . . . . . . . . -109.5 170.47 14.42 Favored Glycine 0 N--CA 1.449 -0.5 0 N-CA-C 110.927 -0.869 . . . . 0.27 110.927 177.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 41' ' ' GLY . . . . . . . . . . . . . . . 88.33 7.61 72.55 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.381 -0.914 . . . . 0.49 112.05 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 42' ' ' LEU . . . . . . . . . . . . . 96.3 mt -74.35 157.36 86.56 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-N 115.775 -0.213 . . . . 1.11 110.462 -179.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 43' ' ' PRO . . . . . 0.475 ' HG2' ' HB3' ' S' ' 101' ' ' ASP . 44.9 Cg_exo -58.15 152.32 53.17 Favored 'Trans proline' 0 N--CA 1.459 -0.512 0 C-N-CA 122.333 2.022 . . . . 0.62 111.33 169.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 44' ' ' TYR . . . . . 0.957 ' HH ' ' HZ3' ' S' ' 74' ' ' LYS . 66.5 t80 -59.87 -33.78 72.27 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 112.667 0.617 . . . . 2.81 112.667 -173.813 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 45' ' ' HIS . . . . . . . . . . . . . 10.2 p80 -104.52 25.92 9.65 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.05 0.389 . . . . 3.13 112.05 -172.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 46' ' ' THR . . . . . . . . . . . . . 85.5 m -71.61 123.19 21.94 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.836 0.35 . . . . 1.14 110.083 178.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 47' ' ' SER . . . . . . . . . . . . . 31.5 m -88.11 157.43 18.85 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-O 120.952 0.406 . . . . 0.68 111.134 -177.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 48' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -54.09 -45.7 71.88 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.338 -0.846 . . . . 1.29 111.322 -178.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 49' ' ' LYS . . . . . 0.458 ' O ' ' HB2' ' S' ' 53' ' ' GLU . 13.0 ptmm? -59.46 -32.59 70.37 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-N 116.3 -0.409 . . . . 3.0 111.21 -179.564 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 50' ' ' THR . . . . . . . . . . . . . 40.9 m -71.31 -39.39 71.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.85 0.357 . . . . 1.15 110.974 -177.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 51' ' ' LEU . . . . . 0.616 HD23 ' HA3' ' S' ' 79' ' ' GLY . 47.9 tp -64.11 -47.67 79.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.045 0.45 . . . . 1.23 110.189 176.38 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 52' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -61.15 -44.44 97.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.633 -0.712 . . . . 0.73 110.72 178.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 53' ' ' GLU . . . . . 0.458 ' HB2' ' O ' ' S' ' 49' ' ' LYS . 30.6 tt0 -59.79 -36.39 76.6 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.462 -0.79 . . . . 2.24 111.776 -177.062 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 54' ' ' TYR . . . . . . . . . . . . . 71.3 t80 -76.49 -40.47 50.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.898 0.38 . . . . 1.2 111.161 -178.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 55' ' ' PHE . . . . . 0.58 ' HA ' ' HD2' ' S' ' 58' ' ' PHE . 27.4 m-85 -79.01 -19.49 51.43 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 111.961 0.356 . . . . 0.68 111.961 -177.316 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 56' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -52.2 -25.97 10.48 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.941 -0.572 . . . . 1.47 111.004 176.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 57' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -71.58 -37.93 70.98 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.55 0.69 . . . . 3.67 110.84 -177.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 58' ' ' PHE . . . . . 0.58 ' HD2' ' HA ' ' S' ' 55' ' ' PHE . 87.2 m-85 -75.62 -30.52 59.55 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.914 -1.039 . . . . 0.71 111.697 -175.01 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 59' ' ' GLY . . . . . . . . . . . . . . . 171.53 -163.1 35.73 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.26 -0.971 . . . . 0.51 112.498 178.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 60' ' ' ASP . . . . . 0.981 ' HB3' ' HG2' ' S' ' 84' ' ' LYS . 27.5 t0 -88.68 143.35 26.99 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.02 0.438 . . . . 1.99 110.095 -178.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 61' ' ' ILE . . . . . . . . . . . . . 20.7 mt -121.96 136.53 58.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 115.898 -0.592 . . . . 1.13 110.549 -170.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 62' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -86.64 -36.15 18.95 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.739 -0.384 . . . . 1.91 110.46 177.058 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 63' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -164.79 136.51 4.35 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.499 -0.318 . . . . 1.81 110.567 174.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 64' ' ' ALA . . . . . . . . . . . . . . . -145.12 108.65 4.65 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.657 -0.497 . . . . 1.14 109.657 177.011 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 65' ' ' VAL . . . . . . . . . . . . . 24.3 m -136.4 148.71 27.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 120.946 0.403 . . . . 1.07 111.873 -174.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 66' ' ' VAL . . . . . . . . . . . . . 87.8 t -90.44 116.14 31.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 109.025 -0.732 . . . . 1.07 109.025 172.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 67' ' ' ILE . . . . . . . . . . . . . 46.2 mm -70.06 125.61 28.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.117 -0.492 . . . . 1.19 111.409 -173.075 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 68' ' ' THR . . . . . . . . . . . . . 9.5 p -82.53 138.62 34.24 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.548 -0.751 . . . . 1.27 109.518 175.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 69' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -56.53 136.31 54.32 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-O 121.222 0.534 . . . . 1.75 110.358 -178.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 70' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -78.83 -12.98 60.05 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 116.154 -0.475 . . . . 4.77 111.477 -171.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 71' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -95.19 -56.48 2.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.96 0.409 . . . . 2.82 110.732 177.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 72' ' ' THR . . . . . 0.429 ' O ' ' HB2' ' S' ' 73' ' ' GLN . 38.0 p -86.81 -23.21 25.43 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.959 -0.564 . . . . 2.27 112.353 -174.694 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 73' ' ' GLN . . . . . 0.429 ' HB2' ' O ' ' S' ' 72' ' ' THR . 25.7 mm-40 73.14 11.67 5.06 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.382 0.673 . . . . 2.59 111.111 -176.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 74' ' ' LYS . . . . . 0.957 ' HZ3' ' HH ' ' S' ' 44' ' ' TYR . 3.3 mmmp? -94.28 156.95 16.27 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.44 -0.578 . . . . 3.24 109.44 176.038 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 75' ' ' SER . . . . . . . . . . . . . 15.2 m -56.74 145.55 28.73 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.689 0.28 . . . . 1.54 111.016 -178.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 76' ' ' ARG . . . . . 0.407 ' HB3' ' CE1' ' S' ' 78' ' ' TYR . 81.8 mtt180 -100.49 -3.53 30.62 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.161 0.43 . . . . 2.96 112.161 -179.367 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 77' ' ' GLY . . . . . . . . . . . . . . . 77.16 29.45 56.59 Favored Glycine 0 CA--C 1.521 0.447 0 C-N-CA 120.522 -0.847 . . . . 0.63 113.335 177.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 78' ' ' TYR . . . . . 0.407 ' CE1' ' HB3' ' S' ' 76' ' ' ARG . 22.5 p90 -157.77 157.23 32.99 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.738 -0.468 . . . . 1.05 109.738 174.63 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 79' ' ' GLY . . . . . 0.616 ' HA3' HD23 ' S' ' 51' ' ' LEU . . . -141.04 163.14 26.71 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.303 -0.951 . . . . 0.19 112.36 -179.194 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 80' ' ' PHE . . . . . 0.403 ' CE1' ' HD1' ' S' ' 38' ' ' PHE . 97.3 m-85 -114.66 138.48 50.64 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.786 -0.45 . . . . 0.47 109.786 175.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 81' ' ' VAL . . . . . . . . . . . . . 43.5 t -121.05 125.22 73.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.151 -0.477 . . . . 1.11 110.568 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 82' ' ' THR . . . . . 0.445 ' HA ' ' O ' ' S' ' 35' ' ' THR . 17.1 m -111.38 107.03 16.14 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.213 -0.662 . . . . 1.09 109.213 175.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 83' ' ' MET . . . . . 0.643 ' HG3' ' HA ' ' S' ' 89' ' ' ALA . 93.9 mmm -82.36 158.6 23.31 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.873 -0.603 . . . . 1.13 110.23 -177.539 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 84' ' ' LYS . . . . . 0.981 ' HG2' ' HB3' ' S' ' 60' ' ' ASP . 0.0 OUTLIER -75.34 -22.04 57.91 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.346 -0.388 . . . . 2.79 111.536 -176.378 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' S' S ' 85' ' ' ASP . . . . . 0.552 ' HB2' ' HD3' ' S' ' 84' ' ' LYS . 32.7 t70 -149.72 159.55 44.25 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 110.079 -0.341 . . . . 1.85 110.079 -175.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 86' ' ' ARG . . . . . 0.482 ' O ' ' HG2' ' S' ' 90' ' ' GLU . 60.5 ttt180 -67.5 -38.05 83.73 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 111.88 0.326 . . . . 4.59 111.88 -177.379 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.89 -50.15 74.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.79 0.329 . . . . 1.26 111.25 -174.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 88' ' ' SER . . . . . . . . . . . . . 3.0 p -65.83 -36.22 82.87 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.841 0.353 . . . . 1.26 110.857 177.095 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 89' ' ' ALA . . . . . 0.643 ' HA ' ' HG3' ' S' ' 83' ' ' MET . . . -61.06 -54.92 38.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.995 -0.548 . . . . 1.17 111.8 178.168 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 90' ' ' GLU . . . . . 0.482 ' HG2' ' O ' ' S' ' 86' ' ' ARG . 22.2 pt-20 -71.85 -22.52 61.52 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 121.074 -0.251 . . . . 1.85 110.994 -177.367 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 91' ' ' ARG . . . . . . . . . . . . . 68.6 ttt180 -61.08 -42.9 99.37 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.992 0.425 . . . . 3.45 110.077 173.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.76 -31.95 68.93 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.866 -0.607 . . . . 1.15 110.493 177.124 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 93' ' ' CYS . . . . . . . . . . . . . 44.3 t -75.31 -10.24 59.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.943 -0.571 . . . . 2.24 111.207 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 94' ' ' LYS . . . . . 0.426 ' HB3' ' HE3' ' S' ' 94' ' ' LYS . 24.5 mmmt -64.4 -22.1 66.85 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.642 -0.254 . . . . 3.42 110.983 175.477 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 95' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -114.47 101.04 54.0 Favored Pre-proline 0 C--N 1.327 -0.379 0 N-CA-C 109.505 -0.554 . . . . 2.13 109.505 176.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 96' ' ' PRO . . . . . 0.439 ' O ' ' HA ' ' S' ' 106' ' ' ASN . 67.4 Cg_endo -74.85 -24.89 12.71 Favored 'Trans proline' 0 N--CA 1.46 -0.49 0 C-N-CA 122.509 2.139 . . . . 1.08 113.334 -175.044 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 97' ' ' ASN . . . . . 0.576 ' HA ' ' O ' ' S' ' 105' ' ' ALA . 10.5 m120 -137.97 74.09 44.5 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 120.658 0.266 . . . . 1.08 111.061 -175.104 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 98' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -84.53 156.33 12.28 Favored 'Trans proline' 0 N--CA 1.457 -0.675 0 C-N-CA 122.969 2.446 . . . . 0.76 111.811 177.383 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 99' ' ' ILE . . . . . . . . . . . . . 44.8 mm -90.35 100.73 11.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 116.076 -0.511 . . . . 1.19 110.064 177.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 100' ' ' ILE . . . . . . . . . . . . . 49.6 mt -107.15 116.79 51.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 116.215 -0.448 . . . . 1.18 109.862 179.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 101' ' ' ASP . . . . . 0.475 ' HB3' ' HG2' ' S' ' 43' ' ' PRO . 34.3 t70 59.87 22.63 11.6 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 115.276 -0.875 . . . . 1.4 111.323 177.028 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 102' ' ' GLY . . . . . . . . . . . . . . . 98.55 4.6 57.1 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.695 -0.764 . . . . 0.93 113.306 175.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 103' ' ' ARG . . . . . 0.495 ' HE ' ' HA ' ' S' ' 103' ' ' ARG . 0.0 OUTLIER -123.35 152.81 41.12 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 117.482 0.641 . . . . 3.59 110.799 179.912 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' S' S ' 104' ' ' LYS . . . . . . . . . . . . . 39.5 mtpt -80.11 111.06 16.1 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-N 116.265 -0.425 . . . . 2.58 110.77 175.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 105' ' ' ALA . . . . . 0.576 ' O ' ' HA ' ' S' ' 97' ' ' ASN . . . -93.8 161.83 14.17 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.762 -0.654 . . . . 1.06 110.097 177.032 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 106' ' ' ASN . . . . . 0.439 ' HA ' ' O ' ' S' ' 96' ' ' PRO . 7.3 t30 -117.12 109.68 17.24 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 109.004 -0.739 . . . . 2.54 109.004 176.078 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 107' ' ' VAL . . . . . . . . . . . . . 88.7 t -107.65 126.48 64.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.878 -0.601 . . . . 1.22 110.087 -177.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 108' ' ' ASN . . . . . . . . . . . . . 29.5 p-10 -168.84 170.05 9.44 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.098 -0.501 . . . . 1.76 110.481 177.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 109' ' ' LEU . . . . . 0.428 HD11 ' HE2' ' S' ' 111' ' ' TYR . 92.6 mt -70.78 123.24 21.48 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.208 -0.451 . . . . 1.22 110.151 178.472 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.8 -29.77 70.97 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 113.057 0.762 . . . . 1.25 113.057 -170.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 111' ' ' TYR . . . . . 0.428 ' HE2' HD11 ' S' ' 109' ' ' LEU . 31.4 p90 -73.09 -10.32 59.66 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.983 -0.287 . . . . 1.7 111.407 -175.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 112' ' ' LEU . . . . . . . . . . . . . 91.6 mt -80.89 -32.15 34.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.724 0.297 . . . . 1.6 110.643 179.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 113' ' ' GLY . . . . . . . . . . . . . . . 161.52 71.0 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.292 -0.956 . . . . 2.01 112.69 -179.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 114' ' ' ALA . . . . . . . . . . . . . . . -94.89 118.94 32.61 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.887 0.375 . . . . 1.7 111.205 179.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 115' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -108.65 117.84 53.25 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 116.122 -0.49 . . . . 5.63 110.201 176.519 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 116' ' ' PRO . . . . . 0.567 ' O ' ' HG2' ' S' ' 117' ' ' ARG . 37.6 Cg_exo -58.36 113.29 1.48 Allowed 'Trans proline' 0 N--CA 1.464 -0.223 0 C-N-CA 122.779 2.32 . . . . 3.16 111.58 173.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 117' ' ' ARG . . . . . 0.567 ' HG2' ' O ' ' S' ' 116' ' ' PRO . 12.6 ptm180 56.4 -169.82 0.09 Allowed 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.311 1.044 . . . . 5.14 112.046 -178.847 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 118' ' ' THR . . . . . . . . . . . . . 19.0 p -70.37 108.14 4.1 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.958 -0.564 . . . . 6.65 111.176 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 119' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -94.06 10.05 35.21 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.357 0.598 . . . . 7.34 109.948 176.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 120' ' ' VAL . . . . . . . . . . . . . 32.1 m -101.73 -179.08 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.472 -0.786 . . . . 9.17 110.843 -177.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 121' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 . . . . . 0 C--O 1.245 0.835 0 CA-C-O 118.987 -0.53 . . . . 11.88 110.539 -179.434 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' S' S ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.743 0 N-CA-C 111.724 -0.55 . . . . 11.27 111.724 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' S' S ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.18 -28.29 63.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.859 0.361 . . . . 9.73 111.08 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 27' ' ' MET . . . . . . . . . . . . . 24.8 ttt -141.77 -64.92 0.43 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.659 -0.496 . . . . 10.2 109.659 177.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 28' ' ' GLY . . . . . . . . . . . . . . . -158.02 105.36 0.27 Allowed Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.859 -0.686 . . . . 6.05 111.834 177.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 29' ' ' SER . . . . . . . . . . . . . 20.8 t -174.29 162.23 3.59 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.25 -0.648 . . . . 4.57 109.25 -179.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 30' ' ' ARG . . . . . . . . . . . . . 32.4 ptt180 -98.04 118.79 35.42 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.949 0.404 . . . . 7.76 110.266 178.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 31' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -75.59 102.58 5.35 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.021 -0.536 . . . . 3.39 110.303 178.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 32' ' ' THR . . . . . 0.409 ' HA ' ' OG1' ' S' ' 35' ' ' THR . 0.7 OUTLIER -79.54 43.61 0.57 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.269 0.557 . . . . 1.79 111.575 -179.525 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 88.3 mtp -82.86 -46.44 13.01 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.979 0.418 . . . . 2.01 110.36 179.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 34' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -97.92 3.46 49.65 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.805 -0.634 . . . . 1.16 111.553 -176.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 35' ' ' THR . . . . . 0.409 ' OG1' ' HA ' ' S' ' 32' ' ' THR . 7.1 p -114.53 -11.79 12.38 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.037 0.446 . . . . 1.22 110.875 -178.396 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 36' ' ' LYS . . . . . . . . . . . . . 73.5 tttt -102.47 115.45 30.61 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.027 -0.533 . . . . 2.47 110.084 -177.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 37' ' ' ILE . . . . . . . . . . . . . 66.9 mt -96.3 131.38 43.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.796 -0.638 . . . . 1.18 110.797 -178.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 38' ' ' PHE . . . . . 0.8 ' HZ ' ' HD3' ' S' ' 116' ' ' PRO . 72.7 t80 -97.17 116.47 29.43 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.577 -0.738 . . . . 0.57 109.147 173.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 39' ' ' VAL . . . . . . . . . . . . . 18.3 t -112.34 109.42 28.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 120.991 0.424 . . . . 1.01 110.657 -178.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 40' ' ' GLY . . . . . . . . . . . . . . . -109.14 168.08 13.2 Favored Glycine 0 N--CA 1.443 -0.891 0 C-N-CA 120.948 -0.644 . . . . 0.27 111.727 178.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.98 17.2 63.6 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.831 -0.699 . . . . 0.49 112.566 179.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 42' ' ' LEU . . . . . . . . . . . . . 92.7 mt -82.1 145.79 53.65 Favored Pre-proline 0 C--N 1.328 -0.362 0 O-C-N 122.796 -0.238 . . . . 1.11 110.433 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 43' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.15 160.19 8.71 Favored 'Trans proline' 0 CA--C 1.532 0.399 0 C-N-CA 122.552 2.168 . . . . 0.62 112.402 175.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 44' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -75.52 1.84 13.19 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 113.389 0.885 . . . . 2.81 113.389 -165.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 45' ' ' HIS . . . . . . . . . . . . . 7.9 p80 -140.83 13.19 2.28 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 121.73 -0.607 . . . . 3.13 110.962 178.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 46' ' ' THR . . . . . . . . . . . . . 86.9 m -76.15 114.82 15.24 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 108.995 -0.743 . . . . 1.14 108.995 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 47' ' ' SER . . . . . . . . . . . . . 50.4 m -97.45 -177.27 3.76 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.185 0.517 . . . . 0.68 111.996 -171.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 48' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -59.88 -38.24 81.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.058 -0.974 . . . . 1.29 111.994 -174.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 49' ' ' LYS . . . . . 0.477 ' HG3' ' N ' ' S' ' 50' ' ' THR . 5.0 ptpp? -59.24 -33.55 71.15 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.876 0.369 . . . . 3.0 110.837 -178.436 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 50' ' ' THR . . . . . 0.477 ' N ' ' HG3' ' S' ' 49' ' ' LYS . 7.9 m -76.6 -47.91 20.87 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.126 -0.488 . . . . 1.15 110.809 -177.205 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 51' ' ' LEU . . . . . . . . . . . . . 21.1 tp -64.22 -42.59 96.5 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.418 -0.355 . . . . 1.23 110.92 -179.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 52' ' ' HIS . . . . . . . . . . . . . 11.2 t-80 -61.36 -52.2 65.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.08 -0.509 . . . . 0.73 110.873 178.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 53' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -60.31 -30.04 69.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 2.24 111.643 -175.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 54' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -74.54 -49.96 19.93 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.395 -0.366 . . . . 1.2 111.469 -179.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 55' ' ' PHE . . . . . 0.428 ' HA ' ' HD2' ' S' ' 58' ' ' PHE . 38.9 m-85 -78.03 -20.77 51.81 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.655 0.613 . . . . 0.68 112.655 -173.396 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 56' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -64.49 -20.7 66.36 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.244 0.545 . . . . 1.47 110.748 -179.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 57' ' ' GLN . . . . . . . . . . . . . 34.0 tp60 -62.7 -32.14 73.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.566 -0.743 . . . . 3.67 110.711 173.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 58' ' ' PHE . . . . . 0.428 ' HD2' ' HA ' ' S' ' 55' ' ' PHE . 85.6 m-85 -89.0 -12.23 42.0 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.818 0.342 . . . . 0.71 111.035 -177.034 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 59' ' ' GLY . . . . . . . . . . . . . . . 160.94 167.92 22.08 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.693 -0.765 . . . . 0.51 112.095 179.003 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 60' ' ' ASP . . . . . 0.628 ' HB2' ' HD2' ' S' ' 84' ' ' LYS . 3.6 m-20 -68.02 144.84 54.96 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 110.143 -0.318 . . . . 1.99 110.143 -179.387 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 61' ' ' ILE . . . . . . . . . . . . . 75.3 mt -118.71 139.28 46.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.996 0.427 . . . . 1.13 111.493 -172.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 62' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -76.65 -55.61 5.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.003 -0.544 . . . . 1.91 110.148 173.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 63' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -161.94 120.71 2.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.682 -0.69 . . . . 1.81 110.489 -176.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 64' ' ' ALA . . . . . 0.484 ' HA ' ' O ' ' S' ' 80' ' ' PHE . . . -126.18 110.17 13.17 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.935 -0.575 . . . . 1.14 110.617 178.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 65' ' ' VAL . . . . . . . . . . . . . 33.9 m -131.16 142.96 42.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.824 0.345 . . . . 1.07 111.017 -177.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 66' ' ' VAL . . . . . 0.479 HG11 ' O ' ' S' ' 78' ' ' TYR . 94.3 t -95.49 123.03 47.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 108.616 -0.883 . . . . 1.07 108.616 172.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 67' ' ' ILE . . . . . . . . . . . . . 49.3 mm -68.97 126.72 29.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.048 -0.524 . . . . 1.19 111.48 -170.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 68' ' ' THR . . . . . . . . . . . . . 4.7 p -99.93 131.84 45.65 Favored 'General case' 0 N--CA 1.443 -0.817 0 CA-C-N 115.349 -0.842 . . . . 1.27 109.39 176.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 69' ' ' ASP . . . . . 0.491 ' HB3' ' OG1' ' S' ' 72' ' ' THR . 28.3 t70 -64.25 148.18 50.74 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.322 -0.399 . . . . 1.75 110.904 -176.357 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 70' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 -73.35 -22.75 60.22 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.187 -0.46 . . . . 4.77 111.629 -174.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 71' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -94.85 -52.02 4.44 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.505 -0.316 . . . . 2.82 111.07 -178.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 72' ' ' THR . . . . . 0.491 ' OG1' ' HB3' ' S' ' 69' ' ' ASP . 39.9 p -82.78 -23.75 33.74 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.347 -0.388 . . . . 2.27 111.75 -176.298 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 73' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 58.64 30.5 19.97 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 121.315 0.579 . . . . 2.59 111.316 -177.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 74' ' ' LYS . . . . . . . . . . . . . 58.8 mttp -124.95 168.56 13.13 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.321 -0.854 . . . . 3.24 109.913 178.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 75' ' ' SER . . . . . . . . . . . . . 37.1 m -60.41 130.84 48.62 Favored 'General case' 0 C--N 1.329 -0.316 0 O-C-N 123.735 0.647 . . . . 1.54 111.388 -177.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 76' ' ' ARG . . . . . 0.518 ' HD3' ' HH ' ' S' ' 78' ' ' TYR . 86.4 mtt180 -84.82 6.64 23.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.008 0.432 . . . . 2.96 111.162 176.391 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 77' ' ' GLY . . . . . . . . . . . . . . . 81.41 17.41 71.36 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.503 -0.856 . . . . 0.63 112.902 175.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 78' ' ' TYR . . . . . 0.518 ' HH ' ' HD3' ' S' ' 76' ' ' ARG . 22.1 p90 -152.48 153.97 34.57 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 110.022 -0.362 . . . . 1.05 110.022 176.588 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 79' ' ' GLY . . . . . . . . . . . . . . . -142.5 165.08 26.86 Favored Glycine 0 N--CA 1.445 -0.735 0 C-N-CA 120.807 -0.711 . . . . 0.19 112.0 179.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 80' ' ' PHE . . . . . 0.484 ' O ' ' HA ' ' S' ' 64' ' ' ALA . 88.9 m-85 -117.67 134.93 54.37 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.899 -0.408 . . . . 0.47 109.899 178.599 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 81' ' ' VAL . . . . . 0.469 HG11 ' HB3' ' S' ' 64' ' ' ALA . 48.4 t -123.17 109.16 22.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.324 -0.398 . . . . 1.11 110.578 -179.791 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 82' ' ' THR . . . . . . . . . . . . . 20.8 m -90.91 112.77 24.76 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 109.233 -0.654 . . . . 1.09 109.233 177.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 83' ' ' MET . . . . . 0.546 ' HG3' ' HA ' ' S' ' 89' ' ' ALA . 94.6 mmm -85.23 165.09 17.65 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 123.366 0.416 . . . . 1.13 110.629 -177.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 84' ' ' LYS . . . . . 0.628 ' HD2' ' HB2' ' S' ' 60' ' ' ASP . 13.8 ptmm? -63.42 -41.55 98.71 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.876 -0.602 . . . . 2.79 110.963 179.127 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 85' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -137.88 170.36 16.19 Favored 'General case' 0 CA--C 1.511 -0.541 0 CA-C-N 115.437 -0.801 . . . . 1.85 110.162 -175.073 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 86' ' ' ARG . . . . . . . . . . . . . 36.4 ptt180 -74.38 -22.98 58.93 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.468 -0.787 . . . . 4.59 109.752 173.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 87' ' ' ALA . . . . . . . . . . . . . . . -75.83 -38.98 57.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 1.26 110.899 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 88' ' ' SER . . . . . 0.538 ' HG ' ' HB3' ' S' ' 83' ' ' MET . 29.5 p -70.61 -39.41 73.77 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.261 -0.644 . . . . 1.26 109.261 175.47 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 89' ' ' ALA . . . . . 0.546 ' HA ' ' HG3' ' S' ' 83' ' ' MET . . . -56.56 -49.05 75.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.163 -0.926 . . . . 1.17 111.053 174.081 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 90' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -55.94 -41.61 74.92 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 116.338 -0.392 . . . . 1.85 111.394 177.122 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 91' ' ' ARG . . . . . . . . . . . . . 37.4 ttp180 -68.26 -22.97 64.72 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.347 -0.388 . . . . 3.45 110.792 -177.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 92' ' ' ALA . . . . . . . . . . . . . . . -89.69 -32.27 17.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.175 -0.466 . . . . 1.15 111.024 176.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 93' ' ' CYS . . . . . . . . . . . . . 52.4 m -93.79 7.89 43.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.172 0.51 . . . . 2.24 110.892 -178.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 94' ' ' LYS . . . . . . . . . . . . . 14.2 tppt? -67.94 -11.57 59.05 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.747 -0.66 . . . . 3.42 110.969 179.062 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 95' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -129.13 115.39 18.73 Favored Pre-proline 0 C--N 1.323 -0.573 0 N-CA-C 108.903 -0.777 . . . . 2.13 108.903 171.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 96' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -69.55 -25.58 29.45 Favored 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 122.433 2.089 . . . . 1.08 113.389 -175.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 97' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -136.31 75.34 52.69 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-O 120.611 0.243 . . . . 1.08 111.47 -175.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 98' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -87.94 161.2 7.44 Favored 'Trans proline' 0 N--CA 1.452 -0.964 0 C-N-CA 122.61 2.207 . . . . 0.76 111.62 176.114 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 99' ' ' ILE . . . . . . . . . . . . . 52.0 mm -90.81 107.34 18.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.132 -0.485 . . . . 1.19 110.247 178.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 100' ' ' ILE . . . . . . . . . . . . . 47.6 mt -112.74 116.76 53.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.908 -0.587 . . . . 1.18 110.238 -177.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 101' ' ' ASP . . . . . . . . . . . . . 24.8 t0 63.55 26.12 14.62 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.858 0.837 . . . . 1.4 110.544 175.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 102' ' ' GLY . . . . . . . . . . . . . . . 88.43 10.16 68.42 Favored Glycine 0 N--CA 1.449 -0.444 0 CA-C-N 115.587 -0.733 . . . . 0.93 112.619 178.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 103' ' ' ARG . . . . . . . . . . . . . 3.6 tpt180 -127.92 140.34 52.06 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.66 0.267 . . . . 3.59 110.492 -177.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 104' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -78.49 111.68 14.78 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 110.011 -0.366 . . . . 2.58 110.011 176.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 105' ' ' ALA . . . . . . . . . . . . . . . -106.88 165.71 11.13 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.011 -0.54 . . . . 1.06 111.178 -175.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 106' ' ' ASN . . . . . . . . . . . . . 62.4 m-80 -112.0 118.08 34.46 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.932 -0.576 . . . . 2.54 109.673 177.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 107' ' ' VAL . . . . . . . . . . . . . 55.9 t -109.13 128.26 65.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.299 -0.41 . . . . 1.22 110.61 -177.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 108' ' ' ASN . . . . . . . . . . . . . 58.6 t30 -160.17 164.31 32.98 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.655 -0.498 . . . . 1.76 109.655 -178.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 109' ' ' LEU . . . . . . . . . . . . . 97.6 mt -75.03 143.81 43.35 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 120.675 0.274 . . . . 1.22 110.627 178.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.5 -26.55 68.61 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.886 0.699 . . . . 1.25 112.886 -173.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 111' ' ' TYR . . . . . . . . . . . . . 7.2 p90 -79.9 -5.54 55.75 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.388 -0.525 . . . . 1.7 110.392 -178.306 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 112' ' ' LEU . . . . . . . . . . . . . 97.9 mt -112.97 -0.43 14.79 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.119 -0.491 . . . . 1.6 110.6 177.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 113' ' ' GLY . . . . . . . . . . . . . . . -178.6 123.34 0.86 Allowed Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 121.015 -0.612 . . . . 2.01 111.922 -178.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 114' ' ' ALA . . . . . . . . . . . . . . . -113.24 -176.79 2.98 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 110.509 -0.182 . . . . 1.7 110.509 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.22 126.11 44.09 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-O 121.206 0.526 . . . . 5.63 111.613 -175.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 116' ' ' PRO . . . . . 0.8 ' HD3' ' HZ ' ' S' ' 38' ' ' PHE . 72.4 Cg_endo -80.94 72.51 6.49 Favored 'Trans proline' 0 N--CA 1.459 -0.533 0 C-N-CA 122.903 2.402 . . . . 3.16 112.581 -173.259 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 117' ' ' ARG . . . . . 0.657 ' HA ' ' NE ' ' S' ' 117' ' ' ARG . 1.5 mmp_? -126.05 6.54 7.22 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.268 -0.424 . . . . 5.14 111.631 -179.642 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 118' ' ' THR . . . . . . . . . . . . . 9.3 m -111.47 104.54 12.97 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.92 -0.4 . . . . 6.65 109.92 178.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 119' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -105.23 93.83 4.9 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.056 0.455 . . . . 7.34 111.256 -179.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 120' ' ' VAL . . . . . . . . . . . . . 44.2 t -112.96 87.01 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 N-CA-C 108.896 -0.779 . . . . 9.17 108.896 172.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 121' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 . . . . . 0 C--O 1.249 1.062 0 O-C-N 124.172 0.92 . . . . 11.88 110.745 -177.405 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' S' S ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.636 0 N-CA-C 111.829 -0.508 . . . . 11.27 111.829 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' S' S ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.2 -41.56 99.18 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.733 0.301 . . . . 9.73 111.476 -179.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 27' ' ' MET . . . . . . . . . . . . . 26.4 ptt? -98.55 160.51 14.23 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.259 -0.428 . . . . 10.2 110.646 -178.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 28' ' ' GLY . . . . . . . . . . . . . . . 139.83 -172.14 23.51 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.945 -0.645 . . . . 6.05 111.784 177.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 29' ' ' SER . . . . . . . . . . . . . 5.0 t -144.24 -62.79 0.38 Allowed 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.383 -0.599 . . . . 4.57 109.383 178.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 30' ' ' ARG . . . . . . . . . . . . . 12.2 ptt180 -125.76 103.06 7.61 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.291 0.567 . . . . 7.76 109.98 174.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 31' ' ' ASP . . . . . . . . . . . . . 20.6 p-10 -86.77 -2.58 58.67 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.964 -0.562 . . . . 3.39 111.039 -175.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 32' ' ' THR . . . . . . . . . . . . . 21.0 p -74.54 4.42 6.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.914 -0.585 . . . . 1.79 111.82 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 54.7 ttp -63.67 -24.35 67.75 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.016 0.436 . . . . 2.01 110.957 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 34' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -106.18 5.9 30.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.193 -0.458 . . . . 1.16 111.727 -178.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 35' ' ' THR . . . . . 0.541 ' HB ' ' O ' ' S' ' 83' ' ' MET . 69.2 p -123.06 -17.0 6.84 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.318 0.58 . . . . 1.22 110.365 -178.002 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 36' ' ' LYS . . . . . . . . . . . . . 49.7 tttm -87.22 104.06 16.02 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.217 -0.901 . . . . 2.47 109.673 178.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 37' ' ' ILE . . . . . 0.434 HG12 HD21 ' S' ' 109' ' ' LEU . 42.4 mt -96.7 143.73 11.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.576 -0.738 . . . . 1.18 111.271 -177.104 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 38' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -100.61 129.02 46.48 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.013 -0.539 . . . . 0.57 109.792 176.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 39' ' ' VAL . . . . . 0.573 HG11 HG23 ' S' ' 107' ' ' VAL . 21.7 t -122.3 101.45 9.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 109.916 -0.401 . . . . 1.01 109.916 179.431 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 40' ' ' GLY . . . . . . . . . . . . . . . -108.72 167.52 13.12 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.492 -0.861 . . . . 0.27 111.881 -178.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 41' ' ' GLY . . . . . . . . . . . . . . . 86.08 15.53 64.7 Favored Glycine 0 N--CA 1.453 -0.18 0 C-N-CA 120.819 -0.705 . . . . 0.49 112.273 177.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 42' ' ' LEU . . . . . . . . . . . . . 97.1 mt -80.87 155.56 72.94 Favored Pre-proline 0 C--N 1.323 -0.549 0 N-CA-C 110.263 -0.273 . . . . 1.11 110.263 -178.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 43' ' ' PRO . . . . . 0.684 ' HG3' ' HG2' ' S' ' 103' ' ' ARG . 6.7 Cg_exo -70.95 165.53 32.01 Favored 'Trans proline' 0 N--CA 1.455 -0.792 0 C-N-CA 122.301 2.001 . . . . 0.62 111.4 172.739 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 44' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -78.95 -5.41 53.68 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.217 0.532 . . . . 2.81 109.928 -178.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 45' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 -90.74 -11.99 37.93 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.039 -0.982 . . . . 3.13 109.831 -176.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 46' ' ' THR . . . . . 0.584 ' OG1' ' HD2' ' S' ' 43' ' ' PRO . 43.3 m -78.72 117.03 19.47 Favored 'General case' 0 N--CA 1.44 -0.949 0 CA-C-N 115.958 -0.564 . . . . 1.14 110.201 -173.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 47' ' ' SER . . . . . . . . . . . . . 6.3 m -94.33 169.46 10.21 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.218 -0.446 . . . . 0.68 110.431 -178.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 48' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -56.0 -42.63 76.71 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.277 0.56 . . . . 1.29 109.951 178.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 49' ' ' LYS . . . . . . . . . . . . . 46.7 pttt -58.37 -35.52 72.1 Favored 'General case' 0 C--O 1.225 -0.216 0 CA-C-N 115.227 -0.897 . . . . 3.0 111.245 176.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 50' ' ' THR . . . . . . . . . . . . . 19.1 m -73.19 -44.16 60.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.413 -0.358 . . . . 1.15 110.847 -175.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 51' ' ' LEU . . . . . 0.521 HD23 ' HA3' ' S' ' 79' ' ' GLY . 34.0 tp -58.51 -44.35 89.43 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 120.942 0.401 . . . . 1.23 109.943 175.496 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 52' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -62.75 -51.99 64.96 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.842 -0.617 . . . . 0.73 110.678 177.515 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 53' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -54.9 -41.63 71.18 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.679 -0.691 . . . . 2.24 111.715 -176.128 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 54' ' ' TYR . . . . . 0.448 ' O ' ' HG2' ' S' ' 57' ' ' GLN . 87.1 t80 -70.26 -43.38 70.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.774 0.321 . . . . 1.2 111.684 -177.73 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 55' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -83.53 -19.36 35.82 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 111.921 0.341 . . . . 0.68 111.921 -175.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 56' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -52.35 -27.78 16.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.87 -0.605 . . . . 1.47 111.643 177.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 57' ' ' GLN . . . . . 0.448 ' HG2' ' O ' ' S' ' 54' ' ' TYR . 16.4 mm-40 -61.34 -35.12 76.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.531 0.681 . . . . 3.67 110.586 -177.742 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 58' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -83.54 -33.69 25.42 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.32 -0.855 . . . . 0.71 112.544 -173.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 59' ' ' GLY . . . . . . . . . . . . . . . 173.72 -175.02 46.39 Favored Glycine 0 C--O 1.229 -0.173 0 C-N-CA 119.914 -1.136 . . . . 0.51 113.041 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 60' ' ' ASP . . . . . 0.761 ' HB2' ' HG2' ' S' ' 84' ' ' LYS . 3.5 m-20 -67.67 141.48 56.67 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-O 120.821 0.343 . . . . 1.99 110.559 -178.558 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 61' ' ' ILE . . . . . 0.523 HG22 ' HB3' ' S' ' 64' ' ' ALA . 60.1 mt -120.66 128.85 76.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.805 -0.634 . . . . 1.13 110.607 -178.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 62' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -79.11 -49.6 12.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.174 -0.466 . . . . 1.91 110.078 177.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 63' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -146.05 127.37 14.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.866 -0.606 . . . . 1.81 110.582 -177.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 64' ' ' ALA . . . . . 0.523 ' HB3' HG22 ' S' ' 61' ' ' ILE . . . -139.31 107.43 5.74 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.862 -0.422 . . . . 1.14 109.862 177.446 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 65' ' ' VAL . . . . . . . . . . . . . 29.9 m -136.87 149.86 26.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.137 -0.483 . . . . 1.07 111.284 -177.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 66' ' ' VAL . . . . . . . . . . . . . 99.4 t -103.84 111.84 35.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 109.001 -0.74 . . . . 1.07 109.001 174.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 67' ' ' ILE . . . . . . . . . . . . . 47.3 mm -69.06 128.18 32.12 Favored 'Isoleucine or valine' 0 C--O 1.238 0.499 0 CA-C-N 115.994 -0.548 . . . . 1.19 112.076 -168.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 68' ' ' THR . . . . . . . . . . . . . 15.3 p -99.63 160.98 13.89 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.589 -0.732 . . . . 1.27 109.803 174.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 69' ' ' ASP . . . . . 0.465 ' O ' ' HA ' ' S' ' 73' ' ' GLN . 23.9 t70 -84.88 150.24 25.12 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.962 -0.384 . . . . 1.75 109.962 178.454 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 70' ' ' ARG . . . . . . . . . . . . . 22.2 mtm180 -78.73 -32.58 46.86 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.933 -0.307 . . . . 4.77 111.604 -175.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 71' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -86.96 -34.27 19.36 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.669 0.271 . . . . 2.82 111.27 -174.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 72' ' ' THR . . . . . 0.429 ' OG1' ' HB3' ' S' ' 69' ' ' ASP . 60.1 p -99.25 -26.21 14.25 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.868 -0.333 . . . . 2.27 111.235 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 73' ' ' GLN . . . . . 0.465 ' HA ' ' O ' ' S' ' 69' ' ' ASP . 15.9 mm-40 61.02 23.35 13.52 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.731 -0.668 . . . . 2.59 111.633 -176.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 74' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -103.88 158.76 16.18 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.638 -0.71 . . . . 3.24 109.239 175.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 75' ' ' SER . . . . . . . . . . . . . 1.7 p -66.28 132.61 48.79 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.786 0.326 . . . . 1.54 110.825 179.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 76' ' ' ARG . . . . . 0.532 ' HD2' ' HE1' ' S' ' 78' ' ' TYR . 92.0 mtt180 -79.64 -17.38 53.9 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.284 -0.416 . . . . 2.96 110.583 -178.391 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 77' ' ' GLY . . . . . . . . . . . . . . . 97.53 30.7 7.13 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.91 -0.662 . . . . 0.63 112.696 178.124 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 78' ' ' TYR . . . . . 0.532 ' HE1' ' HD2' ' S' ' 76' ' ' ARG . 19.0 p90 -161.06 156.93 25.31 Favored 'General case' 0 C--N 1.329 -0.318 0 O-C-N 122.574 -0.368 . . . . 1.05 110.134 177.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 79' ' ' GLY . . . . . 0.521 ' HA3' HD23 ' S' ' 51' ' ' LEU . . . -142.29 171.08 24.78 Favored Glycine 0 N--CA 1.447 -0.577 0 CA-C-N 115.972 -0.558 . . . . 0.19 112.172 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 80' ' ' PHE . . . . . 0.47 ' CE2' ' HE2' ' S' ' 78' ' ' TYR . 91.0 m-85 -120.25 135.72 54.9 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 110.393 -0.225 . . . . 0.47 110.393 176.419 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 81' ' ' VAL . . . . . . . . . . . . . 58.8 t -120.65 107.91 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 109.924 -0.399 . . . . 1.11 109.924 177.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 82' ' ' THR . . . . . . . . . . . . . 10.6 m -97.1 107.99 20.63 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 109.179 -0.674 . . . . 1.09 109.179 177.054 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 83' ' ' MET . . . . . 0.69 ' SD ' ' HA ' ' S' ' 89' ' ' ALA . 52.6 mtp -91.41 162.1 14.72 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.956 -0.387 . . . . 1.13 109.956 -178.276 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 84' ' ' LYS . . . . . 0.905 ' HD2' ' HB3' ' S' ' 85' ' ' ASP . 0.0 OUTLIER -72.02 -16.22 62.05 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 113.186 0.81 . . . . 2.79 113.186 -170.343 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' S' S ' 85' ' ' ASP . . . . . 0.905 ' HB3' ' HD2' ' S' ' 84' ' ' LYS . 0.0 OUTLIER -157.2 160.65 38.92 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.629 0.252 . . . . 1.85 110.721 -177.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' S' S ' 86' ' ' ARG . . . . . 0.493 ' O ' ' HG3' ' S' ' 90' ' ' GLU . 17.9 ttp180 -65.67 -41.22 92.75 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.917 -0.583 . . . . 4.59 111.429 -175.49 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.18 -45.1 93.33 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 120.759 0.314 . . . . 1.26 111.076 -175.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 88' ' ' SER . . . . . . . . . . . . . 8.8 p -66.86 -38.74 86.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 1.26 110.651 176.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 89' ' ' ALA . . . . . 0.69 ' HA ' ' SD ' ' S' ' 83' ' ' MET . . . -60.07 -45.73 91.92 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 116.195 -0.457 . . . . 1.17 110.751 177.074 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 90' ' ' GLU . . . . . 0.57 ' O ' ' HG2' ' S' ' 94' ' ' LYS . 52.0 mt-10 -65.86 -31.89 73.09 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 116.334 -0.394 . . . . 1.85 110.31 178.474 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 91' ' ' ARG . . . . . . . . . . . . . 44.6 ttt180 -62.21 -32.42 73.08 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.709 -0.478 . . . . 3.45 109.709 177.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 92' ' ' ALA . . . . . . . . . . . . . . . -84.32 -33.98 23.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.823 -0.626 . . . . 1.15 110.425 177.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 93' ' ' CYS . . . . . . . . . . . . . 18.2 t -80.63 1.18 30.97 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.729 -0.668 . . . . 2.24 111.084 -178.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 94' ' ' LYS . . . . . 0.57 ' HG2' ' O ' ' S' ' 90' ' ' GLU . 37.4 mmtm -67.29 -16.05 64.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.318 -0.401 . . . . 3.42 111.457 175.538 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 95' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -122.03 96.38 46.73 Favored Pre-proline 0 C--N 1.324 -0.502 0 N-CA-C 109.363 -0.606 . . . . 2.13 109.363 177.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 96' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -74.52 -29.7 8.84 Favored 'Trans proline' 0 N--CA 1.463 -0.286 0 C-N-CA 122.531 2.154 . . . . 1.08 113.383 -174.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 97' ' ' ASN . . . . . 0.538 ' HA ' ' O ' ' S' ' 105' ' ' ALA . 14.3 m120 -126.43 70.7 70.92 Favored Pre-proline 0 C--O 1.235 0.312 0 CA-C-O 120.781 0.324 . . . . 1.08 111.344 -177.675 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 98' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_endo -85.4 165.23 10.9 Favored 'Trans proline' 0 N--CA 1.454 -0.822 0 C-N-CA 123.128 2.552 . . . . 0.76 112.327 -178.438 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 99' ' ' ILE . . . . . . . . . . . . . 45.1 mm -96.91 102.89 14.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 N-CA-C 109.26 -0.645 . . . . 1.19 109.26 175.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 100' ' ' ILE . . . . . . . . . . . . . 56.8 mt -118.54 115.61 48.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.366 -0.379 . . . . 1.18 110.568 -175.206 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 101' ' ' ASP . . . . . 0.456 ' HB3' ' HG2' ' S' ' 43' ' ' PRO . 24.1 t0 63.78 20.52 12.26 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 115.46 -0.791 . . . . 1.4 110.63 173.474 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 102' ' ' GLY . . . . . . . . . . . . . . . 107.76 -17.46 35.83 Favored Glycine 0 C--N 1.332 0.308 0 CA-C-N 115.688 -0.687 . . . . 0.93 113.33 176.116 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 103' ' ' ARG . . . . . 0.684 ' HG2' ' HG3' ' S' ' 43' ' ' PRO . 27.0 mmm180 -108.47 148.24 30.5 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 117.12 0.46 . . . . 3.59 111.211 -179.566 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 104' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm -80.58 113.64 18.91 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.029 -0.73 . . . . 2.58 109.029 171.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 105' ' ' ALA . . . . . 0.538 ' O ' ' HA ' ' S' ' 97' ' ' ASN . . . -93.61 165.41 12.74 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.587 -0.733 . . . . 1.06 111.031 -174.533 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 106' ' ' ASN . . . . . . . . . . . . . 40.2 t-20 -117.85 108.75 15.71 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.524 -0.917 . . . . 2.54 108.524 174.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 107' ' ' VAL . . . . . 0.573 HG23 HG11 ' S' ' 39' ' ' VAL . 48.5 t -106.41 126.51 62.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.914 -0.584 . . . . 1.22 110.088 -177.463 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 108' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -160.3 147.6 16.13 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.018 -0.537 . . . . 1.76 109.669 -177.086 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 109' ' ' LEU . . . . . 0.434 HD21 HG12 ' S' ' 37' ' ' ILE . 93.2 mt -57.38 135.15 56.52 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.843 0.354 . . . . 1.22 110.633 -179.572 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 110' ' ' ALA . . . . . 0.58 ' HA ' ' O ' ' S' ' 113' ' ' GLY . . . -68.13 -11.32 58.94 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 113.716 1.006 . . . . 1.25 113.716 -167.45 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 111' ' ' TYR . . . . . . . . . . . . . 21.7 p90 -85.71 -10.02 56.29 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.028 -0.669 . . . . 1.7 110.07 177.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 112' ' ' LEU . . . . . . . . . . . . . 97.1 mt -107.18 -47.32 3.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.661 -0.7 . . . . 1.6 109.719 175.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 113' ' ' GLY . . . . . 0.58 ' O ' ' HA ' ' S' ' 110' ' ' ALA . . . -116.9 127.54 7.48 Favored Glycine 0 N--CA 1.447 -0.614 0 N-CA-C 111.076 -0.81 . . . . 2.01 111.076 176.672 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 114' ' ' ALA . . . . . . . . . . . . . . . -128.82 -176.07 3.73 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.734 0.302 . . . . 1.7 111.388 -174.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 115' ' ' LYS . . . . . 0.577 ' HE3' ' HA ' ' S' ' 118' ' ' THR . 56.3 pttt -50.78 127.83 26.35 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 115.399 -0.819 . . . . 5.63 111.338 -177.519 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 116' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -54.23 -49.86 15.54 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 123.115 2.544 . . . . 3.16 111.933 -178.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 117' ' ' ARG . . . . . 0.476 ' HD2' ' HD3' ' S' ' 76' ' ' ARG . 16.8 ptp180 -85.62 78.14 9.69 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.122 -0.945 . . . . 5.14 108.999 173.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 118' ' ' THR . . . . . 0.577 ' HA ' ' HE3' ' S' ' 115' ' ' LYS . 0.5 OUTLIER -79.09 -77.16 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.467 -0.788 . . . . 6.65 110.646 -175.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' S' S ' 119' ' ' ASN . . . . . 0.413 ' H ' ' HB ' ' S' ' 118' ' ' THR . 10.5 p30 -174.23 149.36 1.39 Allowed 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.328 -0.99 . . . . 7.34 108.328 176.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 120' ' ' VAL . . . . . . . . . . . . . 27.6 m -109.63 168.46 3.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 121.161 0.505 . . . . 9.17 111.439 -176.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 121' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 . . . . . 0 C--O 1.247 0.968 0 CA-C-N 115.632 -0.713 . . . . 11.88 109.112 177.276 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' S' S ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.78 0 N-CA-C 112.067 -0.413 . . . . 11.27 112.067 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' S' S ' 26' ' ' ALA . . . . . . . . . . . . . . . 66.61 -73.98 0.07 Allowed 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 123.511 0.724 . . . . 9.73 111.219 -177.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 27' ' ' MET . . . . . . . . . . . . . 66.3 mtt -138.8 -82.68 0.29 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.237 0.541 . . . . 10.2 109.889 179.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 28' ' ' GLY . . . . . . . . . . . . . . . 171.2 144.96 4.61 Favored Glycine 0 N--CA 1.444 -0.827 0 N-CA-C 111.211 -0.756 . . . . 6.05 111.211 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 29' ' ' SER . . . . . 0.627 ' HB2' HG22 ' S' ' 32' ' ' THR . 28.9 p -157.54 143.86 17.78 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.903 0.351 . . . . 4.57 110.338 -179.294 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 30' ' ' ARG . . . . . . . . . . . . . 60.0 mtm180 -103.96 121.82 43.93 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.08 -0.509 . . . . 7.76 111.599 -172.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 31' ' ' ASP . . . . . 0.494 ' OD2' ' HD2' ' S' ' 86' ' ' ARG . 4.5 m-20 56.48 19.49 4.17 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.897 0.879 . . . . 3.39 112.408 176.597 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 32' ' ' THR . . . . . 0.627 HG22 ' HB2' ' S' ' 29' ' ' SER . 2.3 p -67.53 -32.86 73.94 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 112.201 0.445 . . . . 1.79 112.201 -175.273 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 60.6 mtm -61.31 -27.61 68.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.435 -0.348 . . . . 2.01 111.168 -179.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 34' ' ' PHE . . . . . 0.448 ' HB2' ' HG2' ' S' ' 86' ' ' ARG . 29.9 m-85 -109.27 19.18 19.7 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.312 -0.404 . . . . 1.16 111.39 -176.627 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 35' ' ' THR . . . . . 0.462 ' O ' ' HA ' ' S' ' 82' ' ' THR . 7.2 p -132.31 -36.66 1.12 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.68 0.276 . . . . 1.22 111.086 178.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 36' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -83.97 103.48 13.26 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.398 0.618 . . . . 2.47 110.562 178.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 37' ' ' ILE . . . . . . . . . . . . . 55.3 mt -96.69 145.53 8.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.58 -0.736 . . . . 1.18 110.84 -177.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 38' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -99.26 123.35 43.47 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.927 -0.579 . . . . 0.57 109.789 176.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 39' ' ' VAL . . . . . . . . . . . . . 26.1 t -119.28 108.91 24.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 120.699 0.285 . . . . 1.01 110.58 -179.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 40' ' ' GLY . . . . . . . . . . . . . . . -106.39 161.39 14.15 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 121.0 -0.619 . . . . 0.27 111.693 179.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 41' ' ' GLY . . . . . . . . . . . . . . . 96.5 24.9 12.89 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.445 -0.884 . . . . 0.49 112.227 177.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 42' ' ' LEU . . . . . 0.42 ' O ' ' HA2' ' S' ' 77' ' ' GLY . 90.4 mt -91.66 136.57 26.39 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-O 120.807 0.337 . . . . 1.11 110.241 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 43' ' ' PRO . . . . . 0.452 ' HD2' ' OG1' ' S' ' 46' ' ' THR . 34.1 Cg_exo -60.42 163.09 15.8 Favored 'Trans proline' 0 CA--C 1.534 0.497 0 C-N-CA 122.77 2.313 . . . . 0.62 112.215 173.396 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 44' ' ' TYR . . . . . 0.547 ' HA ' ' HB2' ' S' ' 75' ' ' SER . 23.8 m-85 -76.4 -13.85 60.1 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.898 -0.592 . . . . 2.81 111.925 -172.074 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 45' ' ' HIS . . . . . . . . . . . . . 2.4 p80 -104.45 10.08 35.37 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.16 0.505 . . . . 3.13 110.226 -179.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 46' ' ' THR . . . . . 0.533 HG21 ' HB ' ' S' ' 50' ' ' THR . 96.8 m -85.18 122.01 28.76 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.654 -0.703 . . . . 1.14 110.045 178.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 47' ' ' SER . . . . . . . . . . . . . 6.3 m -103.75 175.53 5.45 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.172 -0.467 . . . . 0.68 111.108 -176.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 48' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -50.93 -44.41 60.26 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.558 -0.747 . . . . 1.29 110.83 177.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 49' ' ' LYS . . . . . . . . . . . . . 7.2 ptpp? -60.91 -34.18 74.28 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.228 -0.896 . . . . 3.0 111.964 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 50' ' ' THR . . . . . 0.533 ' HB ' HG21 ' S' ' 46' ' ' THR . 3.8 m -71.51 -45.88 61.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.06 0.457 . . . . 1.15 110.3 -178.355 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 51' ' ' LEU . . . . . . . . . . . . . 32.6 tp -62.3 -43.72 98.17 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.832 -0.622 . . . . 1.23 110.551 176.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 52' ' ' HIS . . . . . . . . . . . . . 51.5 t-80 -61.46 -44.71 96.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.676 -0.693 . . . . 0.73 110.402 178.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 53' ' ' GLU . . . . . . . . . . . . . 18.4 tp10 -49.04 -49.84 39.24 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.558 -0.747 . . . . 2.24 111.446 178.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 54' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -69.16 -42.71 75.56 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.885 -0.598 . . . . 1.2 111.753 -173.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 55' ' ' PHE . . . . . 0.578 ' HA ' ' HD2' ' S' ' 58' ' ' PHE . 47.6 m-85 -83.47 -20.64 33.64 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.639 0.607 . . . . 0.68 112.639 -173.7 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 56' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -65.88 -18.7 65.51 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 121.371 0.605 . . . . 1.47 109.745 176.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 57' ' ' GLN . . . . . . . . . . . . . 14.2 tp60 -66.71 -32.75 74.26 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.509 -0.769 . . . . 3.67 110.729 172.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 58' ' ' PHE . . . . . 0.578 ' HD2' ' HA ' ' S' ' 55' ' ' PHE . 98.1 m-85 -82.17 -36.66 27.14 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.604 -0.271 . . . . 0.71 110.993 -178.021 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 59' ' ' GLY . . . . . . . . . . . . . . . 167.39 -168.2 40.37 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.584 -0.817 . . . . 0.51 112.794 178.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 60' ' ' ASP . . . . . 0.858 ' HB2' ' HB2' ' S' ' 84' ' ' LYS . 0.8 OUTLIER -61.18 143.87 54.74 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 123.009 0.524 . . . . 1.99 111.421 -179.022 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' S' S ' 61' ' ' ILE . . . . . 0.566 HG22 ' HB3' ' S' ' 64' ' ' ALA . 71.8 mt -124.36 138.96 52.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.301 -0.409 . . . . 1.13 110.179 179.527 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 62' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -91.8 -41.67 10.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.889 0.376 . . . . 1.91 111.384 177.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 63' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -156.44 115.74 3.48 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.237 -0.438 . . . . 1.81 109.84 -174.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 64' ' ' ALA . . . . . 0.566 ' HB3' HG22 ' S' ' 61' ' ' ILE . . . -139.21 105.03 5.15 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.667 0.27 . . . . 1.14 111.248 -176.495 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 65' ' ' VAL . . . . . . . . . . . . . 33.5 m -137.1 144.81 31.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.393 -0.367 . . . . 1.07 110.808 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 66' ' ' VAL . . . . . . . . . . . . . 86.4 t -89.19 125.55 42.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 108.829 -0.804 . . . . 1.07 108.829 173.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 67' ' ' ILE . . . . . . . . . . . . . 46.0 mm -78.33 112.12 15.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.257 0.551 . . . . 1.19 111.092 -172.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 68' ' ' THR . . . . . . . . . . . . . 32.3 p -92.38 156.83 16.96 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.56 -0.746 . . . . 1.27 109.897 175.383 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 69' ' ' ASP . . . . . 0.456 ' HA ' ' HE ' ' S' ' 76' ' ' ARG . 14.6 t70 -79.12 145.84 33.52 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.121 -0.696 . . . . 1.75 109.121 175.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 70' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -77.96 -10.27 59.51 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.059 0.392 . . . . 4.77 112.059 -172.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 71' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -88.73 -52.77 4.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.658 0.266 . . . . 2.82 111.463 179.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 72' ' ' THR . . . . . . . . . . . . . 22.6 p -97.32 -19.28 18.63 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.193 0.442 . . . . 2.27 112.193 -176.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 73' ' ' GLN . . . . . 0.407 ' HA ' ' NE2' ' S' ' 73' ' ' GLN . 14.9 mm-40 66.36 18.31 10.85 Favored 'General case' 0 N--CA 1.466 0.35 0 O-C-N 123.447 0.467 . . . . 2.59 111.861 -177.782 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 74' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt -97.86 151.31 20.36 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.038 -0.528 . . . . 3.24 109.952 172.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 75' ' ' SER . . . . . 0.547 ' HB2' ' HA ' ' S' ' 44' ' ' TYR . 40.6 m -60.36 136.08 57.93 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.245 -0.434 . . . . 1.54 111.909 -175.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 76' ' ' ARG . . . . . 0.456 ' HE ' ' HA ' ' S' ' 69' ' ' ASP . 95.5 mtt180 -77.49 -11.79 59.89 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.01 0.433 . . . . 2.96 110.612 179.759 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 77' ' ' GLY . . . . . 0.42 ' HA2' ' O ' ' S' ' 42' ' ' LEU . . . 107.41 13.03 21.93 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.521 -0.847 . . . . 0.63 112.958 178.691 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 78' ' ' TYR . . . . . 0.425 ' HH ' ' HD2' ' S' ' 76' ' ' ARG . 43.1 p90 -152.91 161.77 42.14 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.721 0.296 . . . . 1.05 110.589 178.792 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 79' ' ' GLY . . . . . . . . . . . . . . . -146.17 165.91 28.11 Favored Glycine 0 N--CA 1.445 -0.757 0 N-CA-C 110.9 -0.88 . . . . 0.19 110.9 177.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 80' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -114.64 136.17 53.34 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 117.0 0.4 . . . . 0.47 110.656 178.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 81' ' ' VAL . . . . . . . . . . . . . 39.6 t -126.09 106.05 15.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.09 -0.505 . . . . 1.11 110.865 178.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 82' ' ' THR . . . . . 0.462 ' HA ' ' O ' ' S' ' 35' ' ' THR . 35.3 m -89.57 106.13 18.25 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 108.734 -0.839 . . . . 1.09 108.734 173.515 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 83' ' ' MET . . . . . 0.689 ' HG3' ' HA ' ' S' ' 89' ' ' ALA . 94.9 mmm -75.17 168.88 19.13 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.173 -0.467 . . . . 1.13 110.466 -177.348 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 84' ' ' LYS . . . . . 0.858 ' HB2' ' HB2' ' S' ' 60' ' ' ASP . 13.4 tttp -53.35 -53.5 50.12 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 123.706 0.629 . . . . 2.79 111.881 -179.236 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 85' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -147.47 -178.51 6.28 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.522 -0.763 . . . . 1.85 109.776 -177.371 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 86' ' ' ARG . . . . . 0.494 ' HD2' ' OD2' ' S' ' 31' ' ' ASP . 19.9 mtp180 -64.99 -34.75 79.17 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.011 -0.541 . . . . 4.59 111.723 -176.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 87' ' ' ALA . . . . . . . . . . . . . . . -71.46 -43.99 65.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.786 0.326 . . . . 1.26 110.368 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 88' ' ' SER . . . . . . . . . . . . . 29.4 m -60.54 -44.92 95.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.029 0.442 . . . . 1.26 110.075 175.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 89' ' ' ALA . . . . . 0.689 ' HA ' ' HG3' ' S' ' 83' ' ' MET . . . -56.63 -51.07 70.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.52 -0.764 . . . . 1.17 111.486 176.644 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 90' ' ' GLU . . . . . 0.494 ' O ' ' HG2' ' S' ' 94' ' ' LYS . 8.0 mm-40 -54.88 -44.38 74.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.54 -0.3 . . . . 1.85 111.579 178.744 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 91' ' ' ARG . . . . . . . . . . . . . 54.1 ttt180 -59.93 -33.57 72.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.676 0.274 . . . . 3.45 110.809 -178.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 92' ' ' ALA . . . . . . . . . . . . . . . -79.64 -22.74 43.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.346 -0.388 . . . . 1.15 111.105 178.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 93' ' ' CYS . . . . . . . . . . . . . 49.6 t -94.93 -2.26 50.89 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.261 -0.427 . . . . 2.24 111.141 -176.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 94' ' ' LYS . . . . . 0.494 ' HG2' ' O ' ' S' ' 90' ' ' GLU . 31.7 mmmt -67.24 -18.4 65.21 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 111.616 0.228 . . . . 3.42 111.616 179.473 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 95' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -118.65 118.63 33.34 Favored Pre-proline 0 C--N 1.326 -0.414 0 N-CA-C 109.756 -0.461 . . . . 2.13 109.756 176.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 96' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -80.41 -29.96 2.2 Favored 'Trans proline' 0 C--O 1.237 0.436 0 C-N-CA 122.613 2.209 . . . . 1.08 113.975 -173.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 97' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -129.27 80.88 71.54 Favored Pre-proline 0 N--CA 1.464 0.254 0 CA-C-O 120.759 0.314 . . . . 1.08 111.477 -174.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 98' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_endo -89.22 158.83 5.66 Favored 'Trans proline' 0 N--CA 1.451 -0.979 0 C-N-CA 123.127 2.552 . . . . 0.76 112.256 178.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 99' ' ' ILE . . . . . . . . . . . . . 46.4 mm -97.52 115.84 38.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 109.921 -0.4 . . . . 1.19 109.921 175.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 100' ' ' ILE . . . . . . . . . . . . . 59.8 mt -121.59 119.02 57.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.576 -0.284 . . . . 1.18 110.29 -179.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 101' ' ' ASP . . . . . . . . . . . . . 28.6 t70 64.49 15.55 9.66 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-O 121.782 0.801 . . . . 1.4 110.971 175.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 102' ' ' GLY . . . . . . . . . . . . . . . 100.17 -2.92 56.67 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.845 -0.693 . . . . 0.93 112.708 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 103' ' ' ARG . . . . . . . . . . . . . 46.0 ttt180 -111.19 145.15 39.19 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.875 -0.417 . . . . 3.59 109.875 -179.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 104' ' ' LYS . . . . . . . . . . . . . 26.7 tttp -79.53 117.97 20.95 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.439 -0.578 . . . . 2.58 109.439 179.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 105' ' ' ALA . . . . . . . . . . . . . . . -101.33 165.5 11.24 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.608 0.718 . . . . 1.06 112.665 -170.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 106' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -121.08 108.7 14.14 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.79 -1.095 . . . . 2.54 109.769 177.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 107' ' ' VAL . . . . . . . . . . . . . 61.2 t -101.54 127.94 54.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 109.527 -0.546 . . . . 1.22 109.527 177.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 108' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -156.53 152.23 27.07 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 110.411 -0.218 . . . . 1.76 110.411 -176.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 109' ' ' LEU . . . . . 0.424 HD11 ' HE2' ' S' ' 111' ' ' TYR . 98.1 mt -74.87 132.24 41.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.916 0.388 . . . . 1.22 110.273 178.801 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.29 -40.03 96.22 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 113.157 0.799 . . . . 1.25 113.157 -170.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 111' ' ' TYR . . . . . 0.424 ' HE2' HD11 ' S' ' 109' ' ' LEU . 28.0 p90 -66.44 -18.76 65.55 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 111.735 0.272 . . . . 1.7 111.735 -172.809 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 112' ' ' LEU . . . . . . . . . . . . . 95.7 mt -68.06 -53.1 28.15 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.786 0.327 . . . . 1.6 110.905 -178.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 113' ' ' GLY . . . . . . . . . . . . . . . 170.2 61.12 0.04 OUTLIER Glycine 0 N--CA 1.449 -0.488 0 N-CA-C 111.49 -0.644 . . . . 2.01 111.49 -178.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 114' ' ' ALA . . . . . . . . . . . . . . . -93.14 107.24 19.08 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.745 0.307 . . . . 1.7 110.811 -178.383 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 115' ' ' LYS . . . . . . . . . . . . . 63.7 mttm -92.22 112.24 54.19 Favored Pre-proline 0 C--N 1.327 -0.371 0 N-CA-C 109.195 -0.669 . . . . 5.63 109.195 175.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 116' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -79.05 8.58 3.73 Favored 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 123.135 2.557 . . . . 3.16 113.654 -175.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 117' ' ' ARG . . . . . . . . . . . . . 6.5 tpp180 -154.64 163.64 39.93 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.32 -0.622 . . . . 5.14 109.32 178.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 118' ' ' THR . . . . . . . . . . . . . 1.9 m -70.79 -29.88 66.2 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.171 0.51 . . . . 6.65 110.435 176.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 119' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -108.53 137.61 46.19 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.572 -0.74 . . . . 7.34 110.494 -178.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 120' ' ' VAL . . . . . . . . . . . . . 30.8 m -115.89 146.85 19.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.223 -0.444 . . . . 9.17 111.147 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 121' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 . . . . . 0 C--O 1.254 1.311 0 CA-C-O 118.084 -0.96 . . . . 11.88 109.791 -179.466 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' S' S ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.725 0 N-CA-C 112.557 -0.217 . . . . 11.27 112.557 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' S' S ' 26' ' ' ALA . . . . . . . . . . . . . . . -143.58 153.81 42.94 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 110.455 -0.202 . . . . 9.73 110.455 -179.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 27' ' ' MET . . . . . . . . . . . . . 1.3 mpt? 62.78 -174.95 0.15 Allowed 'General case' 0 N--CA 1.467 0.407 0 O-C-N 123.717 0.636 . . . . 10.2 111.31 -178.182 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 28' ' ' GLY . . . . . . . . . . . . . . . 160.87 121.3 0.58 Allowed Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.655 -0.783 . . . . 6.05 112.72 176.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 29' ' ' SER . . . . . . . . . . . . . 54.6 m -106.82 103.49 12.94 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.72 0.295 . . . . 4.57 110.421 178.056 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 30' ' ' ARG . . . . . . . . . . . . . 77.2 mtt180 -81.13 113.22 19.15 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.227 -0.442 . . . . 7.76 110.844 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 31' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -85.55 108.74 18.08 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.253 0.549 . . . . 3.39 110.463 174.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 32' ' ' THR . . . . . . . . . . . . . 6.3 p -129.86 20.14 5.51 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.439 -0.801 . . . . 1.79 109.524 175.085 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 27.1 ttt -83.21 -47.29 11.72 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.505 -0.77 . . . . 2.01 110.484 -175.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 34' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -103.43 11.42 36.52 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.06 -0.518 . . . . 1.16 111.528 -176.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 35' ' ' THR . . . . . 0.442 ' O ' ' HA ' ' S' ' 82' ' ' THR . 8.2 p -122.23 -10.33 8.53 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.908 0.385 . . . . 1.22 110.999 -177.093 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 36' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -100.05 117.65 34.77 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.015 -0.538 . . . . 2.47 110.818 -176.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 37' ' ' ILE . . . . . . . . . . . . . 65.8 mt -101.16 138.57 24.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.501 -0.772 . . . . 1.18 110.768 -179.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 38' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -99.05 120.21 39.09 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.144 -0.687 . . . . 0.57 109.144 175.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 39' ' ' VAL . . . . . 0.408 HG12 HD12 ' S' ' 51' ' ' LEU . 38.4 t -118.42 103.54 14.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.409 -0.36 . . . . 1.01 110.472 -179.471 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 40' ' ' GLY . . . . . . . . . . . . . . . -108.89 152.3 17.02 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.442 -0.885 . . . . 0.27 112.286 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 41' ' ' GLY . . . . . . . . . . . . . . . 104.18 33.39 4.0 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.785 -0.721 . . . . 0.49 111.668 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 42' ' ' LEU . . . . . 0.559 ' O ' ' HA2' ' S' ' 77' ' ' GLY . 86.4 mt -106.32 131.94 21.31 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-O 120.687 0.279 . . . . 1.11 111.001 -177.567 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 43' ' ' PRO . . . . . 0.466 ' HB2' ' CD2' ' S' ' 45' ' ' HIS . 19.5 Cg_exo -67.51 173.63 8.55 Favored 'Trans proline' 0 CA--C 1.532 0.405 0 C-N-CA 122.681 2.254 . . . . 0.62 112.209 175.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 44' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -72.09 -23.77 61.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.173 -0.467 . . . . 2.81 111.26 -173.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 45' ' ' HIS . . . . . 0.466 ' CD2' ' HB2' ' S' ' 43' ' ' PRO . 22.5 p80 -84.15 -3.24 58.0 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.16 -0.473 . . . . 3.13 111.136 -177.655 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 46' ' ' THR . . . . . 0.45 ' OG1' ' HD2' ' S' ' 43' ' ' PRO . 65.1 m -89.47 109.8 20.69 Favored 'General case' 0 N--CA 1.443 -0.777 0 N-CA-C 109.442 -0.577 . . . . 1.14 109.442 -178.798 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 47' ' ' SER . . . . . 0.515 ' HB2' ' HG2' ' S' ' 49' ' ' LYS . 8.8 m -99.33 175.53 5.84 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 115.883 -0.599 . . . . 0.68 110.258 -175.805 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 48' ' ' ASP . . . . . 0.676 ' HB3' ' HA ' ' S' ' 65' ' ' VAL . 0.7 OUTLIER -53.13 -46.2 68.69 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.71 -0.677 . . . . 1.29 111.012 176.281 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' S' S ' 49' ' ' LYS . . . . . 0.515 ' HG2' ' HB2' ' S' ' 47' ' ' SER . 53.0 pttt -56.77 -35.25 68.46 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.165 -0.47 . . . . 3.0 111.847 176.575 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 50' ' ' THR . . . . . . . . . . . . . 14.6 m -71.69 -47.99 50.41 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.053 0.454 . . . . 1.15 110.1 -178.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 51' ' ' LEU . . . . . 0.408 HD12 HG12 ' S' ' 39' ' ' VAL . 20.1 tp -64.53 -36.7 85.07 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.065 -0.516 . . . . 1.23 109.908 177.533 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 52' ' ' HIS . . . . . . . . . . . . . 36.4 t-80 -61.98 -50.24 72.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.389 -0.823 . . . . 0.73 110.9 178.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 53' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -54.74 -47.81 73.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.83 0.348 . . . . 2.24 111.467 -179.183 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 54' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -63.57 -43.48 96.87 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.339 -0.391 . . . . 1.2 111.644 -176.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 55' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -84.96 -21.34 29.6 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.29 0.478 . . . . 0.68 112.29 -175.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 56' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -65.12 -15.32 62.27 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.419 0.628 . . . . 1.47 110.427 179.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 57' ' ' GLN . . . . . . . . . . . . . 42.0 tp60 -61.56 -36.5 80.8 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.742 -0.663 . . . . 3.67 110.667 172.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 58' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -91.26 -4.39 56.0 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.045 0.387 . . . . 0.71 112.045 -171.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 59' ' ' GLY . . . . . . . . . . . . . . . 150.15 -175.67 29.13 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.407 -0.901 . . . . 0.51 112.759 177.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 60' ' ' ASP . . . . . 0.641 ' HB2' ' HG2' ' S' ' 84' ' ' LYS . 9.4 m-20 -69.36 140.28 54.25 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 110.082 -0.34 . . . . 1.99 110.082 179.593 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 61' ' ' ILE . . . . . 0.602 HG22 ' HB3' ' S' ' 64' ' ' ALA . 65.8 mt -115.06 132.52 64.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 116.2 -0.455 . . . . 1.13 110.29 178.647 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 62' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -87.78 -48.23 8.0 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.105 -0.498 . . . . 1.91 110.639 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 63' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -142.11 116.41 9.53 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.268 -0.424 . . . . 1.81 110.207 -176.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 64' ' ' ALA . . . . . 0.602 ' HB3' HG22 ' S' ' 61' ' ' ILE . . . -135.08 110.63 9.16 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 110.212 -0.292 . . . . 1.14 110.212 -179.633 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 65' ' ' VAL . . . . . 0.676 ' HA ' ' HB3' ' S' ' 48' ' ' ASP . 21.0 m -142.51 138.03 28.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.338 -0.392 . . . . 1.07 111.076 -178.609 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 66' ' ' VAL . . . . . . . . . . . . . 96.4 t -90.31 119.47 37.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 108.088 -1.078 . . . . 1.07 108.088 169.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 67' ' ' ILE . . . . . . . . . . . . . 48.8 mm -68.56 125.5 26.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.097 0.475 . . . . 1.19 111.949 -168.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 68' ' ' THR . . . . . . . . . . . . . 1.9 p -99.95 146.77 26.31 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 115.734 -0.667 . . . . 1.27 109.769 174.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 69' ' ' ASP . . . . . 0.458 ' O ' ' HA ' ' S' ' 73' ' ' GLN . 24.1 t70 -66.03 142.13 57.92 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.377 -0.374 . . . . 1.75 110.815 -179.605 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 70' ' ' ARG . . . . . . . . . . . . . 83.5 mtt180 -70.19 -25.4 63.41 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.545 -0.298 . . . . 4.77 111.399 -176.438 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 71' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -93.62 -56.46 2.9 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.029 0.442 . . . . 2.82 111.135 -174.103 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 72' ' ' THR . . . . . 0.419 ' HB ' ' HG2' ' S' ' 74' ' ' LYS . 42.7 p -91.83 -18.79 23.31 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.98 -0.554 . . . . 2.27 111.658 -175.573 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 73' ' ' GLN . . . . . 0.458 ' HA ' ' O ' ' S' ' 69' ' ' ASP . 10.6 mm100 63.64 23.58 13.6 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 115.968 -0.56 . . . . 2.59 111.805 -177.77 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 74' ' ' LYS . . . . . 0.419 ' HG2' ' HB ' ' S' ' 72' ' ' THR . 29.4 mmtp -92.21 160.55 15.11 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.806 -0.813 . . . . 3.24 108.806 175.056 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 75' ' ' SER . . . . . . . . . . . . . 35.9 t -67.33 144.05 56.06 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.847 0.356 . . . . 1.54 110.426 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 76' ' ' ARG . . . . . . . . . . . . . 88.8 mtt180 -96.7 5.78 49.99 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.954 0.406 . . . . 2.96 111.385 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 77' ' ' GLY . . . . . 0.559 ' HA2' ' O ' ' S' ' 42' ' ' LEU . . . 84.21 18.75 62.07 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.733 -0.746 . . . . 0.63 113.985 173.196 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 78' ' ' TYR . . . . . . . . . . . . . 43.1 p90 -159.29 161.25 35.86 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.937 0.399 . . . . 1.05 110.524 178.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 79' ' ' GLY . . . . . . . . . . . . . . . -142.72 165.07 26.94 Favored Glycine 0 N--CA 1.444 -0.795 0 CA-C-N 115.957 -0.565 . . . . 0.19 111.741 178.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 80' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -116.28 136.72 52.75 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 110.246 -0.279 . . . . 0.47 110.246 179.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 81' ' ' VAL . . . . . . . . . . . . . 41.6 t -125.63 112.22 30.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.048 -0.524 . . . . 1.11 110.475 179.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 82' ' ' THR . . . . . 0.442 ' HA ' ' O ' ' S' ' 35' ' ' THR . 11.9 m -99.66 113.36 25.76 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.142 -0.688 . . . . 1.09 109.142 176.413 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 83' ' ' MET . . . . . 0.594 ' HG3' ' HA ' ' S' ' 89' ' ' ALA . 94.2 mmm -85.09 165.28 17.61 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.503 -0.317 . . . . 1.13 110.949 -175.553 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 84' ' ' LYS . . . . . 0.641 ' HG2' ' HB2' ' S' ' 60' ' ' ASP . 0.0 OUTLIER -65.9 -22.43 66.51 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.931 -0.577 . . . . 2.79 111.653 -177.922 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' S' S ' 85' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -164.06 -178.44 5.6 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 110.241 -0.281 . . . . 1.85 110.241 178.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 86' ' ' ARG . . . . . . . . . . . . . 51.8 mtp180 -67.31 -41.66 84.99 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.142 -0.481 . . . . 4.59 112.138 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.2 -41.82 98.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.868 0.366 . . . . 1.26 110.645 -175.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 88' ' ' SER . . . . . . . . . . . . . 18.3 m -63.96 -39.89 95.16 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.952 -0.567 . . . . 1.26 110.589 176.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 89' ' ' ALA . . . . . 0.594 ' HA ' ' HG3' ' S' ' 83' ' ' MET . . . -67.6 -47.79 68.67 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.277 -0.419 . . . . 1.17 111.311 -179.699 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 90' ' ' GLU . . . . . 0.6 ' HA ' ' SG ' ' S' ' 93' ' ' CYS . 62.9 mt-10 -63.15 -39.79 95.7 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.225 -0.443 . . . . 1.85 110.529 179.313 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 91' ' ' ARG . . . . . . . . . . . . . 34.1 ttm180 -58.11 -38.36 76.31 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.151 -0.477 . . . . 3.45 110.717 178.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 92' ' ' ALA . . . . . . . . . . . . . . . -72.54 -40.53 66.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.965 -0.561 . . . . 1.15 111.536 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 93' ' ' CYS . . . . . 0.6 ' SG ' ' HA ' ' S' ' 90' ' ' GLU . 18.4 p -91.1 14.2 14.76 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.958 0.355 . . . . 2.24 111.958 -176.532 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 94' ' ' LYS . . . . . . . . . . . . . 76.1 mttt -61.25 -15.49 35.35 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.724 0.297 . . . . 3.42 111.593 170.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 95' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -124.7 115.94 26.57 Favored Pre-proline 0 C--N 1.327 -0.388 0 N-CA-C 109.353 -0.61 . . . . 2.13 109.353 176.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 96' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -69.95 -24.89 28.29 Favored 'Trans proline' 0 CA--C 1.531 0.347 0 C-N-CA 122.579 2.186 . . . . 1.08 113.392 -174.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 97' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -129.21 83.19 66.42 Favored Pre-proline 0 C--O 1.234 0.253 0 N-CA-C 111.435 0.161 . . . . 1.08 111.435 -176.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 98' ' ' PRO . . . . . 0.489 ' HG2' ' HB1' ' S' ' 105' ' ' ALA . 74.2 Cg_endo -77.61 139.56 18.14 Favored 'Trans proline' 0 N--CA 1.457 -0.662 0 C-N-CA 122.256 1.971 . . . . 0.76 111.653 174.791 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 99' ' ' ILE . . . . . . . . . . . . . 50.9 mm -92.52 97.63 7.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 120.888 0.375 . . . . 1.19 110.405 -179.259 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 100' ' ' ILE . . . . . . . . . . . . . 58.4 mt -111.5 122.95 66.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 109.256 -0.646 . . . . 1.18 109.256 -179.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 101' ' ' ASP . . . . . . . . . . . . . 32.8 t70 64.41 14.58 8.93 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-O 121.937 0.875 . . . . 1.4 110.43 -175.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 102' ' ' GLY . . . . . . . . . . . . . . . 85.25 1.62 88.2 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.404 -0.903 . . . . 0.93 111.873 -176.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 103' ' ' ARG . . . . . . . . . . . . . 29.4 mmt180 -88.92 151.7 22.16 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-O 120.879 0.371 . . . . 3.59 110.026 178.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 104' ' ' LYS . . . . . 0.45 ' HE3' ' HB2' ' S' ' 104' ' ' LYS . 30.4 ttmt -92.98 94.55 8.96 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.178 -0.675 . . . . 2.58 109.178 178.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 105' ' ' ALA . . . . . 0.489 ' HB1' ' HG2' ' S' ' 98' ' ' PRO . . . -85.78 161.73 19.02 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.74 -0.663 . . . . 1.06 111.467 -173.578 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 106' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -119.26 114.17 21.99 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.598 -0.728 . . . . 2.54 109.359 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 107' ' ' VAL . . . . . . . . . . . . . 54.4 t -116.13 127.66 73.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.842 -0.617 . . . . 1.22 111.019 -177.125 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 108' ' ' ASN . . . . . . . . . . . . . 30.1 p-10 -156.32 165.51 36.15 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.756 -0.656 . . . . 1.76 109.804 177.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 109' ' ' LEU . . . . . . . . . . . . . 95.3 mt -71.7 131.22 42.84 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.56 -0.533 . . . . 1.22 109.56 175.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.95 -15.67 63.19 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 113.555 0.946 . . . . 1.25 113.555 -167.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 111' ' ' TYR . . . . . . . . . . . . . 29.4 p90 -73.55 -11.2 60.36 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.636 -0.426 . . . . 1.7 110.503 -179.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 112' ' ' LEU . . . . . . . . . . . . . 89.7 mt -76.29 -18.23 59.07 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.102 -0.499 . . . . 1.6 110.361 177.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 113' ' ' GLY . . . . . . . . . . . . . . . 122.11 110.52 2.09 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.665 -0.779 . . . . 2.01 112.351 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 114' ' ' ALA . . . . . . . . . . . . . . . -77.98 117.77 19.63 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.535 0.207 . . . . 1.7 110.723 178.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 115' ' ' LYS . . . . . . . . . . . . . 30.3 mmtp -108.49 97.83 24.99 Favored Pre-proline 0 C--N 1.326 -0.45 0 N-CA-C 109.743 -0.465 . . . . 5.63 109.743 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 116' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -84.84 128.69 3.88 Favored 'Trans proline' 0 N--CA 1.461 -0.408 0 C-N-CA 122.932 2.421 . . . . 3.16 114.316 -175.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 117' ' ' ARG . . . . . . . . . . . . . 88.3 mtm180 70.35 178.06 0.26 Allowed 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 115.056 -0.975 . . . . 5.14 112.762 171.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 118' ' ' THR . . . . . . . . . . . . . 1.4 p -82.81 140.76 32.77 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.433 -0.803 . . . . 6.65 111.621 -178.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 119' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -146.95 -38.15 0.21 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.926 -0.579 . . . . 7.34 109.687 178.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 120' ' ' VAL . . . . . . . . . . . . . 61.4 t -122.08 140.78 44.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.517 -0.765 . . . . 9.17 109.357 175.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 121' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 . . . . . 0 C--O 1.248 0.99 0 CA-C-O 118.66 -0.686 . . . . 11.88 110.385 -179.774 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' S' S ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.858 0 N-CA-C 112.538 -0.225 . . . . 11.27 112.538 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' S' S ' 26' ' ' ALA . . . . . . . . . . . . . . . -143.13 164.24 30.68 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.853 -0.425 . . . . 9.73 109.853 178.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 27' ' ' MET . . . . . . . . . . . . . 23.7 ptm -128.83 -173.6 3.02 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.656 -0.247 . . . . 10.2 110.44 -178.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 28' ' ' GLY . . . . . . . . . . . . . . . 124.63 -125.59 5.78 Favored Glycine 0 N--CA 1.447 -0.567 0 N-CA-C 111.205 -0.758 . . . . 6.05 111.205 -176.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 29' ' ' SER . . . . . . . . . . . . . 23.6 m 57.73 31.02 19.83 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 121.318 0.58 . . . . 4.57 111.267 178.097 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 30' ' ' ARG . . . . . . . . . . . . . 28.0 ttm180 -93.47 138.5 31.71 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.899 -0.592 . . . . 7.76 111.739 -176.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 31' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -68.41 95.74 0.63 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.103 -0.499 . . . . 3.39 109.86 169.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 32' ' ' THR . . . . . . . . . . . . . 1.8 p -70.87 -9.67 58.12 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.481 0.658 . . . . 1.79 110.278 176.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 23.5 ttt -55.08 -32.1 61.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 114.945 -1.025 . . . . 2.01 111.34 177.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 34' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -105.54 7.59 32.98 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.982 0.364 . . . . 1.16 111.982 -174.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 35' ' ' THR . . . . . 0.567 ' O ' ' HA ' ' S' ' 82' ' ' THR . 7.7 p -125.22 -4.98 7.31 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.951 0.405 . . . . 1.22 110.911 178.101 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 36' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -87.0 99.36 11.84 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.819 -0.628 . . . . 2.47 110.149 -179.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 37' ' ' ILE . . . . . . . . . . . . . 62.7 mt -89.98 135.01 27.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.623 -0.717 . . . . 1.18 110.595 -179.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 38' ' ' PHE . . . . . 0.443 ' HD1' ' CE1' ' S' ' 80' ' ' PHE . 72.8 t80 -102.73 106.32 16.92 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.593 -0.73 . . . . 0.57 109.202 176.323 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 39' ' ' VAL . . . . . . . . . . . . . 21.5 t -101.48 102.49 13.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 110.036 -0.357 . . . . 1.01 110.036 -179.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 40' ' ' GLY . . . . . 0.404 ' HA2' ' CB ' ' S' ' 78' ' ' TYR . . . -102.2 155.8 18.57 Favored Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.579 -0.82 . . . . 0.27 112.461 -176.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 41' ' ' GLY . . . . . . . . . . . . . . . 99.43 21.22 15.34 Favored Glycine 0 N--CA 1.453 -0.193 0 C-N-CA 120.763 -0.732 . . . . 0.49 112.154 178.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 42' ' ' LEU . . . . . . . . . . . . . 90.1 mt -91.82 134.72 28.5 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-O 120.866 0.365 . . . . 1.11 111.144 -176.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 43' ' ' PRO . . . . . 0.542 ' HG3' ' HG3' ' S' ' 103' ' ' ARG . 35.5 Cg_exo -62.04 163.29 19.97 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.873 2.382 . . . . 0.62 112.246 175.166 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 44' ' ' TYR . . . . . 0.4 ' HA ' ' HB3' ' S' ' 75' ' ' SER . 16.2 m-85 -69.95 -26.25 64.03 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.634 -0.712 . . . . 2.81 111.556 -172.628 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 45' ' ' HIS . . . . . . . . . . . . . 4.5 p80 -89.56 0.0 57.21 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.052 0.454 . . . . 3.13 110.667 -178.332 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 46' ' ' THR . . . . . 0.445 ' OG1' ' HD2' ' S' ' 43' ' ' PRO . 97.1 m -79.51 116.79 19.93 Favored 'General case' 0 N--CA 1.446 -0.633 0 N-CA-C 109.197 -0.668 . . . . 1.14 109.197 176.37 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 47' ' ' SER . . . . . . . . . . . . . 43.5 m -108.76 -177.48 3.32 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 116.167 -0.47 . . . . 0.68 111.168 -174.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 48' ' ' ASP . . . . . . . . . . . . . 21.3 p-10 -53.8 -52.12 61.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.744 -0.662 . . . . 1.29 110.401 177.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 49' ' ' LYS . . . . . . . . . . . . . 6.1 ptpp? -53.42 -41.09 65.69 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.17 -0.923 . . . . 3.0 111.737 178.009 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 50' ' ' THR . . . . . . . . . . . . . 2.9 m -63.47 -47.68 80.8 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-O 120.92 0.39 . . . . 1.15 110.495 -177.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 51' ' ' LEU . . . . . . . . . . . . . 15.8 tp -74.73 -35.87 62.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.018 -0.537 . . . . 1.23 110.923 -178.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 52' ' ' HIS . . . . . . . . . . . . . 52.8 t-80 -61.45 -49.73 75.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.398 -0.365 . . . . 0.73 110.298 177.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 53' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -57.95 -40.74 81.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.962 -0.563 . . . . 2.24 110.07 179.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 54' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -66.45 -42.49 87.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.82 -0.627 . . . . 1.2 111.096 -178.281 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 55' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -85.05 -20.31 30.61 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 112.655 0.613 . . . . 0.68 112.655 -174.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 56' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -61.87 -18.71 61.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.118 0.485 . . . . 1.47 110.283 176.072 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 57' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -71.18 -12.94 61.75 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.004 -0.544 . . . . 3.67 110.101 178.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 58' ' ' PHE . . . . . 0.447 ' O ' ' HD3' ' S' ' 91' ' ' ARG . 66.5 m-85 -106.68 1.95 25.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.956 -0.566 . . . . 0.71 111.003 -179.191 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 59' ' ' GLY . . . . . . . . . . . . . . . 134.38 -159.33 23.79 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.32 -0.943 . . . . 0.51 113.03 177.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 60' ' ' ASP . . . . . 0.675 ' HB3' ' HD2' ' S' ' 84' ' ' LYS . 24.4 t70 -92.98 141.16 28.7 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.925 0.393 . . . . 1.99 110.733 -175.635 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 61' ' ' ILE . . . . . 0.411 HG12 ' SD ' ' S' ' 83' ' ' MET . 22.2 mt -121.54 148.89 24.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.938 -0.573 . . . . 1.13 110.788 -169.813 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 62' ' ' GLU . . . . . 0.504 ' HG3' ' HA ' ' S' ' 84' ' ' LYS . 31.8 mt-10 -81.28 -47.13 13.75 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 109.964 -0.384 . . . . 1.91 109.964 174.134 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 63' ' ' GLU . . . . . . . . . . . . . 77.1 tt0 -169.07 138.85 2.19 Favored 'General case' 0 C--N 1.334 -0.088 0 CA-C-N 116.419 -0.355 . . . . 1.81 110.449 175.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 64' ' ' ALA . . . . . 0.467 ' HB3' HG23 ' S' ' 81' ' ' VAL . . . -137.14 115.11 11.48 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 110.016 -0.364 . . . . 1.14 110.016 178.671 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 65' ' ' VAL . . . . . . . . . . . . . 27.8 m -138.9 138.71 41.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.084 0.469 . . . . 1.07 111.986 -176.173 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 66' ' ' VAL . . . . . . . . . . . . . 91.0 t -88.47 120.99 38.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 108.639 -0.874 . . . . 1.07 108.639 169.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 67' ' ' ILE . . . . . 0.439 ' HB ' ' HG3' ' S' ' 76' ' ' ARG . 50.6 mm -69.59 122.25 20.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.251 -0.431 . . . . 1.19 111.565 -172.019 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 68' ' ' THR . . . . . . . . . . . . . 20.0 p -111.13 145.73 38.08 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.602 -0.727 . . . . 1.27 110.325 176.147 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 69' ' ' ASP . . . . . 0.623 ' O ' ' HA ' ' S' ' 73' ' ' GLN . 56.8 m-20 -76.01 149.26 37.6 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.26 -0.427 . . . . 1.75 111.08 179.427 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 70' ' ' ARG . . . . . . . . . . . . . 91.2 mtt180 -80.51 -39.32 28.11 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.131 0.491 . . . . 4.77 110.539 178.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 71' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -82.78 -56.71 3.67 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.549 -0.75 . . . . 2.82 111.223 -176.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 72' ' ' THR . . . . . . . . . . . . . 1.5 p -89.09 -7.84 55.01 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.928 -0.578 . . . . 2.27 112.138 -176.028 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 73' ' ' GLN . . . . . 0.623 ' HA ' ' O ' ' S' ' 69' ' ' ASP . 18.8 pt20 45.39 33.59 1.31 Allowed 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.068 0.947 . . . . 2.59 112.235 -178.49 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 74' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -94.75 165.34 12.54 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.117 -0.492 . . . . 3.24 110.079 178.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 75' ' ' SER . . . . . 0.4 ' HB3' ' HA ' ' S' ' 44' ' ' TYR . 44.8 t -90.4 146.54 24.08 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.601 -0.518 . . . . 1.54 109.601 174.664 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 76' ' ' ARG . . . . . 0.439 ' HG3' ' HB ' ' S' ' 67' ' ' ILE . 5.3 mmp_? -76.21 -9.65 58.8 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.346 -0.388 . . . . 2.96 110.842 179.356 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 77' ' ' GLY . . . . . . . . . . . . . . . 80.55 20.47 66.25 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.642 -0.79 . . . . 0.63 111.63 -177.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 78' ' ' TYR . . . . . 0.404 ' CB ' ' HA2' ' S' ' 40' ' ' GLY . 11.9 p90 -165.31 163.62 19.95 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.396 -0.594 . . . . 1.05 109.396 178.122 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 79' ' ' GLY . . . . . . . . . . . . . . . -138.29 163.96 25.66 Favored Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 111.204 -0.759 . . . . 0.19 111.204 177.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 80' ' ' PHE . . . . . 0.443 ' CE1' ' HD1' ' S' ' 38' ' ' PHE . 90.1 m-85 -113.2 134.82 54.39 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.858 -0.423 . . . . 0.47 109.858 178.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 81' ' ' VAL . . . . . 0.467 HG23 ' HB3' ' S' ' 64' ' ' ALA . 50.6 t -124.55 115.8 45.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 115.904 -0.589 . . . . 1.11 109.884 178.221 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 82' ' ' THR . . . . . 0.567 ' HA ' ' O ' ' S' ' 35' ' ' THR . 11.7 m -99.89 102.35 13.72 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 108.895 -0.78 . . . . 1.09 108.895 176.61 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 83' ' ' MET . . . . . 0.625 ' HG3' ' HA ' ' S' ' 89' ' ' ALA . 98.7 mmm -75.63 159.03 31.62 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.19 -0.459 . . . . 1.13 109.967 -179.436 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 84' ' ' LYS . . . . . 0.675 ' HD2' ' HB3' ' S' ' 60' ' ' ASP . 14.8 ptmt -59.19 -32.25 69.75 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.437 0.532 . . . . 2.79 112.437 -173.731 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 85' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -167.73 -173.04 2.03 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 109.729 -0.471 . . . . 1.85 109.729 178.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 86' ' ' ARG . . . . . . . . . . . . . 51.0 mmt-85 -63.1 -46.71 86.09 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.76 0.314 . . . . 4.59 110.975 -172.234 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.99 77.29 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.947 -0.57 . . . . 1.26 112.033 -175.216 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 88' ' ' SER . . . . . . . . . . . . . 13.9 m -67.22 -39.7 86.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.949 0.404 . . . . 1.26 110.535 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 89' ' ' ALA . . . . . 0.625 ' HA ' ' HG3' ' S' ' 83' ' ' MET . . . -58.94 -46.01 89.05 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.816 -0.629 . . . . 1.17 110.917 177.406 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 90' ' ' GLU . . . . . 0.588 ' HB3' ' HE2' ' S' ' 94' ' ' LYS . 29.7 mt-10 -55.14 -49.01 72.87 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-N 116.539 -0.301 . . . . 1.85 111.192 177.524 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 91' ' ' ARG . . . . . 0.447 ' HD3' ' O ' ' S' ' 58' ' ' PHE . 78.1 ttt180 -56.7 -34.85 67.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.304 -0.407 . . . . 3.45 111.09 -177.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 92' ' ' ALA . . . . . . . . . . . . . . . -80.05 -20.5 45.1 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.963 -0.562 . . . . 1.15 111.411 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 93' ' ' CYS . . . . . . . . . . . . . 64.4 m -103.9 2.22 32.27 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.058 0.392 . . . . 2.24 112.058 -176.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 94' ' ' LYS . . . . . 0.588 ' HE2' ' HB3' ' S' ' 90' ' ' GLU . 73.3 mmtt -62.98 -33.49 75.51 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.657 0.265 . . . . 3.42 111.068 179.149 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 95' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -99.83 109.33 55.42 Favored Pre-proline 0 C--N 1.328 -0.353 0 N-CA-C 109.738 -0.467 . . . . 2.13 109.738 173.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 96' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -69.62 -39.86 6.26 Favored 'Trans proline' 0 C--O 1.234 0.292 0 C-N-CA 122.672 2.248 . . . . 1.08 113.261 -174.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 97' ' ' ASN . . . . . 0.445 ' HA ' ' O ' ' S' ' 105' ' ' ALA . 12.7 m120 -124.97 80.28 63.98 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 120.761 0.315 . . . . 1.08 111.029 -178.575 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 98' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -83.86 152.18 12.92 Favored 'Trans proline' 0 N--CA 1.454 -0.823 0 C-N-CA 122.836 2.358 . . . . 0.76 112.043 177.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 99' ' ' ILE . . . . . . . . . . . . . 49.1 mm -87.85 109.68 19.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 109.794 -0.447 . . . . 1.19 109.794 177.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 100' ' ' ILE . . . . . . . . . . . . . 51.3 mt -116.88 120.27 64.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 109.642 -0.503 . . . . 1.18 109.642 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 101' ' ' ASP . . . . . . . . . . . . . 27.3 t70 64.93 15.68 10.07 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 121.967 0.889 . . . . 1.4 110.672 178.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 102' ' ' GLY . . . . . . . . . . . . . . . 93.98 4.18 63.39 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.75 -0.738 . . . . 0.93 112.683 -179.281 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 103' ' ' ARG . . . . . 0.586 ' HE ' ' HA ' ' S' ' 103' ' ' ARG . 2.9 mmp_? -111.59 151.95 28.16 Favored 'General case' 0 N--CA 1.448 -0.535 0 O-C-N 122.509 -0.406 . . . . 3.59 110.822 179.184 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 104' ' ' LYS . . . . . . . . . . . . . 13.7 ttmm -85.0 99.08 10.77 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.624 -0.51 . . . . 2.58 109.624 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 105' ' ' ALA . . . . . 0.445 ' O ' ' HA ' ' S' ' 97' ' ' ASN . . . -86.43 162.81 17.94 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.189 0.518 . . . . 1.06 111.3 -174.715 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 106' ' ' ASN . . . . . 0.427 HD21 ' C ' ' S' ' 105' ' ' ALA . 0.9 OUTLIER -119.13 113.13 20.43 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.706 -0.679 . . . . 2.54 109.488 178.589 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' S' S ' 107' ' ' VAL . . . . . . . . . . . . . 61.9 t -105.78 126.76 61.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 109.666 -0.494 . . . . 1.22 109.666 179.159 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 108' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -165.1 158.9 17.18 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.231 -0.441 . . . . 1.76 110.033 -178.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 109' ' ' LEU . . . . . 0.476 HD11 ' HE2' ' S' ' 111' ' ' TYR . 97.0 mt -76.43 134.53 39.56 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.66 0.267 . . . . 1.22 110.407 -179.717 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 110' ' ' ALA . . . . . . . . . . . . . . . -57.25 -36.71 71.29 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 113.244 0.831 . . . . 1.25 113.244 -171.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 111' ' ' TYR . . . . . 0.476 ' HE2' HD11 ' S' ' 109' ' ' LEU . 26.9 p90 -71.85 -7.55 49.03 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.833 0.349 . . . . 1.7 111.557 -175.648 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 112' ' ' LEU . . . . . . . . . . . . . 86.0 mt -90.72 -3.64 57.32 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.72 -0.218 . . . . 1.6 111.191 179.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 113' ' ' GLY . . . . . . . . . . . . . . . 137.75 65.32 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.465 -0.874 . . . . 2.01 113.155 176.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 114' ' ' ALA . . . . . . . . . . . . . . . -82.21 98.82 8.93 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.177 0.513 . . . . 1.7 110.648 176.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 115' ' ' LYS . . . . . . . . . . . . . 38.9 mmtm -118.12 118.15 34.56 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 115.979 -0.555 . . . . 5.63 110.633 179.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 116' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -85.04 -170.71 0.81 Allowed 'Trans proline' 0 N--CA 1.461 -0.434 0 C-N-CA 123.148 2.565 . . . . 3.16 113.358 -177.463 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.43 137.16 37.15 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.649 -0.705 . . . . 5.14 110.235 177.672 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 118' ' ' THR . . . . . . . . . . . . . 11.6 t -94.24 167.46 11.53 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.379 -0.373 . . . . 6.65 110.61 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 119' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -151.59 114.46 4.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.234 0.54 . . . . 7.34 110.097 -179.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 120' ' ' VAL . . . . . . . . . . . . . 24.8 m -141.41 169.36 14.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.946 -0.57 . . . . 9.17 111.124 -178.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 121' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 . . . . . 0 C--O 1.25 1.083 0 O-C-N 123.973 0.796 . . . . 11.88 111.084 179.717 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' S' S ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.746 0 N-CA-C 112.223 -0.351 . . . . 11.27 112.223 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' S' S ' 26' ' ' ALA . . . . . . . . . . . . . . . -141.68 114.74 8.68 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.967 -0.383 . . . . 9.73 109.967 176.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 27' ' ' MET . . . . . . . . . . . . . 23.7 ptp -150.14 166.21 30.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.071 0.462 . . . . 10.2 111.732 -174.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 28' ' ' GLY . . . . . . . . . . . . . . . -171.09 153.8 21.33 Favored Glycine 0 N--CA 1.448 -0.554 0 N-CA-C 110.933 -0.867 . . . . 6.05 110.933 178.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 29' ' ' SER . . . . . . . . . . . . . 14.2 m -80.35 66.6 5.91 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.018 0.437 . . . . 4.57 111.265 -177.182 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 30' ' ' ARG . . . . . . . . . . . . . 26.2 mmt180 -126.84 83.55 2.18 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.548 -0.538 . . . . 7.76 109.548 175.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 31' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -86.37 39.45 0.83 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.96 -0.564 . . . . 3.39 111.223 -177.318 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 32' ' ' THR . . . . . . . . . . . . . 8.4 p -62.08 -19.52 63.03 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.011 -0.54 . . . . 1.79 111.22 -179.379 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 33' ' ' MET . . . . . 0.441 ' HB2' ' HB2' ' S' ' 111' ' ' TYR . 20.4 ptt? -63.84 -17.67 63.37 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.135 -0.484 . . . . 2.01 111.623 179.579 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 34' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -103.42 -2.38 27.02 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.016 0.376 . . . . 1.16 112.016 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 35' ' ' THR . . . . . . . . . . . . . 11.8 p -127.13 -7.51 5.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.956 0.408 . . . . 1.22 111.389 -177.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 36' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -89.22 98.55 11.83 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.962 -0.563 . . . . 2.47 110.169 179.428 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 37' ' ' ILE . . . . . . . . . . . . . 65.5 mt -90.22 131.67 36.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.603 -0.726 . . . . 1.18 110.898 -177.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 38' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -99.57 117.92 35.0 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.643 -0.708 . . . . 0.57 109.714 178.26 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 39' ' ' VAL . . . . . 0.414 HG22 HD12 ' S' ' 51' ' ' LEU . 19.5 t -110.1 98.67 7.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 116.199 -0.455 . . . . 1.01 109.781 179.098 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 40' ' ' GLY . . . . . . . . . . . . . . . -100.39 152.89 19.27 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.601 -0.809 . . . . 0.27 111.835 -179.068 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 41' ' ' GLY . . . . . . . . . . . . . . . 98.25 15.32 35.93 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.553 -0.832 . . . . 0.49 111.91 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 42' ' ' LEU . . . . . 0.593 HD12 HD11 ' S' ' 51' ' ' LEU . 65.6 mt -77.73 133.65 66.17 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-O 120.514 0.197 . . . . 1.11 110.599 -179.607 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 43' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -53.99 155.77 14.18 Favored 'Trans proline' 0 N--CA 1.462 -0.36 0 C-N-CA 122.834 2.356 . . . . 0.62 112.546 177.019 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 44' ' ' TYR . . . . . 0.835 ' HA ' ' HB3' ' S' ' 75' ' ' SER . 13.4 m-85 -79.43 2.06 23.19 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.636 -0.711 . . . . 2.81 111.436 -171.678 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 45' ' ' HIS . . . . . . . . . . . . . 4.3 p80 -117.49 4.88 12.44 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.109 0.481 . . . . 3.13 109.908 178.016 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 46' ' ' THR . . . . . 0.412 HG21 ' HB ' ' S' ' 50' ' ' THR . 91.0 m -77.82 126.43 30.85 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.953 -0.567 . . . . 1.14 110.882 -178.41 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 47' ' ' SER . . . . . 0.496 ' HB2' ' HG2' ' S' ' 49' ' ' LYS . 5.1 m -97.57 168.18 10.52 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.104 -0.498 . . . . 0.68 110.436 -178.847 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 48' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -55.62 -39.63 71.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.067 -0.515 . . . . 1.29 110.873 178.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 49' ' ' LYS . . . . . 0.496 ' HG2' ' HB2' ' S' ' 47' ' ' SER . 14.1 ptmt -60.21 -28.38 67.94 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.638 -0.71 . . . . 3.0 111.528 179.626 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 50' ' ' THR . . . . . 0.412 ' HB ' HG21 ' S' ' 46' ' ' THR . 15.1 m -77.8 -44.24 28.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.966 0.412 . . . . 1.15 110.132 -179.435 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 51' ' ' LEU . . . . . 0.593 HD11 HD12 ' S' ' 42' ' ' LEU . 36.4 tp -59.71 -41.93 91.92 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.586 0.708 . . . . 1.23 109.564 174.246 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 52' ' ' HIS . . . . . . . . . . . . . 30.7 t-80 -63.71 -45.35 90.35 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.06 -0.973 . . . . 0.73 110.925 176.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 53' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -46.81 -49.44 19.97 Favored 'General case' 0 N--CA 1.467 0.38 0 O-C-N 123.789 0.681 . . . . 2.24 111.619 179.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 54' ' ' TYR . . . . . . . . . . . . . 45.8 t80 -76.67 -40.88 47.59 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.224 -0.444 . . . . 1.2 111.838 -174.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 55' ' ' PHE . . . . . . . . . . . . . 41.4 m-85 -86.42 -22.73 26.38 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 114.355 1.243 . . . . 0.68 114.355 -169.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 56' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -65.23 -16.7 63.82 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 121.796 0.808 . . . . 1.47 109.666 179.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 57' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -60.58 -23.97 65.09 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.995 -1.002 . . . . 3.67 111.49 175.666 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 58' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -99.78 1.41 43.13 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.183 -0.462 . . . . 0.71 111.683 -175.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 59' ' ' GLY . . . . . . . . . . . . . . . 138.53 173.92 13.2 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.975 -0.631 . . . . 0.51 111.876 178.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 60' ' ' ASP . . . . . 0.416 ' HB2' ' CE ' ' S' ' 84' ' ' LYS . 26.1 m-20 -63.89 135.61 56.69 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 120.935 0.397 . . . . 1.99 110.482 178.808 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 61' ' ' ILE . . . . . 0.685 HG22 ' HB3' ' S' ' 64' ' ' ALA . 66.9 mt -107.07 134.6 48.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.707 -0.679 . . . . 1.13 110.438 -178.48 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 62' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -83.85 -40.39 18.71 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.619 0.247 . . . . 1.91 110.638 178.088 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 63' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -147.5 121.22 9.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.313 -0.403 . . . . 1.81 110.885 179.212 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 64' ' ' ALA . . . . . 0.685 ' HB3' HG22 ' S' ' 61' ' ' ILE . . . -139.59 100.82 4.07 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.482 -0.326 . . . . 1.14 110.283 175.758 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 65' ' ' VAL . . . . . . . . . . . . . 35.0 m -137.09 148.36 26.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.275 -0.42 . . . . 1.07 111.33 -177.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 66' ' ' VAL . . . . . . . . . . . . . 40.9 t -99.33 114.08 36.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 108.62 -0.881 . . . . 1.07 108.62 173.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 67' ' ' ILE . . . . . . . . . . . . . 34.4 mm -69.87 128.74 33.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.677 0.275 . . . . 1.19 110.681 -173.528 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 68' ' ' THR . . . . . . . . . . . . . 19.9 p -96.5 157.36 15.93 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 116.051 -0.522 . . . . 1.27 110.607 -179.328 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 69' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.63 151.89 30.32 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.745 -0.465 . . . . 1.75 109.745 178.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 70' ' ' ARG . . . . . . . . . . . . . 65.1 mtt180 -80.54 -6.59 58.46 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.41 0.522 . . . . 4.77 112.41 -174.353 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 71' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -92.51 -56.64 2.95 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.699 -0.228 . . . . 2.82 110.91 -177.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 72' ' ' THR . . . . . . . . . . . . . 33.8 p -112.35 -4.29 14.32 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.652 0.612 . . . . 2.27 112.652 -175.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 73' ' ' GLN . . . . . . . . . . . . . 75.1 mm-40 61.37 38.89 15.86 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.019 0.438 . . . . 2.59 111.246 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 74' ' ' LYS . . . . . . . . . . . . . 57.2 mttp -109.4 170.53 8.0 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.079 -0.51 . . . . 3.24 109.886 174.227 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 75' ' ' SER . . . . . 0.835 ' HB3' ' HA ' ' S' ' 44' ' ' TYR . 41.2 t -61.31 139.63 58.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.922 0.391 . . . . 1.54 111.358 -177.606 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 76' ' ' ARG . . . . . . . . . . . . . 24.3 mtp180 -88.81 7.5 33.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.807 -0.633 . . . . 2.96 110.496 175.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 77' ' ' GLY . . . . . . . . . . . . . . . 90.13 13.42 60.46 Favored Glycine 0 N--CA 1.45 -0.397 0 CA-C-N 115.9 -0.591 . . . . 0.63 113.18 173.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 78' ' ' TYR . . . . . . . . . . . . . 36.5 p90 -162.34 163.81 27.72 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.179 0.514 . . . . 1.05 111.378 179.3 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 79' ' ' GLY . . . . . . . . . . . . . . . -145.0 166.42 27.5 Favored Glycine 0 N--CA 1.443 -0.861 0 N-CA-C 111.086 -0.805 . . . . 0.19 111.086 177.187 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 80' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -118.97 136.61 54.01 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 117.003 0.402 . . . . 0.47 110.686 -178.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 81' ' ' VAL . . . . . . . . . . . . . 21.5 t -124.4 118.43 53.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.229 -0.441 . . . . 1.11 110.444 178.385 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 82' ' ' THR . . . . . . . . . . . . . 11.9 m -105.76 115.01 29.51 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 109.533 -0.543 . . . . 1.09 109.533 177.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 83' ' ' MET . . . . . 0.412 ' SD ' HG12 ' S' ' 61' ' ' ILE . 92.7 mmm -90.37 173.74 7.95 Favored 'General case' 0 C--N 1.331 -0.201 0 O-C-N 123.706 0.628 . . . . 1.13 111.277 -175.688 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 84' ' ' LYS . . . . . 0.416 ' CE ' ' HB2' ' S' ' 60' ' ' ASP . 19.3 ptpt -70.36 -37.18 74.56 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.862 -0.608 . . . . 2.79 111.742 -176.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 85' ' ' ASP . . . . . . . . . . . . . 22.0 p30 -152.62 -176.61 5.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.44 -0.345 . . . . 1.85 110.89 -175.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 86' ' ' ARG . . . . . 0.658 HH12 HD12 ' S' ' 109' ' ' LEU . 28.0 tpt180 -65.32 -43.55 90.66 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.281 -0.418 . . . . 4.59 111.146 179.24 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 87' ' ' ALA . . . . . 0.408 ' O ' ' HG3' ' S' ' 91' ' ' ARG . . . -58.21 -48.27 80.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.856 0.36 . . . . 1.26 111.412 -176.054 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 88' ' ' SER . . . . . . . . . . . . . 6.3 p -63.7 -38.31 90.63 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.311 -0.404 . . . . 1.26 110.926 178.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.9 -44.57 96.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.032 -0.531 . . . . 1.17 110.835 177.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 90' ' ' GLU . . . . . 0.676 ' HA ' ' SG ' ' S' ' 93' ' ' CYS . 59.4 mt-10 -65.74 -33.93 77.02 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.254 -0.43 . . . . 1.85 110.853 -178.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 91' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' S' ' 91' ' ' ARG . 69.7 mtt180 -60.56 -38.04 83.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.923 0.392 . . . . 3.45 110.529 175.379 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 92' ' ' ALA . . . . . . . . . . . . . . . -77.0 -41.91 40.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.871 -0.604 . . . . 1.15 111.395 -178.198 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 93' ' ' CYS . . . . . 0.676 ' SG ' ' HA ' ' S' ' 90' ' ' GLU . 29.0 p -88.35 12.05 15.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.926 0.393 . . . . 2.24 110.839 178.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 94' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.51 -47.85 78.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.685 -0.689 . . . . 3.42 109.652 175.724 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 95' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -111.49 113.15 53.75 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-N 115.797 -0.638 . . . . 2.13 109.87 -179.092 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 96' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.53 -28.34 45.5 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.936 2.424 . . . . 1.08 113.524 -173.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 97' ' ' ASN . . . . . 0.411 HD21 ' HA ' ' S' ' 97' ' ' ASN . 7.6 m120 -131.12 79.07 71.71 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 120.845 0.355 . . . . 1.08 111.501 -175.25 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 98' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -89.92 167.92 4.66 Favored 'Trans proline' 0 N--CA 1.453 -0.858 0 C-N-CA 122.791 2.327 . . . . 0.76 112.477 177.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 99' ' ' ILE . . . . . . . . . . . . . 50.8 mm -100.78 100.98 11.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.974 0.416 . . . . 1.19 110.084 179.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 100' ' ' ILE . . . . . . . . . . . . . 48.1 mt -109.84 123.55 65.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.094 -0.503 . . . . 1.18 109.856 -179.264 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 101' ' ' ASP . . . . . . . . . . . . . 30.2 t70 64.17 14.43 8.6 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 121.507 0.67 . . . . 1.4 110.897 178.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 102' ' ' GLY . . . . . . . . . . . . . . . 100.41 -4.55 56.89 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.829 -0.701 . . . . 0.93 113.131 177.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 103' ' ' ARG . . . . . . . . . . . . . 9.2 mmt180 -116.95 157.33 25.92 Favored 'General case' 0 N--CA 1.452 -0.368 0 O-C-N 122.63 -0.335 . . . . 3.59 110.54 179.195 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 104' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -87.43 122.81 31.66 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.659 0.266 . . . . 2.58 110.581 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 105' ' ' ALA . . . . . . . . . . . . . . . -105.99 165.44 11.21 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.081 -0.508 . . . . 1.06 111.282 -176.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 106' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -110.51 109.47 19.82 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.41 -0.589 . . . . 2.54 109.41 178.124 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 107' ' ' VAL . . . . . . . . . . . . . 53.7 t -102.59 126.74 56.71 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 N-CA-C 110.051 -0.351 . . . . 1.22 110.051 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 108' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -162.54 157.67 22.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 1.76 109.871 -176.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 109' ' ' LEU . . . . . 0.658 HD12 HH12 ' S' ' 86' ' ' ARG . 96.6 mt -73.59 133.37 43.49 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.74 -0.467 . . . . 1.22 109.74 176.544 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.74 -28.97 70.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.039 0.447 . . . . 1.25 110.858 179.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 111' ' ' TYR . . . . . 0.441 ' HB2' ' HB2' ' S' ' 33' ' ' MET . 0.0 OUTLIER -74.46 -13.25 60.68 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.657 -0.701 . . . . 1.7 111.234 -179.346 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' S' S ' 112' ' ' LEU . . . . . . . . . . . . . 81.2 mt -94.99 6.56 48.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.643 -0.253 . . . . 1.6 111.013 179.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 113' ' ' GLY . . . . . . . . . . . . . . . 109.45 84.98 1.62 Allowed Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.528 -0.844 . . . . 2.01 112.352 179.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 114' ' ' ALA . . . . . . . . . . . . . . . -78.2 99.91 6.43 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.085 0.469 . . . . 1.7 111.169 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 115' ' ' LYS . . . . . 0.521 ' HB2' ' HZ2' ' S' ' 115' ' ' LYS . 0.2 OUTLIER -106.22 99.12 21.8 Favored Pre-proline 0 C--N 1.325 -0.457 0 N-CA-C 109.445 -0.576 . . . . 5.63 109.445 174.674 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' S' S ' 116' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_exo -72.68 -53.8 0.14 Allowed 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.755 2.303 . . . . 3.16 112.626 -177.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 117' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -146.46 11.67 1.15 Allowed 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.458 -0.792 . . . . 5.14 110.196 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 118' ' ' THR . . . . . . . . . . . . . 11.9 p -87.12 -68.68 0.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.132 -0.485 . . . . 6.65 111.019 -177.365 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 119' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 60.69 -162.51 0.27 Allowed 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.889 -0.596 . . . . 7.34 110.652 -178.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 120' ' ' VAL . . . . . . . . . . . . . 41.3 t -92.26 -27.27 4.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.317 0.58 . . . . 9.17 110.17 178.141 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 121' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 . . . . . 0 C--O 1.245 0.818 0 CA-C-O 118.351 -0.833 . . . . 11.88 109.636 -179.397 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' S' S ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.587 0 N-CA-C 111.843 -0.503 . . . . 11.27 111.843 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' S' S ' 26' ' ' ALA . . . . . . . . . . . . . . . -129.19 130.73 46.71 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 110.03 -0.359 . . . . 9.73 110.03 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 27' ' ' MET . . . . . . . . . . . . . 23.8 ptp -151.01 -178.01 6.35 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.368 -0.378 . . . . 10.2 110.548 -178.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 28' ' ' GLY . . . . . . . . . . . . . . . 103.88 -105.36 2.62 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.854 -0.689 . . . . 6.05 111.46 -178.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 29' ' ' SER . . . . . . . . . . . . . 17.6 m 64.64 -177.41 0.17 Allowed 'General case' 0 CA--C 1.531 0.239 0 CA-C-O 121.123 0.487 . . . . 4.57 111.419 177.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 30' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -113.38 134.36 54.68 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.592 -0.522 . . . . 7.76 109.592 177.418 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 31' ' ' ASP . . . . . . . . . . . . . 52.3 t0 -69.43 101.26 1.53 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.474 0.654 . . . . 3.39 111.116 -179.003 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 32' ' ' THR . . . . . 0.471 ' HA ' ' OG1' ' S' ' 35' ' ' THR . 0.9 OUTLIER -115.76 14.57 16.37 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 114.889 -1.05 . . . . 1.79 108.987 172.851 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 55.8 ttm -84.99 -54.93 4.33 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.179 -0.919 . . . . 2.01 110.6 -179.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 34' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -93.37 4.7 53.55 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.041 -0.527 . . . . 1.16 111.4 -175.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 35' ' ' THR . . . . . 0.631 ' O ' ' HA ' ' S' ' 82' ' ' THR . 18.3 p -110.2 -11.02 14.62 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.319 -0.4 . . . . 1.22 110.452 -178.235 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 36' ' ' LYS . . . . . 0.415 ' HB2' ' O ' ' S' ' 32' ' ' THR . 79.0 tttt -94.17 103.42 15.46 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.617 -0.72 . . . . 2.47 111.068 -172.502 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 37' ' ' ILE . . . . . 0.544 HD12 ' HA ' ' S' ' 89' ' ' ALA . 72.3 mt -95.84 131.66 42.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.947 -0.57 . . . . 1.18 110.371 177.698 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 38' ' ' PHE . . . . . 0.462 ' HD1' ' CE1' ' S' ' 80' ' ' PHE . 92.6 t80 -98.52 123.76 42.87 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.374 -0.602 . . . . 0.57 109.374 176.558 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 39' ' ' VAL . . . . . . . . . . . . . 21.7 t -121.67 104.08 14.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.442 -0.345 . . . . 1.01 110.333 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 40' ' ' GLY . . . . . . . . . . . . . . . -114.85 165.21 12.05 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.914 -0.66 . . . . 0.27 112.073 -178.062 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 41' ' ' GLY . . . . . . . . . . . . . . . 94.37 25.78 15.39 Favored Glycine 0 C--O 1.229 -0.182 0 C-N-CA 121.047 -0.597 . . . . 0.49 111.999 178.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 42' ' ' LEU . . . . . 0.598 HD11 HG22 ' S' ' 46' ' ' THR . 69.7 mt -99.83 146.79 32.48 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-O 120.574 0.226 . . . . 1.11 110.687 -177.003 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 43' ' ' PRO . . . . . 0.453 ' HG3' ' HG3' ' S' ' 103' ' ' ARG . 17.2 Cg_exo -67.98 165.97 26.34 Favored 'Trans proline' 0 N--CA 1.462 -0.335 0 C-N-CA 122.444 2.096 . . . . 0.62 111.571 172.398 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 44' ' ' TYR . . . . . 0.402 ' HA ' ' HB3' ' S' ' 75' ' ' SER . 20.9 m-85 -66.49 -16.36 64.07 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 121.373 0.606 . . . . 2.81 111.213 -178.353 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 45' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -84.94 -6.46 59.34 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.508 -0.769 . . . . 3.13 110.791 -174.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 46' ' ' THR . . . . . 0.598 HG22 HD11 ' S' ' 42' ' ' LEU . 6.5 m -75.63 110.39 9.99 Favored 'General case' 0 N--CA 1.443 -0.79 0 N-CA-C 109.584 -0.524 . . . . 1.14 109.584 -176.454 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 47' ' ' SER . . . . . . . . . . . . . 15.7 m -89.9 166.55 13.43 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.072 0.463 . . . . 0.68 110.754 -178.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 48' ' ' ASP . . . . . 0.421 ' CB ' ' HA ' ' S' ' 65' ' ' VAL . 30.1 p-10 -59.89 -43.71 94.64 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.874 -0.603 . . . . 1.29 110.809 178.791 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 49' ' ' LYS . . . . . . . . . . . . . 54.1 pttt -61.97 -31.96 72.36 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.711 -0.677 . . . . 3.0 111.229 176.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 50' ' ' THR . . . . . . . . . . . . . 7.8 m -68.17 -46.78 69.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.084 0.469 . . . . 1.15 110.239 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 51' ' ' LEU . . . . . 0.426 HD23 ' HA3' ' S' ' 79' ' ' GLY . 34.7 tp -59.38 -42.95 92.85 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.468 -0.787 . . . . 1.23 109.941 176.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 52' ' ' HIS . . . . . 0.429 ' CD2' HD13 ' S' ' 61' ' ' ILE . 58.5 t-80 -61.85 -46.73 88.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.558 -0.746 . . . . 0.73 110.629 177.431 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 53' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -54.02 -38.04 64.72 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 122.761 0.424 . . . . 2.24 111.464 -177.168 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 54' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -77.25 -41.58 40.52 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.98 0.419 . . . . 1.2 111.52 -177.309 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 55' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -85.03 -20.15 30.88 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.33 0.493 . . . . 0.68 112.33 -174.202 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 56' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -57.04 -23.54 47.24 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.435 0.636 . . . . 1.47 110.228 178.396 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 57' ' ' GLN . . . . . . . . . . . . . 19.3 tp60 -55.64 -34.24 64.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.141 -0.936 . . . . 3.67 111.541 174.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 58' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -93.24 -6.37 47.77 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 112.093 0.405 . . . . 0.71 112.093 -172.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 59' ' ' GLY . . . . . . . . . . . . . . . 141.71 -168.63 25.5 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.444 -0.884 . . . . 0.51 112.997 177.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 60' ' ' ASP . . . . . 0.696 ' HB2' ' HD2' ' S' ' 84' ' ' LYS . 10.1 m-20 -72.14 143.32 49.0 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 120.9 0.381 . . . . 1.99 110.786 -178.17 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 61' ' ' ILE . . . . . 0.776 HG22 ' HB3' ' S' ' 64' ' ' ALA . 61.6 mt -119.8 125.34 74.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.936 -0.575 . . . . 1.13 110.498 -178.094 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 62' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -81.03 -31.51 34.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 1.91 110.96 -178.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 63' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -155.11 116.99 4.12 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.034 -0.53 . . . . 1.81 110.062 -177.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 64' ' ' ALA . . . . . 0.776 ' HB3' HG22 ' S' ' 61' ' ' ILE . . . -139.39 100.9 4.11 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.733 0.301 . . . . 1.14 110.355 177.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 65' ' ' VAL . . . . . 0.421 ' HA ' ' CB ' ' S' ' 48' ' ' ASP . 21.6 m -140.27 142.26 31.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 120.808 0.337 . . . . 1.07 111.082 -177.449 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 66' ' ' VAL . . . . . . . . . . . . . 91.7 t -90.12 118.06 34.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 108.337 -0.986 . . . . 1.07 108.337 171.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 67' ' ' ILE . . . . . 0.406 HG23 ' HD3' ' S' ' 76' ' ' ARG . 46.8 mm -68.83 123.95 23.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.25 -0.432 . . . . 1.19 111.466 -171.232 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 68' ' ' THR . . . . . . . . . . . . . 7.7 p -93.34 146.94 23.36 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 115.627 -0.715 . . . . 1.27 109.88 176.322 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 69' ' ' ASP . . . . . 0.539 ' O ' ' HA ' ' S' ' 73' ' ' GLN . 18.2 t70 -65.52 149.72 49.58 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.238 -0.437 . . . . 1.75 110.802 -179.589 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 70' ' ' ARG . . . . . . . . . . . . . 57.5 mtp180 -78.92 -29.76 44.38 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.345 -0.389 . . . . 4.77 111.058 -175.198 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 71' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -86.34 -56.24 3.53 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.369 -0.378 . . . . 2.82 111.536 -179.104 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 72' ' ' THR . . . . . . . . . . . . . 61.5 p -86.1 -24.16 26.39 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.189 -0.46 . . . . 2.27 111.937 -175.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 73' ' ' GLN . . . . . 0.848 ' HA ' HE21 ' S' ' 73' ' ' GLN . 0.0 OUTLIER 66.17 19.38 11.1 Favored 'General case' 0 N--CA 1.465 0.318 0 O-C-N 123.573 0.546 . . . . 2.59 111.166 -176.394 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' S' S ' 74' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -94.66 162.73 13.66 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.038 -0.528 . . . . 3.24 109.786 177.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 75' ' ' SER . . . . . 0.402 ' HB3' ' HA ' ' S' ' 44' ' ' TYR . 47.8 t -63.42 137.97 58.35 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.86 0.362 . . . . 1.54 110.679 -179.647 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 76' ' ' ARG . . . . . 0.644 ' HE ' ' HH ' ' S' ' 78' ' ' TYR . 32.8 mtp85 -93.48 3.17 55.99 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.262 -0.427 . . . . 2.96 111.287 -178.321 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 77' ' ' GLY . . . . . . . . . . . . . . . 87.14 20.32 53.14 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.592 -0.813 . . . . 0.63 114.077 172.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 78' ' ' TYR . . . . . 0.644 ' HH ' ' HE ' ' S' ' 76' ' ' ARG . 39.0 p90 -166.27 159.37 14.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 117.144 0.472 . . . . 1.05 110.455 178.506 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 79' ' ' GLY . . . . . 0.426 ' HA3' HD23 ' S' ' 51' ' ' LEU . . . -140.64 165.43 26.13 Favored Glycine 0 N--CA 1.447 -0.628 0 N-CA-C 111.411 -0.676 . . . . 0.19 111.411 179.301 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 80' ' ' PHE . . . . . 0.462 ' CE1' ' HD1' ' S' ' 38' ' ' PHE . 96.6 m-85 -113.78 137.56 51.47 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 110.118 -0.327 . . . . 0.47 110.118 177.662 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 81' ' ' VAL . . . . . . . . . . . . . 37.4 t -121.47 112.73 36.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.182 -0.463 . . . . 1.11 110.262 178.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 82' ' ' THR . . . . . 0.631 ' HA ' ' O ' ' S' ' 35' ' ' THR . 23.2 m -102.39 107.11 18.01 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.295 -0.631 . . . . 1.09 109.295 176.307 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 83' ' ' MET . . . . . 0.484 ' SD ' HG12 ' S' ' 61' ' ' ILE . 92.4 mmm -79.81 159.11 26.63 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 110.104 -0.332 . . . . 1.13 110.104 -178.04 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 84' ' ' LYS . . . . . 0.696 ' HD2' ' HB2' ' S' ' 60' ' ' ASP . 9.8 ptmm? -66.7 -28.66 68.62 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 121.086 0.47 . . . . 2.79 110.475 -179.734 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 85' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -135.46 153.86 51.62 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 116.061 -0.518 . . . . 1.85 111.186 -178.036 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 86' ' ' ARG . . . . . . . . . . . . . 82.3 mtm180 -67.2 -27.33 67.17 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.295 -0.866 . . . . 4.59 110.171 178.166 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 87' ' ' ALA . . . . . 0.511 ' O ' ' HG3' ' S' ' 90' ' ' GLU . . . -66.74 -40.08 88.19 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.146 -0.479 . . . . 1.26 110.748 177.203 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 88' ' ' SER . . . . . . . . . . . . . 15.3 m -67.74 -33.45 74.88 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.225 0.536 . . . . 1.26 110.196 177.291 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 89' ' ' ALA . . . . . 0.544 ' HA ' HD12 ' S' ' 37' ' ' ILE . . . -65.31 -46.91 78.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.506 -0.77 . . . . 1.17 111.182 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 90' ' ' GLU . . . . . 0.614 ' O ' ' HG2' ' S' ' 94' ' ' LYS . 2.6 pp20? -66.98 -30.55 70.69 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.739 -0.384 . . . . 1.85 111.033 -179.022 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 91' ' ' ARG . . . . . 0.508 ' HG3' ' O ' ' S' ' 87' ' ' ALA . 99.3 mtt180 -57.03 -50.78 71.67 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 121.005 0.431 . . . . 3.45 110.591 175.411 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.13 -28.88 66.85 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.864 -0.607 . . . . 1.15 111.008 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 93' ' ' CYS . . . . . . . . . . . . . 49.8 t -80.52 -9.68 59.76 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.081 -0.509 . . . . 2.24 111.438 -177.059 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 94' ' ' LYS . . . . . 0.614 ' HG2' ' O ' ' S' ' 90' ' ' GLU . 28.6 mmtp -74.29 -9.86 59.02 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 122.258 -0.276 . . . . 3.42 111.555 178.404 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 95' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -120.97 89.26 45.75 Favored Pre-proline 0 C--N 1.327 -0.404 0 N-CA-C 108.667 -0.864 . . . . 2.13 108.667 172.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 96' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_exo -67.84 -29.83 34.47 Favored 'Trans proline' 0 C--O 1.234 0.276 0 C-N-CA 122.997 2.465 . . . . 1.08 113.709 -171.025 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 97' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -128.78 77.18 78.04 Favored Pre-proline 0 N--CA 1.467 0.404 0 CA-C-O 120.556 0.217 . . . . 1.08 110.963 -178.266 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 98' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -84.91 151.86 11.2 Favored 'Trans proline' 0 N--CA 1.455 -0.782 0 C-N-CA 123.198 2.599 . . . . 0.76 112.095 178.476 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 99' ' ' ILE . . . . . . . . . . . . . 48.9 mm -93.31 108.32 20.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 116.012 -0.54 . . . . 1.19 110.544 178.14 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 100' ' ' ILE . . . . . . . . . . . . . 62.7 mt -116.82 122.85 70.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.51 -0.768 . . . . 1.18 109.473 179.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 101' ' ' ASP . . . . . . . . . . . . . 38.5 t70 65.67 15.47 10.06 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 121.913 0.863 . . . . 1.4 110.358 -178.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 102' ' ' GLY . . . . . . . . . . . . . . . 89.72 -0.81 80.41 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.75 -0.738 . . . . 0.93 111.55 -177.29 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 103' ' ' ARG . . . . . 0.453 ' HG3' ' HG3' ' S' ' 43' ' ' PRO . 35.4 mmt180 -103.18 151.84 22.15 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-O 120.801 0.334 . . . . 3.59 110.794 -179.468 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 104' ' ' LYS . . . . . 0.402 ' HE3' ' HB2' ' S' ' 104' ' ' LYS . 35.5 ttmt -89.51 108.82 19.88 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.239 -0.437 . . . . 2.58 110.172 -178.604 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 105' ' ' ALA . . . . . . . . . . . . . . . -94.44 157.62 15.92 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.235 -0.439 . . . . 1.06 111.113 -177.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 106' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -111.23 110.06 20.37 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.906 -0.588 . . . . 2.54 109.66 178.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 107' ' ' VAL . . . . . . . . . . . . . 75.2 t -109.7 127.08 66.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 120.958 0.409 . . . . 1.22 110.669 -178.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 108' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -163.97 151.74 12.6 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.786 -0.643 . . . . 1.76 109.903 -179.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 109' ' ' LEU . . . . . . . . . . . . . 94.8 mt -65.77 129.94 41.53 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.439 -0.578 . . . . 1.22 109.439 175.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.28 -24.27 67.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.021 0.439 . . . . 1.25 111.189 -176.215 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 111' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -73.39 -16.28 61.34 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.762 -0.654 . . . . 1.7 110.986 179.653 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 112' ' ' LEU . . . . . . . . . . . . . 85.6 mt -92.54 2.97 56.39 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.336 -0.393 . . . . 1.6 110.472 177.05 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 113' ' ' GLY . . . . . . . . . . . . . . . 123.65 100.9 1.46 Allowed Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.532 -0.842 . . . . 2.01 112.537 178.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 114' ' ' ALA . . . . . . . . . . . . . . . -100.1 112.55 24.85 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.767 0.317 . . . . 1.7 110.464 178.117 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 115' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -113.33 98.19 45.58 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 116.323 -0.399 . . . . 5.63 110.729 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 116' ' ' PRO . . . . . . . . . . . . . 8.5 Cg_exo -72.58 -72.74 0.02 OUTLIER 'Trans proline' 0 N--CA 1.462 -0.355 0 C-N-CA 122.866 2.378 . . . . 3.16 111.924 177.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 117' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -171.15 134.3 0.91 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.226 -0.897 . . . . 5.14 110.025 179.088 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 118' ' ' THR . . . . . . . . . . . . . 21.5 p -137.88 147.19 44.21 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.54 -0.3 . . . . 6.65 110.271 177.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 119' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -92.06 137.4 32.39 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.406 -0.59 . . . . 7.34 109.406 175.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 120' ' ' VAL . . . . . . . . . . . . . 27.7 m -65.92 -32.46 58.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 108.941 -0.762 . . . . 9.17 108.941 171.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 121' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 . . . . . 0 C--O 1.245 0.863 0 CA-C-N 114.822 -1.081 . . . . 11.88 108.93 171.882 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' S' S ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.628 0 N-CA-C 112.292 -0.323 . . . . 11.27 112.292 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' S' S ' 26' ' ' ALA . . . . . . . . . . . . . . . 59.78 86.43 0.09 Allowed 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 123.22 0.608 . . . . 9.73 111.972 177.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 27' ' ' MET . . . . . . . . . . . . . 44.5 tpp -100.11 123.64 44.58 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.267 -0.424 . . . . 10.2 110.639 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 28' ' ' GLY . . . . . . . . . . . . . . . 138.31 -56.96 0.65 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 121.061 -0.59 . . . . 6.05 112.37 178.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 29' ' ' SER . . . . . . . . . . . . . 21.1 m 70.3 166.66 0.29 Allowed 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.086 0.554 . . . . 4.57 111.324 -178.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 30' ' ' ARG . . . . . . . . . . . . . 4.3 mpt_? -108.19 105.31 14.98 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.83 -0.433 . . . . 7.76 109.83 176.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 31' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -67.19 -27.5 67.32 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.642 -0.708 . . . . 3.39 110.455 -177.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 32' ' ' THR . . . . . 0.557 ' HA ' ' OG1' ' S' ' 35' ' ' THR . 25.1 p -73.22 -0.16 13.54 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 113.29 0.848 . . . . 1.79 113.29 -172.656 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 25.6 ttt -64.67 -37.14 86.56 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.121 0.486 . . . . 2.01 110.745 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 34' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -108.67 14.45 24.44 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.991 -0.549 . . . . 1.16 111.65 -175.023 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 35' ' ' THR . . . . . 0.557 ' OG1' ' HA ' ' S' ' 32' ' ' THR . 74.9 p -123.78 -3.43 8.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.876 0.37 . . . . 1.22 110.779 -179.695 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' S' S ' 36' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -91.93 103.1 15.66 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.612 0.72 . . . . 2.47 110.472 -178.491 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 37' ' ' ILE . . . . . 0.622 HD12 ' HA ' ' S' ' 89' ' ' ALA . 63.2 mt -96.17 142.44 13.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 114.987 -1.006 . . . . 1.18 111.0 -176.66 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' S' S ' 38' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -104.91 133.28 49.97 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.875 -0.602 . . . . 0.57 109.616 173.275 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 39' ' ' VAL . . . . . . . . . . . . . 20.7 t -126.33 103.05 10.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.382 -0.372 . . . . 1.01 110.03 178.186 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 40' ' ' GLY . . . . . . . . . . . . . . . -113.79 152.82 17.91 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.471 -0.871 . . . . 0.27 112.002 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 41' ' ' GLY . . . . . . . . . . . . . . . 99.31 38.62 3.71 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.651 -0.785 . . . . 0.49 111.66 -179.12 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 42' ' ' LEU . . . . . 0.483 ' O ' ' HA2' ' S' ' 77' ' ' GLY . 57.8 mt -104.14 144.64 29.11 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-N 115.494 -0.353 . . . . 1.11 110.289 -178.104 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' S' S ' 43' ' ' PRO . . . . . 0.491 ' HD2' ' OG1' ' S' ' 46' ' ' THR . 18.4 Cg_exo -66.85 167.39 19.68 Favored 'Trans proline' 0 N--CA 1.46 -0.491 0 C-N-CA 122.292 1.994 . . . . 0.62 111.612 173.125 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' S' S ' 44' ' ' TYR . . . . . 0.807 ' HA ' ' HB3' ' S' ' 75' ' ' SER . 6.5 m-85 -73.06 -9.88 59.2 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.01 -0.541 . . . . 2.81 110.748 -175.337 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' S' S ' 45' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -89.66 -10.59 45.26 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.668 -0.696 . . . . 3.13 109.379 -178.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 46' ' ' THR . . . . . 0.54 HG23 HG22 ' S' ' 66' ' ' VAL . 91.1 m -85.35 110.15 18.91 Favored 'General case' 0 N--CA 1.437 -1.105 0 CA-C-N 115.464 -0.789 . . . . 1.14 109.655 -178.408 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' S' S ' 47' ' ' SER . . . . . . . . . . . . . 43.2 m -109.72 -175.05 2.64 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.835 -0.62 . . . . 0.68 110.575 -178.242 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 48' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -49.33 -49.49 43.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.834 -0.621 . . . . 1.29 111.216 176.012 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' S' S ' 49' ' ' LYS . . . . . 0.419 ' HG3' ' N ' ' S' ' 50' ' ' THR . 0.7 OUTLIER -58.38 -36.85 74.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.326 -0.397 . . . . 3.0 111.3 179.496 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' S' S ' 50' ' ' THR . . . . . 0.419 ' N ' ' HG3' ' S' ' 49' ' ' LYS . 4.6 m -69.71 -46.14 66.64 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 120.732 0.301 . . . . 1.15 110.809 -175.473 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' S' S ' 51' ' ' LEU . . . . . . . . . . . . . 12.5 tp -65.49 -40.09 92.68 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-O 120.936 0.398 . . . . 1.23 110.321 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 52' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -64.33 -46.2 84.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.73 110.303 177.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 53' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -51.4 -43.24 61.89 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 115.382 -0.826 . . . . 2.24 111.622 -178.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 54' ' ' TYR . . . . . . . . . . . . . 43.4 t80 -76.29 -41.44 48.69 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.966 -0.561 . . . . 1.2 111.604 -175.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 55' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -85.57 -20.79 29.04 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 113.033 0.753 . . . . 0.68 113.033 -172.044 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 56' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -60.57 -21.11 62.22 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 121.138 0.494 . . . . 1.47 111.001 -179.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 57' ' ' GLN . . . . . . . . . . . . . 19.8 tp60 -60.59 -36.94 79.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.048 0.452 . . . . 3.67 110.812 175.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 58' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -81.91 -16.56 50.17 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.435 -0.348 . . . . 0.71 111.329 -174.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 59' ' ' GLY . . . . . . . . . . . . . . . 156.71 178.39 30.76 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.422 -0.894 . . . . 0.51 112.724 178.327 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 60' ' ' ASP . . . . . 0.405 ' HB3' ' HD3' ' S' ' 84' ' ' LYS . 26.0 t70 -71.19 147.75 48.0 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-O 120.877 0.37 . . . . 1.99 110.496 178.283 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' S' S ' 61' ' ' ILE . . . . . 0.614 HG22 ' HB3' ' S' ' 64' ' ' ALA . 51.6 mt -122.93 139.21 50.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.801 -0.636 . . . . 1.13 111.288 -169.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' S' S ' 62' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -88.41 -48.57 7.53 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.072 0.463 . . . . 1.91 110.624 174.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 63' ' ' GLU . . . . . 0.489 ' O ' ' HA ' ' S' ' 81' ' ' VAL . 3.4 tp10 -128.91 124.89 36.34 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.882 -0.599 . . . . 1.81 109.938 -176.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' S' S ' 64' ' ' ALA . . . . . 0.614 ' HB3' HG22 ' S' ' 61' ' ' ILE . . . -149.95 99.5 2.84 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.783 0.325 . . . . 1.14 110.493 176.387 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' S' S ' 65' ' ' VAL . . . . . . . . . . . . . 30.9 m -146.0 142.44 21.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.944 -0.571 . . . . 1.07 110.708 179.58 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 66' ' ' VAL . . . . . 0.54 HG22 HG23 ' S' ' 46' ' ' THR . 87.6 t -95.18 126.17 47.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 107.606 -1.257 . . . . 1.07 107.606 168.626 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' S' S ' 67' ' ' ILE . . . . . . . . . . . . . 50.6 mm -68.43 127.33 30.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.035 0.445 . . . . 1.19 110.875 -170.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 68' ' ' THR . . . . . . . . . . . . . 37.4 p -101.3 144.25 30.37 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 115.464 -0.789 . . . . 1.27 111.318 -176.116 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 69' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -59.55 140.01 56.67 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.458 -0.792 . . . . 1.75 109.891 175.388 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 70' ' ' ARG . . . . . . . . . . . . . 38.1 mmt180 -74.27 -15.62 60.97 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.238 0.459 . . . . 4.77 112.238 -174.409 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 71' ' ' ASN . . . . . . . . . . . . . 14.3 m-80 -93.84 -56.27 2.94 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.127 0.489 . . . . 2.82 110.25 -176.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 72' ' ' THR . . . . . . . . . . . . . 31.9 p -96.07 -15.23 22.33 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.575 -0.738 . . . . 2.27 112.259 -174.126 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 73' ' ' GLN . . . . . 0.865 ' HA ' HE21 ' S' ' 73' ' ' GLN . 0.0 OUTLIER 64.66 24.26 12.92 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.13 0.49 . . . . 2.59 111.083 -177.53 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' S' S ' 74' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -92.14 165.45 13.14 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.862 -0.608 . . . . 3.24 110.342 177.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 75' ' ' SER . . . . . 0.807 ' HB3' ' HA ' ' S' ' 44' ' ' TYR . 35.8 t -66.36 140.43 58.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.433 -0.348 . . . . 1.54 110.767 179.036 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' S' S ' 76' ' ' ARG . . . . . . . . . . . . . 67.9 mtp180 -101.18 6.04 42.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.066 0.46 . . . . 2.96 110.776 177.207 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 77' ' ' GLY . . . . . 0.483 ' HA2' ' O ' ' S' ' 42' ' ' LEU . . . 90.13 20.85 40.75 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.828 -0.701 . . . . 0.63 114.368 173.089 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' S' S ' 78' ' ' TYR . . . . . . . . . . . . . 46.1 p90 -162.25 151.48 15.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 117.567 0.684 . . . . 1.05 110.976 177.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 79' ' ' GLY . . . . . . . . . . . . . . . -147.59 175.85 26.72 Favored Glycine 0 N--CA 1.444 -0.794 0 C-N-CA 121.162 -0.542 . . . . 0.19 111.878 177.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 80' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -128.38 141.56 51.38 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 110.273 -0.269 . . . . 0.47 110.273 179.081 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 81' ' ' VAL . . . . . 0.489 ' HA ' ' O ' ' S' ' 63' ' ' GLU . 49.9 t -130.75 115.66 31.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.067 0.46 . . . . 1.11 110.652 178.827 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' S' S ' 82' ' ' THR . . . . . . . . . . . . . 24.6 m -101.02 113.33 26.22 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.734 -0.469 . . . . 1.09 109.734 176.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 83' ' ' MET . . . . . . . . . . . . . 91.9 mmm -88.56 167.3 13.52 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 123.645 0.59 . . . . 1.13 110.951 -175.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 84' ' ' LYS . . . . . 0.405 ' HD3' ' HB3' ' S' ' 60' ' ' ASP . 13.4 pttm -80.74 -26.66 37.2 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 116.305 -0.407 . . . . 2.79 111.085 -178.182 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' S' S ' 85' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -129.19 151.11 50.22 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 116.295 -0.412 . . . . 1.85 110.741 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 86' ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -66.3 -31.93 73.03 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.933 -0.766 . . . . 4.59 108.933 172.35 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 87' ' ' ALA . . . . . 0.465 ' O ' ' HG3' ' S' ' 91' ' ' ARG . . . -61.78 -43.82 98.1 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.772 -0.649 . . . . 1.26 110.633 176.646 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' S' S ' 88' ' ' SER . . . . . . . . . . . . . 10.6 m -64.38 -35.08 79.73 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.091 0.472 . . . . 1.26 110.042 177.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 89' ' ' ALA . . . . . 0.622 ' HA ' HD12 ' S' ' 37' ' ' ILE . . . -67.41 -48.76 66.4 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.618 -0.719 . . . . 1.17 111.033 179.783 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' S' S ' 90' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -70.2 -23.14 62.9 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.808 -0.178 . . . . 1.85 111.048 -178.389 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 91' ' ' ARG . . . . . 0.465 ' HG3' ' O ' ' S' ' 87' ' ' ALA . 95.8 mtt180 -66.14 -39.05 89.56 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.017 0.437 . . . . 3.45 110.099 171.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' S' S ' 92' ' ' ALA . . . . . . . . . . . . . . . -74.29 -40.08 62.51 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.834 -0.621 . . . . 1.15 110.653 177.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 93' ' ' CYS . . . . . . . . . . . . . 73.8 m -73.43 -8.22 54.99 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.117 -0.492 . . . . 2.24 111.094 178.05 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 94' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -64.99 -24.32 67.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.06 0.457 . . . . 3.42 109.966 176.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 95' ' ' ASP . . . . . 0.434 ' HA ' ' HD3' ' S' ' 96' ' ' PRO . 36.6 t0 -109.72 99.12 36.67 Favored Pre-proline 0 C--N 1.328 -0.34 0 N-CA-C 108.561 -0.903 . . . . 2.13 108.561 172.708 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' S' S ' 96' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' S' ' 95' ' ' ASP . 11.4 Cg_exo -71.59 -21.95 25.01 Favored 'Trans proline' 0 C--O 1.234 0.312 0 C-N-CA 123.073 2.515 . . . . 1.08 113.398 -171.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' S' S ' 97' ' ' ASN . . . . . 0.687 ' HA ' ' O ' ' S' ' 105' ' ' ALA . 0.3 OUTLIER -152.51 67.89 6.87 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-O 120.759 0.314 . . . . 1.08 111.49 -175.801 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' S' S ' 98' ' ' PRO . . . . . 0.5 ' O ' ' HA ' ' S' ' 104' ' ' LYS . 92.4 Cg_endo -79.61 157.8 25.06 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.967 2.444 . . . . 0.76 112.667 -178.206 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' S' S ' 99' ' ' ILE . . . . . . . . . . . . . 43.1 mm -87.18 100.78 10.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.299 -0.41 . . . . 1.19 110.375 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 100' ' ' ILE . . . . . . . . . . . . . 48.1 mt -111.46 118.51 57.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 116.189 -0.459 . . . . 1.18 109.88 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 101' ' ' ASP . . . . . . . . . . . . . 37.6 t0 60.73 30.08 19.45 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 121.795 0.807 . . . . 1.4 110.476 177.379 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 102' ' ' GLY . . . . . . . . . . . . . . . 87.13 12.91 67.12 Favored Glycine 0 N--CA 1.45 -0.391 0 CA-C-N 115.584 -0.735 . . . . 0.93 113.33 177.159 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 103' ' ' ARG . . . . . . . . . . . . . 5.7 tpp180 -138.28 135.98 36.02 Favored 'General case' 0 C--N 1.322 -0.592 0 O-C-N 122.197 -0.59 . . . . 3.59 109.938 179.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 104' ' ' LYS . . . . . 0.513 ' HB2' ' HZ3' ' S' ' 104' ' ' LYS . 0.2 OUTLIER -77.1 109.58 11.06 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.665 0.745 . . . . 2.58 109.921 179.498 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' S' S ' 105' ' ' ALA . . . . . 0.687 ' O ' ' HA ' ' S' ' 97' ' ' ASN . . . -85.36 156.93 20.67 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.187 -0.915 . . . . 1.06 110.747 -176.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' S' S ' 106' ' ' ASN . . . . . 0.512 ' N ' HD21 ' S' ' 106' ' ' ASN . 0.8 OUTLIER -102.69 109.49 21.1 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 109.217 -0.66 . . . . 2.54 109.217 -179.489 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' S' S ' 107' ' ' VAL . . . . . . . . . . . . . 43.6 t -104.98 126.46 59.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.403 -0.362 . . . . 1.22 110.406 -177.49 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 108' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -164.81 161.85 20.65 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.316 -0.624 . . . . 1.76 109.316 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 109' ' ' LEU . . . . . . . . . . . . . 95.1 mt -77.77 134.91 37.95 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.001 0.429 . . . . 1.22 110.279 -179.456 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 110' ' ' ALA . . . . . . . . . . . . . . . -72.77 -14.43 61.54 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.895 0.702 . . . . 1.25 112.895 -171.257 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 111' ' ' TYR . . . . . . . . . . . . . 8.9 p90 -74.77 -5.84 45.61 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 120.821 0.343 . . . . 1.7 111.385 -175.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 112' ' ' LEU . . . . . . . . . . . . . 90.9 mt -85.85 -8.11 58.29 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.814 0.34 . . . . 1.6 110.975 177.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 113' ' ' GLY . . . . . . . . . . . . . . . 93.77 67.73 1.06 Allowed Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.651 -0.785 . . . . 2.01 111.754 -178.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 114' ' ' ALA . . . . . . . . . . . . . . . -74.86 144.31 43.46 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.71 0.29 . . . . 1.7 110.837 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 115' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp -115.79 96.82 47.64 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 116.448 -0.342 . . . . 5.63 111.369 -179.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 116' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -83.49 -17.69 6.2 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 123.035 2.49 . . . . 3.16 111.0 171.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 117' ' ' ARG . . . . . . . . . . . . . 50.9 mtm180 -145.1 -156.03 0.66 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.449 -1.251 . . . . 5.14 108.269 177.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 118' ' ' THR . . . . . . . . . . . . . 9.0 m -79.75 -40.13 29.48 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.325 0.583 . . . . 6.65 110.052 174.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 119' ' ' ASN . . . . . . . . . . . . . 51.7 t30 -140.08 148.64 42.03 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.782 -0.645 . . . . 7.34 110.201 -179.033 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 120' ' ' VAL . . . . . . . . . . . . . 48.4 t -106.09 -28.64 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.291 -0.413 . . . . 9.17 110.466 -179.141 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 121' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 . . . . . 0 C--O 1.249 1.071 0 CA-C-N 115.571 -0.741 . . . . 11.88 110.584 -178.099 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' S' S ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.905 0 N-CA-C 111.901 -0.48 . . . . 11.27 111.901 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' S' S ' 26' ' ' ALA . . . . . . . . . . . . . . . -83.14 -7.69 59.6 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 111.977 0.362 . . . . 9.73 111.977 -175.414 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 27' ' ' MET . . . . . . . . . . . . . 52.3 ttm -143.6 -51.18 0.33 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.178 0.513 . . . . 10.2 110.605 177.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 28' ' ' GLY . . . . . . . . . . . . . . . -87.25 51.95 4.28 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.88 -0.676 . . . . 6.05 112.355 -177.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 29' ' ' SER . . . . . . . . . . . . . 45.6 p -88.85 -16.84 31.0 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.242 0.544 . . . . 4.57 110.38 177.124 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 30' ' ' ARG . . . . . . . . . . . . . 10.5 mmm180 -100.02 95.44 6.85 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.884 -0.598 . . . . 7.76 110.443 179.12 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 31' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -79.53 -2.46 42.36 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.792 0.806 . . . . 3.39 108.868 174.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -65.21 -12.04 47.08 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 114.479 -1.237 . . . . 1.79 111.755 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 33' ' ' MET . . . . . 0.585 ' HB3' ' HB3' ' S' ' 111' ' ' TYR . 46.7 mtm -62.49 -27.49 69.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 2.01 110.608 -179.69 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 34' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -100.99 4.49 42.49 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.942 -0.572 . . . . 1.16 111.756 -174.113 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 35' ' ' THR . . . . . 0.501 ' O ' ' HA ' ' S' ' 82' ' ' THR . 15.7 p -124.77 -9.01 7.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.082 0.467 . . . . 1.22 110.872 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 36' ' ' LYS . . . . . . . . . . . . . 74.3 tttt -98.66 113.87 26.11 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.69 -0.686 . . . . 2.47 109.917 179.189 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 37' ' ' ILE . . . . . 0.487 HD12 ' HA ' ' S' ' 89' ' ' ALA . 41.8 mt -108.0 143.09 19.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 115.804 -0.635 . . . . 1.18 111.296 -175.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 38' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -102.84 122.94 45.54 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.3 -0.629 . . . . 0.57 109.3 176.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 39' ' ' VAL . . . . . 0.619 HG11 HG23 ' S' ' 107' ' ' VAL . 38.6 t -120.74 103.79 14.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.533 -0.303 . . . . 1.01 110.496 -179.363 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 40' ' ' GLY . . . . . . . . . . . . . . . -108.02 151.98 16.97 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.399 -0.905 . . . . 0.27 112.067 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 41' ' ' GLY . . . . . . . . . . . . . . . 104.28 37.14 2.94 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.576 -0.821 . . . . 0.49 111.863 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 42' ' ' LEU . . . . . 0.499 HD12 HD11 ' S' ' 51' ' ' LEU . 88.0 mt -105.9 130.07 23.6 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-O 120.643 0.258 . . . . 1.11 111.052 -177.722 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 43' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -56.12 162.81 6.89 Favored 'Trans proline' 0 CA--C 1.532 0.417 0 C-N-CA 123.164 2.576 . . . . 0.62 112.58 175.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 44' ' ' TYR . . . . . 0.66 ' HA ' ' HB3' ' S' ' 75' ' ' SER . 29.0 m-85 -62.87 -30.92 71.88 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.752 -0.658 . . . . 2.81 112.056 -173.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 45' ' ' HIS . . . . . . . . . . . . . 3.7 p80 -94.17 12.11 27.75 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.194 0.521 . . . . 3.13 111.395 -176.265 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 46' ' ' THR . . . . . . . . . . . . . 87.0 m -85.47 109.88 18.78 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.15 -0.685 . . . . 1.14 109.15 175.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 47' ' ' SER . . . . . . . . . . . . . 13.9 m -102.18 -176.63 3.17 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.189 -0.46 . . . . 0.68 111.018 -173.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 48' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -54.12 -44.75 71.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.667 -0.697 . . . . 1.29 110.361 177.154 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 49' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -58.71 -40.35 83.46 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.619 -0.719 . . . . 3.0 111.522 179.242 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 50' ' ' THR . . . . . . . . . . . . . 3.0 m -66.61 -48.35 69.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.832 0.349 . . . . 1.15 110.568 -178.196 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 51' ' ' LEU . . . . . 0.499 HD11 HD12 ' S' ' 42' ' ' LEU . 32.6 tp -62.2 -47.57 83.87 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-O 121.217 0.532 . . . . 1.23 110.504 178.518 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 52' ' ' HIS . . . . . . . . . . . . . 16.9 t-80 -60.22 -51.33 70.03 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.652 -0.703 . . . . 0.73 111.506 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 53' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -55.21 -49.84 70.94 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.597 0.237 . . . . 2.24 111.605 -176.2 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 54' ' ' TYR . . . . . . . . . . . . . 92.2 t80 -63.88 -41.77 97.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.492 -0.322 . . . . 1.2 111.613 -176.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 55' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -85.36 -22.2 28.54 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 112.537 0.569 . . . . 0.68 112.537 -173.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 56' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -68.81 -17.67 64.05 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.199 0.523 . . . . 1.47 109.89 178.267 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 57' ' ' GLN . . . . . . . . . . . . . 35.6 tp60 -58.8 -33.63 70.58 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.724 -0.671 . . . . 3.67 110.355 172.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 58' ' ' PHE . . . . . 0.404 ' HB3' ' CB ' ' S' ' 91' ' ' ARG . 52.4 m-85 -85.62 -29.97 23.64 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.173 -0.467 . . . . 0.71 110.665 -177.438 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 59' ' ' GLY . . . . . . . . . . . . . . . 172.55 165.85 30.22 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.994 -0.622 . . . . 0.51 112.749 178.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 60' ' ' ASP . . . . . 0.652 ' HB3' ' HD3' ' S' ' 84' ' ' LYS . 26.1 t70 -56.95 139.71 51.04 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.21 0.528 . . . . 1.99 111.548 178.425 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 61' ' ' ILE . . . . . 0.705 HG22 ' HB3' ' S' ' 64' ' ' ALA . 57.8 mt -118.21 145.44 24.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.593 -0.731 . . . . 1.13 110.394 -176.298 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 62' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -92.84 -53.84 4.0 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.991 0.424 . . . . 1.91 110.393 177.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 63' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -136.4 118.34 15.26 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.997 -0.547 . . . . 1.81 110.021 179.185 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 64' ' ' ALA . . . . . 0.705 ' HB3' HG22 ' S' ' 61' ' ' ILE . . . -135.74 100.49 4.48 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 110.001 -0.37 . . . . 1.14 110.001 177.457 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 65' ' ' VAL . . . . . . . . . . . . . 30.8 m -133.02 138.96 50.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 121.003 0.43 . . . . 1.07 110.912 -178.004 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 66' ' ' VAL . . . . . . . . . . . . . 61.7 t -88.64 122.9 40.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 108.356 -0.979 . . . . 1.07 108.356 173.446 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 67' ' ' ILE . . . . . . . . . . . . . 47.3 mm -68.24 131.34 33.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 120.924 0.392 . . . . 1.19 110.575 -172.028 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 68' ' ' THR . . . . . . . . . . . . . 21.5 p -104.32 150.8 24.14 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.842 -0.617 . . . . 1.27 111.283 -176.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 69' ' ' ASP . . . . . 0.472 ' O ' ' HA ' ' S' ' 73' ' ' GLN . 24.1 t70 -73.62 140.11 45.95 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.535 -0.757 . . . . 1.75 109.714 175.792 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 70' ' ' ARG . . . . . . . . . . . . . 28.3 mmm180 -76.59 -21.71 55.21 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 112.183 0.438 . . . . 4.77 112.183 -174.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 71' ' ' ASN . . . . . . . . . . . . . 22.7 m120 -94.81 -50.72 5.01 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 111.877 0.325 . . . . 2.82 111.877 -175.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 72' ' ' THR . . . . . . . . . . . . . 50.1 p -92.36 -22.68 19.55 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.455 -0.338 . . . . 2.27 111.331 -178.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 73' ' ' GLN . . . . . 0.472 ' HA ' ' O ' ' S' ' 69' ' ' ASP . 13.7 mm-40 65.42 31.04 10.61 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.039 -0.528 . . . . 2.59 111.933 -178.339 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 74' ' ' LYS . . . . . . . . . . . . . 34.2 mttp -103.12 173.73 6.17 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.009 -0.541 . . . . 3.24 109.79 170.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 75' ' ' SER . . . . . 0.66 ' HB3' ' HA ' ' S' ' 44' ' ' TYR . 41.4 t -65.84 140.82 58.41 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.043 0.449 . . . . 1.54 111.256 -178.633 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 76' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -70.95 -20.95 62.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.611 -0.722 . . . . 2.96 109.959 172.547 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 77' ' ' GLY . . . . . 0.455 ' HA2' ' O ' ' S' ' 42' ' ' LEU . . . 104.38 11.82 30.43 Favored Glycine 0 N--CA 1.444 -0.828 0 C-N-CA 120.699 -0.763 . . . . 0.63 111.898 -177.647 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 78' ' ' TYR . . . . . . . . . . . . . 29.7 p90 -157.92 158.11 34.38 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 120.741 0.305 . . . . 1.05 110.714 178.184 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 79' ' ' GLY . . . . . . . . . . . . . . . -139.0 165.78 25.57 Favored Glycine 0 N--CA 1.45 -0.369 0 CA-C-N 116.144 -0.48 . . . . 0.19 111.978 178.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 80' ' ' PHE . . . . . 0.548 ' HZ ' ' HB3' ' S' ' 116' ' ' PRO . 63.9 m-85 -114.43 136.07 53.41 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.666 0.269 . . . . 0.47 110.625 177.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 81' ' ' VAL . . . . . . . . . . . . . 25.9 t -124.81 113.73 37.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.292 -0.413 . . . . 1.11 110.541 177.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 82' ' ' THR . . . . . 0.501 ' HA ' ' O ' ' S' ' 35' ' ' THR . 11.2 m -109.5 109.27 20.03 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.844 -0.799 . . . . 1.09 108.844 176.081 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 83' ' ' MET . . . . . 0.528 ' HA ' ' HA ' ' S' ' 61' ' ' ILE . 5.1 mtp -94.62 172.29 8.27 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.354 -0.384 . . . . 1.13 110.605 -170.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 84' ' ' LYS . . . . . 0.652 ' HD3' ' HB3' ' S' ' 60' ' ' ASP . 22.2 pttm -66.0 -36.94 84.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.261 -0.427 . . . . 2.79 111.701 -177.478 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 85' ' ' ASP . . . . . 0.448 ' HB3' ' HG3' ' S' ' 84' ' ' LYS . 0.0 OUTLIER -144.25 164.04 31.9 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.019 0.438 . . . . 1.85 111.208 -172.631 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' S' S ' 86' ' ' ARG . . . . . 0.433 ' O ' ' HG3' ' S' ' 90' ' ' GLU . 67.5 mtm180 -72.31 -30.31 64.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.866 -0.606 . . . . 4.59 112.231 -175.469 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.85 -39.9 83.75 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.047 0.451 . . . . 1.26 110.005 -179.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 88' ' ' SER . . . . . . . . . . . . . 15.3 m -61.85 -38.24 87.49 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.75 -0.659 . . . . 1.26 109.69 174.181 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 89' ' ' ALA . . . . . 0.487 ' HA ' HD12 ' S' ' 37' ' ' ILE . . . -65.99 -38.91 89.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.621 -0.718 . . . . 1.17 111.384 -179.039 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 90' ' ' GLU . . . . . 0.575 ' HA ' ' SG ' ' S' ' 93' ' ' CYS . 44.0 mt-10 -70.01 -31.54 69.26 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.431 -0.35 . . . . 1.85 110.761 178.086 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 91' ' ' ARG . . . . . 0.404 ' CB ' ' HB3' ' S' ' 58' ' ' PHE . 86.3 mtt180 -62.2 -33.73 75.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.936 0.398 . . . . 3.45 110.26 172.466 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 92' ' ' ALA . . . . . . . . . . . . . . . -76.0 -39.77 55.09 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.811 -0.632 . . . . 1.15 111.409 -177.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 93' ' ' CYS . . . . . 0.575 ' SG ' ' HA ' ' S' ' 90' ' ' GLU . 12.3 p -94.69 8.85 41.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.983 0.42 . . . . 2.24 110.9 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 94' ' ' LYS . . . . . . . . . . . . . 4.4 tptm -58.03 -36.86 73.33 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.862 -0.608 . . . . 3.42 110.487 175.355 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 95' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -109.53 105.25 56.96 Favored Pre-proline 0 C--N 1.324 -0.529 0 N-CA-C 108.497 -0.927 . . . . 2.13 108.497 173.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 96' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -66.37 -18.01 54.6 Favored 'Trans proline' 0 N--CA 1.463 -0.286 0 C-N-CA 122.575 2.184 . . . . 1.08 112.342 -177.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 97' ' ' ASN . . . . . 0.522 ' HA ' ' O ' ' S' ' 105' ' ' ALA . 0.8 OUTLIER -133.34 70.76 77.03 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.241 -0.436 . . . . 1.08 110.607 -178.367 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' S' S ' 98' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -78.43 154.26 27.77 Favored 'Trans proline' 0 N--CA 1.461 -0.422 0 C-N-CA 122.992 2.462 . . . . 0.76 112.329 -178.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 99' ' ' ILE . . . . . . . . . . . . . 34.5 mm -95.71 95.9 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.008 -0.542 . . . . 1.19 110.139 178.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 100' ' ' ILE . . . . . . . . . . . . . 57.6 mt -106.54 114.71 46.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 116.063 -0.517 . . . . 1.18 110.382 -177.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 101' ' ' ASP . . . . . . . . . . . . . 32.6 t70 65.92 15.79 10.2 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 121.864 0.84 . . . . 1.4 110.605 177.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 102' ' ' GLY . . . . . . . . . . . . . . . 94.93 4.6 61.5 Favored Glycine 0 N--CA 1.447 -0.578 0 CA-C-N 115.653 -0.703 . . . . 0.93 112.231 -178.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 103' ' ' ARG . . . . . 0.433 ' HD2' ' HA ' ' S' ' 103' ' ' ARG . 18.1 tpt180 -113.78 136.09 53.23 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 110.117 -0.327 . . . . 3.59 110.117 178.316 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 104' ' ' LYS . . . . . 0.498 ' HD3' ' OD1' ' S' ' 97' ' ' ASN . 39.4 ttmt -75.0 121.93 22.74 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.645 -0.502 . . . . 2.58 109.645 175.295 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 105' ' ' ALA . . . . . 0.522 ' O ' ' HA ' ' S' ' 97' ' ' ASN . . . -109.16 165.13 11.84 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.103 -0.499 . . . . 1.06 111.195 -178.396 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 106' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -116.54 110.15 18.19 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.803 -0.635 . . . . 2.54 109.421 175.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 107' ' ' VAL . . . . . 0.619 HG23 HG11 ' S' ' 39' ' ' VAL . 61.9 t -107.08 127.4 62.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.071 -0.513 . . . . 1.22 110.308 -178.241 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 108' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -150.8 148.88 29.04 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.138 -0.483 . . . . 1.76 109.868 -178.402 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 109' ' ' LEU . . . . . 0.404 HD21 HG12 ' S' ' 37' ' ' ILE . 95.6 mt -66.95 137.79 56.79 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 110.214 -0.291 . . . . 1.22 110.214 178.508 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 110' ' ' ALA . . . . . . . . . . . . . . . -58.68 -37.11 75.34 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.755 0.65 . . . . 1.25 112.755 -172.007 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 111' ' ' TYR . . . . . 0.585 ' HB3' ' HB3' ' S' ' 33' ' ' MET . 8.4 p90 -74.03 -5.86 44.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.675 0.274 . . . . 1.7 111.55 -173.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 112' ' ' LEU . . . . . . . . . . . . . 86.4 mt -91.88 -12.83 32.48 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 121.205 -0.198 . . . . 1.6 111.507 -178.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 113' ' ' GLY . . . . . . . . . . . . . . . 144.14 58.3 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.094 -1.05 . . . . 2.01 113.122 177.17 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 114' ' ' ALA . . . . . . . . . . . . . . . -111.98 119.7 39.38 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 122.609 -0.348 . . . . 1.7 110.535 177.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 115' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -109.92 103.81 54.19 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 116.424 -0.353 . . . . 5.63 110.163 177.546 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 116' ' ' PRO . . . . . 0.548 ' HB3' ' HZ ' ' S' ' 80' ' ' PHE . 65.2 Cg_endo -76.13 139.47 21.5 Favored 'Trans proline' 0 N--CA 1.459 -0.539 0 C-N-CA 122.153 1.902 . . . . 3.16 111.662 176.104 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 117' ' ' ARG . . . . . . . . . . . . . 85.5 mtt180 -88.14 36.52 0.78 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.39 0.614 . . . . 5.14 110.927 -179.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 118' ' ' THR . . . . . . . . . . . . . 30.1 p -83.16 128.52 34.56 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.631 -0.713 . . . . 6.65 109.599 176.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 119' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -111.43 141.59 44.79 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.7 0.286 . . . . 7.34 111.605 -173.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 120' ' ' VAL . . . . . 0.457 ' O ' ' HB2' ' S' ' 121' ' ' GLN . 8.8 t 66.61 39.66 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 CA-C-N 115.269 -0.878 . . . . 9.17 112.051 173.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 121' ' ' GLN . . . . . 0.457 ' HB2' ' O ' ' S' ' 120' ' ' VAL . 1.7 tp60 . . . . . 0 C--O 1.251 1.152 0 CA-C-O 118.945 -0.55 . . . . 11.88 110.008 171.006 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 63.2 mtm . . . . . 0 C--O 1.231 0.089 0 CA-C-O 121.051 0.453 . . . . 1.3899999999999999 111.119 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' S' S ' 34' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -104.91 4.67 32.18 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.27 -0.423 . . . . 0.96999999999999997 110.835 -178.283 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 35' ' ' THR . . . . . 0.441 ' O ' ' HA ' ' S' ' 82' ' ' THR . 43.5 p -124.06 -6.18 7.83 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.925 0.393 . . . . 0.55000000000000004 110.693 -179.5 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 36' ' ' LYS . . . . . . . . . . . . . 45.9 tptt -88.98 97.23 11.08 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 115.767 -0.651 . . . . 1.95 110.233 -176.434 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 37' ' ' ILE . . . . . 0.406 HD11 ' HA ' ' S' ' 89' ' ' ALA . 64.8 mt -85.71 127.25 40.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 116.114 -0.493 . . . . 0.40999999999999998 111.004 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 38' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -96.81 117.82 31.9 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.714 -0.676 . . . . 0.45000000000000001 109.548 175.478 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 39' ' ' VAL . . . . . . . . . . . . . 21.5 t -112.88 101.39 12.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.32 -0.4 . . . . 0.20000000000000001 110.197 179.255 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 40' ' ' GLY . . . . . . . . . . . . . . . -101.68 152.56 18.72 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.886 -0.673 . . . . 0.27000000000000002 112.317 -179.183 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 41' ' ' GLY . . . . . . . . . . . . . . . 95.06 33.45 6.59 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.812 -0.709 . . . . 0.48999999999999999 111.931 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 42' ' ' LEU . . . . . 0.437 ' O ' ' HA2' ' S' ' 77' ' ' GLY . 68.8 mt -100.13 132.9 21.99 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-O 120.752 0.31 . . . . 0.59999999999999998 110.88 -178.072 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 43' ' ' PRO . . . . . 0.441 ' HG2' ' OD2' ' S' ' 101' ' ' ASP . 31.4 Cg_exo -61.4 165.06 13.78 Favored 'Trans proline' 0 CA--C 1.532 0.381 0 C-N-CA 122.951 2.434 . . . . 0.55000000000000004 112.472 176.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 44' ' ' TYR . . . . . 0.676 ' HA ' ' HB2' ' S' ' 75' ' ' SER . 8.7 m-85 -78.27 -0.5 28.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.861 -0.609 . . . . 2.4100000000000001 111.878 -170.823 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 45' ' ' HIS . . . . . . . . . . . . . 7.3 p80 -114.78 0.65 13.89 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.946 0.403 . . . . 2.3100000000000001 110.707 -179.276 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 46' ' ' THR . . . . . 0.441 ' OG1' ' HD2' ' S' ' 43' ' ' PRO . 55.2 m -77.54 118.1 19.63 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 109.361 -0.607 . . . . 0.53000000000000003 109.361 178.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 47' ' ' SER . . . . . 0.54 ' HB2' ' HG2' ' S' ' 49' ' ' LYS . 5.6 m -97.49 174.57 6.6 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.084 0.469 . . . . 0.68000000000000005 111.281 -174.227 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 48' ' ' ASP . . . . . 0.487 ' HB2' ' O ' ' S' ' 64' ' ' ALA . 17.9 p-10 -58.57 -42.71 88.62 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.172 -0.922 . . . . 1.29 109.943 175.609 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 49' ' ' LYS . . . . . 0.54 ' HG2' ' HB2' ' S' ' 47' ' ' SER . 23.5 pttm -62.86 -34.4 77.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.644 -0.707 . . . . 2.5 111.337 178.628 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 50' ' ' THR . . . . . . . . . . . . . 4.7 m -67.37 -47.11 71.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.178 0.513 . . . . 0.42999999999999999 109.794 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 51' ' ' LEU . . . . . . . . . . . . . 15.8 tp -66.19 -40.04 90.13 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.421 -0.809 . . . . 0.46000000000000002 110.219 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 52' ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -61.32 -51.14 70.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.571 -0.74 . . . . 0.55000000000000004 110.815 178.333 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 53' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -50.32 -42.7 53.11 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.656 -0.702 . . . . 2.2400000000000002 111.451 179.419 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 54' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -74.05 -42.31 60.44 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.122 0.416 . . . . 0.55000000000000004 112.122 -176.22 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 55' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -85.67 -20.89 28.73 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 113.636 0.976 . . . . 0.5 113.636 -170.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 56' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -64.89 -15.97 62.66 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 120.619 -0.432 . . . . 1.47 110.913 -179.232 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 57' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -59.87 -25.38 65.01 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 115.857 -0.611 . . . . 2.98 110.865 174.156 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 58' ' ' PHE . . . . . 0.403 ' O ' ' HD3' ' S' ' 91' ' ' ARG . 82.6 m-85 -96.85 -15.37 21.28 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.037 0.384 . . . . 0.65000000000000002 112.037 -173.742 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 59' ' ' GLY . . . . . . . . . . . . . . . 155.09 -173.24 33.39 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.305 -0.95 . . . . 0.44 113.057 178.442 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 60' ' ' ASP . . . . . 0.702 ' HB2' ' HG2' ' S' ' 84' ' ' LYS . 2.0 m-20 -65.78 128.84 37.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.801 0.334 . . . . 1.99 110.442 -179.058 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 61' ' ' ILE . . . . . 0.584 HG21 ' HB2' ' S' ' 64' ' ' ALA . 58.3 mt -102.17 121.93 53.8 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 CA-C-N 116.036 -0.529 . . . . 0.42999999999999999 110.35 177.251 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 62' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -73.01 -52.87 12.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.553 0.692 . . . . 1.9099999999999999 109.574 176.015 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.81 137.88 33.64 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.873 -1.058 . . . . 1.8100000000000001 109.75 -176.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 64' ' ' ALA . . . . . 0.584 ' HB2' HG21 ' S' ' 61' ' ' ILE . . . -146.31 103.98 3.75 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 110.031 -0.359 . . . . 0.38 110.031 177.244 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 65' ' ' VAL . . . . . . . . . . . . . 33.3 m -137.64 137.91 44.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.233 0.54 . . . . 0.35999999999999999 111.277 -179.495 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 66' ' ' VAL . . . . . 0.426 ' HA ' ' HA2' ' S' ' 79' ' ' GLY . 73.5 t -93.63 118.12 38.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 107.974 -1.121 . . . . 0.29999999999999999 107.974 169.013 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 67' ' ' ILE . . . . . . . . . . . . . 49.4 mm -68.54 119.22 13.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.085 0.469 . . . . 0.46999999999999997 110.902 -171.468 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 68' ' ' THR . . . . . . . . . . . . . 68.8 p -99.26 147.91 24.68 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.508 -0.769 . . . . 0.78000000000000003 110.78 -178.323 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 69' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -65.66 126.0 27.03 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.419 -0.956 . . . . 1.75 108.419 171.435 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 70' ' ' ARG . . . . . . . . . . . . . 16.7 mmm180 -75.02 -10.43 59.47 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 113.327 0.862 . . . . 4.0199999999999996 113.327 -171.785 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 71' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -95.1 -49.3 5.58 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.566 -0.454 . . . . 2.6400000000000001 110.582 177.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 72' ' ' THR . . . . . . . . . . . . . 32.2 p -97.52 -15.99 20.3 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 112.16 0.429 . . . . 1.8400000000000001 112.16 -174.436 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 73' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 62.19 36.92 14.66 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.039 -0.528 . . . . 2.3500000000000001 112.416 179.588 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 74' ' ' LYS . . . . . . . . . . . . . 22.5 pttm -108.0 146.64 32.21 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.348 -0.612 . . . . 2.77 109.348 172.486 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 75' ' ' SER . . . . . 0.676 ' HB2' ' HA ' ' S' ' 44' ' ' TYR . 16.5 m -60.77 136.62 58.13 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 123.079 0.237 . . . . 1.51 110.366 177.67 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 76' ' ' ARG . . . . . . . . . . . . . 58.1 mtp180 -82.96 6.0 20.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.818 0.342 . . . . 2.54 111.08 -177.448 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 77' ' ' GLY . . . . . 0.437 ' HA2' ' O ' ' S' ' 42' ' ' LEU . . . 99.76 12.45 40.6 Favored Glycine 0 C--N 1.331 0.251 0 C-N-CA 121.028 -0.606 . . . . 0.53000000000000003 113.582 173.777 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 78' ' ' TYR . . . . . . . . . . . . . 41.9 p90 -157.85 158.55 35.35 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.929 0.364 . . . . 0.59999999999999998 110.934 -179.062 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 79' ' ' GLY . . . . . 0.426 ' HA2' ' HA ' ' S' ' 66' ' ' VAL . . . -139.42 162.4 26.12 Favored Glycine 0 N--CA 1.445 -0.71 0 N-CA-C 111.172 -0.771 . . . . 0.17000000000000001 111.172 175.787 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 80' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -120.85 136.69 54.86 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.887 0.344 . . . . 0.39000000000000001 110.97 -179.301 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 81' ' ' VAL . . . . . . . . . . . . . 46.9 t -124.51 115.86 45.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.911 -0.586 . . . . 0.23999999999999999 110.359 177.145 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 82' ' ' THR . . . . . 0.441 ' HA ' ' O ' ' S' ' 35' ' ' THR . 28.1 m -96.65 108.72 21.39 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 109.773 -0.454 . . . . 0.29999999999999999 109.773 176.23 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 83' ' ' MET . . . . . 0.623 ' HG3' ' HA ' ' S' ' 89' ' ' ALA . 91.6 mmm -80.79 161.58 24.43 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.353 -0.385 . . . . 0.71999999999999997 110.379 -179.785 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 84' ' ' LYS . . . . . 0.702 ' HG2' ' HB2' ' S' ' 60' ' ' ASP . 0.0 OUTLIER -68.71 -21.37 64.41 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.828 0.307 . . . . 2.21 111.828 -178.366 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' S' S ' 85' ' ' ASP . . . . . 0.462 ' CB ' ' HD2' ' S' ' 84' ' ' LYS . 23.4 t70 -156.5 162.06 39.98 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.411 -0.359 . . . . 1.8500000000000001 110.41 -178.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 86' ' ' ARG . . . . . 0.615 ' H ' ' CD ' ' S' ' 86' ' ' ARG . 0.0 OUTLIER -67.68 -29.52 68.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.015 -0.539 . . . . 3.96 111.671 -178.65 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' S' S ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.75 -38.66 87.06 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.251 0.548 . . . . 0.62 110.27 178.162 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 88' ' ' SER . . . . . . . . . . . . . 4.3 m -69.58 -40.33 76.78 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.677 -0.692 . . . . 0.88 110.311 175.655 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 89' ' ' ALA . . . . . 0.623 ' HA ' ' HG3' ' S' ' 83' ' ' MET . . . -60.31 -48.58 81.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.747 -0.66 . . . . 0.34999999999999998 111.334 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 90' ' ' GLU . . . . . 0.571 ' O ' ' HG2' ' S' ' 94' ' ' LYS . 4.1 pt-20 -72.18 -21.73 61.39 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.628 -0.429 . . . . 1.8500000000000001 111.028 -179.264 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 91' ' ' ARG . . . . . 0.403 ' HD3' ' O ' ' S' ' 58' ' ' PHE . 76.4 ttt180 -63.8 -37.88 89.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.102 0.477 . . . . 2.9199999999999999 109.788 174.759 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 92' ' ' ALA . . . . . . . . . . . . . . . -77.2 -27.11 53.41 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.831 -0.622 . . . . 0.46999999999999997 110.186 176.129 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 93' ' ' CYS . . . . . . . . . . . . . 17.8 t -83.78 -2.82 57.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.754 -0.657 . . . . 1.3500000000000001 110.629 -179.113 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 94' ' ' LYS . . . . . 0.571 ' HG2' ' O ' ' S' ' 90' ' ' GLU . 37.7 mmtm -60.94 -31.1 70.66 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.204 -0.453 . . . . 2.9500000000000002 110.809 175.442 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 95' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -115.46 95.02 41.85 Favored Pre-proline 0 C--N 1.329 -0.32 0 N-CA-C 109.33 -0.619 . . . . 2.1299999999999999 109.33 175.314 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 96' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -65.27 -32.64 50.93 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.851 2.368 . . . . 0.76000000000000001 113.45 -171.48 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 97' ' ' ASN . . . . . 0.426 ' HA ' ' O ' ' S' ' 105' ' ' ALA . 10.4 m120 -126.82 83.91 64.36 Favored Pre-proline 0 C--N 1.321 -0.635 0 CA-C-O 120.804 0.335 . . . . 1.0800000000000001 111.276 -177.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 98' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -88.65 157.87 6.33 Favored 'Trans proline' 0 N--CA 1.452 -0.953 0 C-N-CA 122.656 2.237 . . . . 0.53000000000000003 111.896 176.448 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 99' ' ' ILE . . . . . . . . . . . . . 49.8 mm -95.95 100.71 11.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-O 121.145 0.498 . . . . 0.51000000000000001 110.18 179.038 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 100' ' ' ILE . . . . . . . . . . . . . 54.9 mt -108.76 119.74 58.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.677 -0.692 . . . . 0.56999999999999995 109.813 -179.457 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 101' ' ' ASP . . . . . 0.441 ' OD2' ' HG2' ' S' ' 43' ' ' PRO . 39.1 t70 67.17 16.03 10.15 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 121.998 0.904 . . . . 1.3999999999999999 110.23 177.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 102' ' ' GLY . . . . . . . . . . . . . . . 89.08 6.15 72.12 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.734 -0.746 . . . . 0.81999999999999995 111.672 -177.37 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 103' ' ' ARG . . . . . . . . . . . . . 6.5 tpp180 -107.02 136.17 47.34 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.68 -0.489 . . . . 3.1099999999999999 109.68 -179.612 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 104' ' ' LYS . . . . . . . . . . . . . 58.1 tttm -76.41 97.69 4.35 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.295 -0.632 . . . . 1.98 109.295 177.265 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 105' ' ' ALA . . . . . 0.426 ' O ' ' HA ' ' S' ' 97' ' ' ASN . . . -87.43 164.08 16.39 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.095 -0.502 . . . . 0.33000000000000002 111.363 -173.759 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 106' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -121.07 110.64 16.48 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.952 -0.567 . . . . 1.99 109.754 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 107' ' ' VAL . . . . . . . . . . . . . 76.7 t -107.48 125.68 63.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.209 -0.45 . . . . 0.33000000000000002 110.417 -178.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 108' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -169.52 148.12 3.7 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.179 -0.464 . . . . 1.76 109.978 -178.739 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 109' ' ' LEU . . . . . . . . . . . . . 95.4 mt -62.9 132.98 53.92 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.844 0.354 . . . . 0.56999999999999995 110.955 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.59 -29.75 68.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.077 -0.51 . . . . 0.66000000000000003 111.965 -176.294 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 111' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.444 0 CA-C-N 116.605 -0.27 . . . . 1.25 110.821 -178.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 15.4 tpt . . . . . 0 N--CA 1.455 -0.217 0 CA-C-O 120.743 0.306 . . . . 1.3899999999999999 111.223 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' S' S ' 34' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -109.04 16.76 22.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.956 0.408 . . . . 0.96999999999999997 110.868 -177.598 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 35' ' ' THR . . . . . 0.516 ' O ' ' HA ' ' S' ' 82' ' ' THR . 14.8 p -117.28 -3.95 11.42 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.14 -0.482 . . . . 0.55000000000000004 110.72 -177.008 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 36' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -94.92 104.18 16.06 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.73 -0.668 . . . . 1.95 110.917 -174.446 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 37' ' ' ILE . . . . . 0.478 ' CG2' HG13 ' S' ' 107' ' ' VAL . 70.9 mt -93.42 136.82 24.11 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 115.232 -0.895 . . . . 0.40999999999999998 110.885 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 38' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -101.12 122.86 44.35 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.047 -0.524 . . . . 0.45000000000000001 109.601 175.162 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 39' ' ' VAL . . . . . 0.461 HG21 HD11 ' S' ' 51' ' ' LEU . 22.0 t -119.21 105.93 18.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 110.115 -0.328 . . . . 0.20000000000000001 110.115 178.21 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 40' ' ' GLY . . . . . . . . . . . . . . . -104.57 152.88 17.52 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.607 -0.806 . . . . 0.27000000000000002 112.592 -178.793 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 41' ' ' GLY . . . . . . . . . . . . . . . 99.6 33.12 5.45 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.949 -0.643 . . . . 0.48999999999999999 112.338 178.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 42' ' ' LEU . . . . . 0.597 ' O ' ' HA2' ' S' ' 77' ' ' GLY . 83.0 mt -103.66 133.79 20.09 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-O 120.995 0.426 . . . . 0.59999999999999998 111.561 -176.16 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 43' ' ' PRO . . . . . 0.694 ' HG3' ' HG3' ' S' ' 103' ' ' ARG . 22.7 Cg_exo -65.12 173.81 5.62 Favored 'Trans proline' 0 CA--C 1.532 0.388 0 C-N-CA 123.022 2.481 . . . . 0.55000000000000004 112.671 176.647 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 44' ' ' TYR . . . . . 0.446 ' HA ' ' HB2' ' S' ' 75' ' ' SER . 7.1 m-85 -78.6 -8.51 58.69 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.129 -0.487 . . . . 2.4100000000000001 111.756 -172.539 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 45' ' ' HIS . . . . . . . . . . . . . 27.0 p80 -101.73 -4.97 25.54 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.898 -0.321 . . . . 2.3100000000000001 110.717 -178.39 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 46' ' ' THR . . . . . 0.501 ' OG1' ' HD2' ' S' ' 43' ' ' PRO . 89.0 m -73.07 113.17 9.81 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-O 121.064 0.459 . . . . 0.53000000000000003 109.865 179.516 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 47' ' ' SER . . . . . . . . . . . . . 14.0 m -104.43 -175.52 2.82 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.518 -0.764 . . . . 0.68000000000000005 110.806 -174.505 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 48' ' ' ASP . . . . . . . . . . . . . 17.7 p-10 -63.66 -38.41 91.01 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.674 -0.694 . . . . 1.29 110.627 -179.039 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 49' ' ' LYS . . . . . 0.41 ' HG3' ' N ' ' S' ' 50' ' ' THR . 11.1 ptmt -64.33 -34.32 77.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 2.5 111.335 177.532 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 50' ' ' THR . . . . . 0.41 ' N ' ' HG3' ' S' ' 49' ' ' LYS . 1.0 OUTLIER -68.13 -54.32 18.86 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.016 0.436 . . . . 0.42999999999999999 110.55 -175.923 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' S' S ' 51' ' ' LEU . . . . . 0.461 HD11 HG21 ' S' ' 39' ' ' VAL . 16.8 tp -59.98 -40.0 87.64 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.728 -0.669 . . . . 0.46000000000000002 110.457 177.47 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 52' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -60.0 -52.76 64.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.6 -0.727 . . . . 0.55000000000000004 111.058 179.245 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 53' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -57.03 -44.15 82.59 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.123 -0.49 . . . . 2.2400000000000002 111.986 -175.323 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 54' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -68.51 -37.77 80.34 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.879 -0.329 . . . . 0.55000000000000004 111.32 -176.302 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 55' ' ' PHE . . . . . 0.437 ' HA ' ' HD2' ' S' ' 58' ' ' PHE . 24.1 m-85 -83.62 -19.56 35.24 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.047 0.388 . . . . 0.5 112.047 -177.729 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 56' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -56.68 -24.32 48.11 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.228 0.537 . . . . 1.47 110.794 178.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 57' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -63.61 -24.72 67.91 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.599 0.714 . . . . 2.98 111.171 178.59 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 58' ' ' PHE . . . . . 0.461 ' O ' ' HD3' ' S' ' 91' ' ' ARG . 29.7 m-85 -105.31 0.6 27.21 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 115.02 -0.991 . . . . 0.65000000000000002 111.679 -171.674 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 59' ' ' GLY . . . . . . . . . . . . . . . 140.83 -178.17 20.3 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.129 -1.034 . . . . 0.44 113.167 174.679 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 60' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -70.77 146.47 49.76 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 122.777 0.431 . . . . 1.99 110.908 179.083 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 61' ' ' ILE . . . . . 0.475 ' HA ' ' HA ' ' S' ' 83' ' ' MET . 74.4 mt -122.24 134.88 64.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.146 -0.479 . . . . 0.42999999999999999 111.18 -175.582 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 62' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -78.07 -57.11 3.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.098 0.475 . . . . 1.9099999999999999 110.564 176.781 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 63' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -152.57 116.66 4.89 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.955 -0.566 . . . . 1.8100000000000001 110.331 -174.648 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 64' ' ' ALA . . . . . . . . . . . . . . . -124.65 104.05 8.47 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.445 -0.343 . . . . 0.38 110.426 178.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 65' ' ' VAL . . . . . . . . . . . . . 34.9 m -125.24 136.11 61.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.243 0.544 . . . . 0.35999999999999999 111.283 -178.389 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 66' ' ' VAL . . . . . . . . . . . . . 59.7 t -89.58 118.57 35.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 N-CA-C 108.467 -0.938 . . . . 0.29999999999999999 108.467 172.497 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 67' ' ' ILE . . . . . . . . . . . . . 49.2 mm -68.59 122.89 20.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.15 0.5 . . . . 0.46999999999999997 110.974 -172.459 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 68' ' ' THR . . . . . . . . . . . . . 14.8 p -106.13 157.27 17.68 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.628 -0.715 . . . . 0.78000000000000003 111.048 -178.596 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 69' ' ' ASP . . . . . 0.401 ' O ' ' HA ' ' S' ' 73' ' ' GLN . 23.7 t70 -79.71 148.61 31.48 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.827 -0.624 . . . . 1.75 109.353 175.514 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 70' ' ' ARG . . . . . . . . . . . . . 49.2 mtp180 -76.69 -33.46 58.24 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 120.776 -0.37 . . . . 4.0199999999999996 111.47 -175.243 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 71' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -79.14 -48.92 13.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.255 0.55 . . . . 2.6400000000000001 110.545 -175.745 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 72' ' ' THR . . . . . . . . . . . . . 34.6 p -91.56 -25.99 18.96 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.786 -0.643 . . . . 1.8400000000000001 112.114 -175.452 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 73' ' ' GLN . . . . . 0.401 ' HA ' ' O ' ' S' ' 69' ' ' ASP . 14.4 mm-40 64.3 21.18 12.44 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 116.051 -0.522 . . . . 2.3500000000000001 111.289 -176.705 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 74' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -101.67 153.92 19.34 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.036 -0.529 . . . . 2.77 110.031 174.513 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 75' ' ' SER . . . . . 0.446 ' HB2' ' HA ' ' S' ' 44' ' ' TYR . 10.5 m -59.19 137.48 57.95 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.028 -0.533 . . . . 1.51 110.886 -179.708 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 76' ' ' ARG . . . . . . . . . . . . . 63.6 mtp180 -81.21 7.45 11.24 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.382 -0.372 . . . . 2.54 111.0 -179.028 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 77' ' ' GLY . . . . . 0.597 ' HA2' ' O ' ' S' ' 42' ' ' LEU . . . 99.36 16.49 29.5 Favored Glycine 0 N--CA 1.451 -0.358 0 CA-C-N 115.995 -0.548 . . . . 0.53000000000000003 113.352 174.815 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 78' ' ' TYR . . . . . . . . . . . . . 40.6 p90 -164.34 162.18 22.16 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.686 0.279 . . . . 0.59999999999999998 110.7 -179.473 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 79' ' ' GLY . . . . . . . . . . . . . . . -143.61 164.78 27.33 Favored Glycine 0 N--CA 1.445 -0.706 0 N-CA-C 111.064 -0.814 . . . . 0.17000000000000001 111.064 176.717 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 80' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -119.91 135.82 54.75 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.836 0.35 . . . . 0.39000000000000001 110.994 -179.678 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 81' ' ' VAL . . . . . 0.458 ' HB ' ' HB ' ' S' ' 37' ' ' ILE . 19.1 t -118.2 111.58 34.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.047 -0.524 . . . . 0.23999999999999999 110.459 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 82' ' ' THR . . . . . 0.516 ' HA ' ' O ' ' S' ' 35' ' ' THR . 31.1 m -97.65 103.37 15.3 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 108.36 -0.978 . . . . 0.29999999999999999 108.36 172.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 83' ' ' MET . . . . . 0.566 ' SD ' ' HA ' ' S' ' 89' ' ' ALA . 57.1 mtp -86.78 168.57 13.37 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 120.925 -0.31 . . . . 0.71999999999999997 110.572 -175.74 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.8 -53.04 57.93 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 123.857 0.723 . . . . 2.21 111.993 -178.052 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 85' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -136.3 161.89 34.52 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.27 -0.423 . . . . 1.8500000000000001 110.064 -177.027 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 86' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -60.97 -32.95 72.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.455 -0.339 . . . . 3.96 110.822 178.173 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.25 -40.49 96.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.925 0.393 . . . . 0.62 110.289 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 88' ' ' SER . . . . . . . . . . . . . 2.3 m -64.95 -50.19 67.38 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.38 -0.6 . . . . 0.88 109.38 175.321 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 89' ' ' ALA . . . . . 0.566 ' HA ' ' SD ' ' S' ' 83' ' ' MET . . . -51.74 -50.28 60.91 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 114.993 -1.003 . . . . 0.34999999999999998 112.342 177.674 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 90' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -69.01 -29.85 68.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.957 0.408 . . . . 1.8500000000000001 110.955 -178.595 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 91' ' ' ARG . . . . . 0.461 ' HD3' ' O ' ' S' ' 58' ' ' PHE . 63.2 ttt180 -61.45 -26.83 68.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.97 -0.559 . . . . 2.9199999999999999 109.791 174.405 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 92' ' ' ALA . . . . . . . . . . . . . . . -86.41 -32.32 20.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.865 -0.607 . . . . 0.46999999999999997 110.497 174.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 93' ' ' CYS . . . . . . . . . . . . . 47.0 t -74.15 -4.68 37.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.697 -0.683 . . . . 1.3500000000000001 111.57 -178.039 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 94' ' ' LYS . . . . . . . . . . . . . 27.5 mmtp -56.77 -40.95 76.77 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.59 -0.277 . . . . 2.9500000000000002 111.085 174.137 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 95' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -103.73 100.58 20.2 Favored Pre-proline 0 C--N 1.328 -0.348 0 N-CA-C 109.899 -0.408 . . . . 2.1299999999999999 109.899 176.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 96' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -68.99 -27.74 29.8 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.92 2.413 . . . . 0.76000000000000001 113.129 -175.722 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 97' ' ' ASN . . . . . . . . . . . . . 21.6 m120 -129.17 92.32 39.52 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-O 120.98 0.419 . . . . 1.0800000000000001 111.35 179.017 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 98' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -84.72 149.75 11.24 Favored 'Trans proline' 0 N--CA 1.452 -0.932 0 C-N-CA 123.101 2.534 . . . . 0.53000000000000003 112.058 175.425 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 99' ' ' ILE . . . . . . . . . . . . . 49.5 mm -95.61 91.78 3.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 121.184 0.516 . . . . 0.51000000000000001 109.769 177.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 100' ' ' ILE . . . . . . . . . . . . . 60.5 mt -101.67 118.67 48.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.92 -0.582 . . . . 0.56999999999999995 110.159 -178.386 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 101' ' ' ASP . . . . . . . . . . . . . 37.6 t70 66.43 16.68 10.49 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 121.857 0.837 . . . . 1.3999999999999999 110.39 -179.103 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 102' ' ' GLY . . . . . . . . . . . . . . . 86.75 -2.3 87.2 Favored Glycine 0 N--CA 1.45 -0.394 0 CA-C-N 115.729 -0.669 . . . . 0.81999999999999995 111.62 -177.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 103' ' ' ARG . . . . . 0.694 ' HG3' ' HG3' ' S' ' 43' ' ' PRO . 18.9 mmt180 -93.6 139.09 31.17 Favored 'General case' 0 N--CA 1.444 -0.747 0 N-CA-C 109.511 -0.551 . . . . 3.1099999999999999 109.511 -179.643 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 104' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -78.8 99.7 6.81 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.164 0.506 . . . . 1.98 110.07 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 105' ' ' ALA . . . . . . . . . . . . . . . -88.73 166.62 13.93 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.419 -0.81 . . . . 0.33000000000000002 110.285 -178.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 106' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -133.49 123.7 25.7 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.176 -0.466 . . . . 1.99 109.791 177.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 107' ' ' VAL . . . . . 0.478 HG13 ' CG2' ' S' ' 37' ' ' ILE . 79.0 t -109.34 127.21 66.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.264 -0.88 . . . . 0.33000000000000002 110.208 -179.275 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 108' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -149.68 173.58 13.52 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.034 -0.728 . . . . 1.76 109.034 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 109' ' ' LEU . . . . . 0.453 HD13 ' HE2' ' S' ' 111' ' ' TYR . 97.8 mt -93.36 124.03 37.07 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.861 -0.422 . . . . 0.56999999999999995 109.861 178.598 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.99 -30.34 70.88 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.906 0.706 . . . . 0.66000000000000003 112.906 -169.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 111' ' ' TYR . . . . . 0.453 ' HE2' HD13 ' S' ' 109' ' ' LEU . 15.9 p90 . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 120.619 0.247 . . . . 1.25 111.37 -175.765 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 87.8 mtp . . . . . 0 N--CA 1.451 -0.393 0 CA-C-O 120.899 0.381 . . . . 1.3899999999999999 110.932 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' S' S ' 34' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -97.16 4.69 51.06 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.148 -0.478 . . . . 0.96999999999999997 111.624 -171.584 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 35' ' ' THR . . . . . . . . . . . . . 20.8 p -114.06 -18.09 11.78 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.444 -0.344 . . . . 0.55000000000000004 111.584 -178.207 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 36' ' ' LYS . . . . . . . . . . . . . 34.2 tttp -97.42 110.71 23.21 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.168 0.509 . . . . 1.95 110.709 -175.456 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 37' ' ' ILE . . . . . 0.476 ' CG2' HG13 ' S' ' 107' ' ' VAL . 74.1 mt -98.06 136.04 30.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.335 -0.848 . . . . 0.40999999999999998 110.901 -178.197 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 38' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -100.39 128.35 46.48 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.936 -0.574 . . . . 0.45000000000000001 109.461 175.002 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 39' ' ' VAL . . . . . . . . . . . . . 31.9 t -119.41 104.03 15.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.498 -0.319 . . . . 0.20000000000000001 110.291 179.277 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 40' ' ' GLY . . . . . . . . . . . . . . . -105.07 152.53 17.3 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.666 -0.778 . . . . 0.27000000000000002 112.179 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 41' ' ' GLY . . . . . . . . . . . . . . . 99.62 40.71 3.1 Favored Glycine 0 C--O 1.23 -0.134 0 C-N-CA 120.918 -0.658 . . . . 0.48999999999999999 112.207 178.792 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 42' ' ' LEU . . . . . 0.467 ' O ' ' HA2' ' S' ' 77' ' ' GLY . 92.4 mt -113.3 135.36 21.81 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-O 120.629 0.252 . . . . 0.59999999999999998 110.471 -178.059 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 43' ' ' PRO . . . . . 0.617 ' HD2' ' OG1' ' S' ' 46' ' ' THR . 16.7 Cg_exo -66.44 170.63 11.89 Favored 'Trans proline' 0 N--CA 1.462 -0.333 0 C-N-CA 122.652 2.235 . . . . 0.55000000000000004 112.213 175.345 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 44' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -71.36 -16.05 62.41 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.841 -0.618 . . . . 2.4100000000000001 110.348 -178.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 45' ' ' HIS . . . . . . . . . . . . . 11.2 m80 -82.73 -17.16 45.3 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.339 -0.846 . . . . 2.3100000000000001 110.415 -177.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 46' ' ' THR . . . . . 0.617 ' OG1' ' HD2' ' S' ' 43' ' ' PRO . 59.2 m -79.27 112.34 16.41 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-N 115.895 -0.593 . . . . 0.53000000000000003 109.474 -175.274 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 47' ' ' SER . . . . . 0.501 ' HB2' ' HG2' ' S' ' 49' ' ' LYS . 15.5 m -95.27 173.45 7.53 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.845 -0.616 . . . . 0.68000000000000005 110.051 -178.184 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 48' ' ' ASP . . . . . 0.598 ' HB2' ' O ' ' S' ' 64' ' ' ALA . 7.3 p-10 -61.63 -35.28 77.46 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.05 -0.523 . . . . 1.29 110.517 178.836 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 49' ' ' LYS . . . . . 0.501 ' HG2' ' HB2' ' S' ' 47' ' ' SER . 61.9 pttt -60.32 -37.4 80.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.951 -0.568 . . . . 2.5 110.888 175.784 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 50' ' ' THR . . . . . . . . . . . . . 1.3 m -68.7 -45.34 71.88 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-O 121.187 0.518 . . . . 0.42999999999999999 110.176 -177.483 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 51' ' ' LEU . . . . . . . . . . . . . 17.0 tp -60.1 -45.72 92.01 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.612 -0.722 . . . . 0.46000000000000002 110.403 176.352 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 52' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -60.21 -47.89 84.05 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.922 -0.581 . . . . 0.55000000000000004 110.687 178.746 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 53' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -50.56 -45.0 56.83 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.703 -0.681 . . . . 2.2400000000000002 111.452 -178.812 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 54' ' ' TYR . . . . . 0.482 ' OH ' ' HB3' ' S' ' 98' ' ' PRO . 87.2 t80 -73.02 -37.4 66.94 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.067 -0.515 . . . . 0.55000000000000004 111.986 -176.349 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 55' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -85.75 -20.5 29.18 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 113.873 1.064 . . . . 0.5 113.873 -172.246 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 56' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -58.8 -20.45 50.15 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 121.167 0.508 . . . . 1.47 111.453 -179.029 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 57' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -64.3 -29.07 70.16 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.374 0.607 . . . . 2.98 111.194 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 58' ' ' PHE . . . . . 0.417 ' O ' ' HD3' ' S' ' 91' ' ' ARG . 31.6 m-85 -98.48 -11.11 22.64 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.249 -0.887 . . . . 0.65000000000000002 111.753 -170.536 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 59' ' ' GLY . . . . . . . . . . . . . . . 159.61 -165.21 34.43 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.284 -0.96 . . . . 0.44 112.524 178.276 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 60' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -88.27 142.17 27.96 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.893 -0.41 . . . . 1.99 109.893 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 61' ' ' ILE . . . . . . . . . . . . . 57.1 mt -118.76 134.28 62.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.017 -0.538 . . . . 0.42999999999999999 110.542 -175.404 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 62' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -98.25 -36.32 10.06 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.128 0.489 . . . . 1.9099999999999999 110.614 176.255 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 63' ' ' GLU . . . . . 0.472 ' HB3' ' HB ' ' S' ' 82' ' ' THR . 30.5 tt0 -136.51 131.68 34.26 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.028 -0.533 . . . . 1.8100000000000001 110.444 -177.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 64' ' ' ALA . . . . . 0.598 ' O ' ' HB2' ' S' ' 48' ' ' ASP . . . -153.48 100.7 2.44 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.898 -0.408 . . . . 0.38 109.898 176.049 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 65' ' ' VAL . . . . . 0.484 ' HA ' ' HB3' ' S' ' 48' ' ' ASP . 29.4 m -136.97 142.93 36.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 111.766 0.284 . . . . 0.35999999999999999 111.766 -177.063 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 66' ' ' VAL . . . . . . . . . . . . . 98.0 t -94.98 117.39 38.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 108.646 -0.872 . . . . 0.29999999999999999 108.646 171.038 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 67' ' ' ILE . . . . . . . . . . . . . 48.4 mm -69.56 132.14 33.39 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 CA-C-O 121.488 0.661 . . . . 0.46999999999999997 112.036 -169.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 68' ' ' THR . . . . . . . . . . . . . 21.0 p -106.4 151.46 24.87 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 114.851 -1.068 . . . . 0.78000000000000003 110.179 179.087 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 69' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -70.31 138.43 51.49 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.374 -0.376 . . . . 1.75 110.026 177.384 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 70' ' ' ARG . . . . . . . . . . . . . 68.3 mtp180 -74.3 -18.23 60.74 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 111.769 0.285 . . . . 4.0199999999999996 111.769 -173.061 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 71' ' ' ASN . . . . . . . . . . . . . 40.7 t-20 -95.19 -56.04 2.86 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.013 0.435 . . . . 2.6400000000000001 110.677 -178.541 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 72' ' ' THR . . . . . . . . . . . . . 39.7 p -85.82 -23.63 27.08 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.525 0.565 . . . . 1.8400000000000001 112.525 -174.457 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 73' ' ' GLN . . . . . . . . . . . . . 21.0 mm-40 69.71 25.3 5.18 Favored 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 112.204 0.446 . . . . 2.3500000000000001 112.204 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 74' ' ' LYS . . . . . . . . . . . . . 56.0 mttp -106.77 155.15 20.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.289 -0.414 . . . . 2.77 109.885 172.674 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 75' ' ' SER . . . . . . . . . . . . . 7.3 m -63.87 138.01 58.29 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.455 -0.339 . . . . 1.51 111.207 -177.634 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 76' ' ' ARG . . . . . . . . . . . . . 51.4 mtt180 -83.43 -15.96 47.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.342 -0.39 . . . . 2.54 111.935 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 77' ' ' GLY . . . . . 0.467 ' HA2' ' O ' ' S' ' 42' ' ' LEU . . . 107.44 29.43 4.48 Favored Glycine 0 CA--C 1.518 0.24 0 C-N-CA 120.302 -0.951 . . . . 0.53000000000000003 113.797 174.319 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 78' ' ' TYR . . . . . . . . . . . . . 50.9 p90 -164.21 164.03 22.69 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.934 -0.395 . . . . 0.59999999999999998 109.934 178.74 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 79' ' ' GLY . . . . . . . . . . . . . . . -140.89 162.85 26.68 Favored Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 121.034 -0.603 . . . . 0.17000000000000001 112.167 179.637 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 80' ' ' PHE . . . . . 0.424 ' O ' ' HA ' ' S' ' 64' ' ' ALA . 37.3 m-85 -117.24 137.66 52.24 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.656 0.265 . . . . 0.39000000000000001 110.665 177.43 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 81' ' ' VAL . . . . . 0.441 ' HA ' ' O ' ' S' ' 63' ' ' GLU . 21.9 t -128.09 115.3 38.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.158 -0.474 . . . . 0.23999999999999999 110.357 177.815 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 82' ' ' THR . . . . . 0.472 ' HB ' ' HB3' ' S' ' 63' ' ' GLU . 40.1 m -100.29 114.32 27.71 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.98 -0.748 . . . . 0.29999999999999999 108.98 176.164 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 83' ' ' MET . . . . . 0.665 ' HG3' ' HA ' ' S' ' 89' ' ' ALA . 96.2 mmm -84.54 163.01 19.63 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.797 -0.638 . . . . 0.71999999999999997 111.584 -172.794 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 84' ' ' LYS . . . . . . . . . . . . . 66.3 tttt -57.23 -43.91 83.31 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.7 -1.136 . . . . 2.21 111.895 177.744 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 85' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -153.92 -176.21 5.74 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.457 -0.571 . . . . 1.8500000000000001 109.457 -177.14 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 86' ' ' ARG . . . . . 0.505 ' O ' ' HG3' ' S' ' 90' ' ' GLU . 22.4 ttp180 -76.93 -33.32 57.73 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.561 -0.456 . . . . 3.96 111.133 -175.11 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.05 -44.91 87.48 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.763 0.316 . . . . 0.62 110.361 -177.473 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 88' ' ' SER . . . . . . . . . . . . . 8.3 p -67.08 -38.17 85.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.373 -0.376 . . . . 0.88 110.189 177.403 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 89' ' ' ALA . . . . . 0.665 ' HA ' ' HG3' ' S' ' 83' ' ' MET . . . -59.77 -48.3 82.21 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.818 -0.628 . . . . 0.34999999999999998 111.447 175.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 90' ' ' GLU . . . . . 0.505 ' HG3' ' O ' ' S' ' 86' ' ' ARG . 78.1 mt-10 -64.41 -32.74 74.49 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 120.831 0.348 . . . . 1.8500000000000001 111.211 -179.62 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 91' ' ' ARG . . . . . 0.417 ' HD3' ' O ' ' S' ' 58' ' ' PHE . 57.3 ttt180 -69.07 -29.29 67.38 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.179 -0.464 . . . . 2.9199999999999999 110.272 179.035 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 92' ' ' ALA . . . . . . . . . . . . . . . -84.16 -42.7 15.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.46999999999999997 110.487 176.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 93' ' ' CYS . . . . . . . . . . . . . 13.0 t -80.54 3.72 20.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.05 -0.523 . . . . 1.3500000000000001 110.338 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 94' ' ' LYS . . . . . . . . . . . . . 15.9 tptp -56.44 -37.9 70.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.356 -0.838 . . . . 2.9500000000000002 110.452 176.187 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 95' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -120.69 102.13 45.04 Favored Pre-proline 0 C--N 1.319 -0.742 0 CA-C-N 115.977 -0.556 . . . . 2.1299999999999999 109.798 174.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 96' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.8 -6.56 19.39 Favored 'Trans proline' 0 C--N 1.343 0.255 0 C-N-CA 122.875 2.383 . . . . 0.76000000000000001 112.667 -176.171 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 97' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -127.07 77.17 75.6 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 120.939 0.4 . . . . 1.0800000000000001 111.029 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 98' ' ' PRO . . . . . 0.482 ' HB3' ' OH ' ' S' ' 54' ' ' TYR . 4.5 Cg_exo -81.88 163.41 18.3 Favored 'Trans proline' 0 N--CA 1.456 -0.696 0 C-N-CA 123.214 2.609 . . . . 0.53000000000000003 111.279 175.316 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 99' ' ' ILE . . . . . . . . . . . . . 48.8 mm -110.16 103.05 14.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-O 121.056 0.455 . . . . 0.51000000000000001 109.857 179.086 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 100' ' ' ILE . . . . . . . . . . . . . 62.2 mt -118.96 129.97 74.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 109.215 -0.661 . . . . 0.56999999999999995 109.215 -178.803 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 101' ' ' ASP . . . . . . . . . . . . . 29.5 t70 66.15 14.62 9.73 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 122.0 0.905 . . . . 1.3999999999999999 109.957 -177.189 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 102' ' ' GLY . . . . . . . . . . . . . . . 83.27 1.05 90.42 Favored Glycine 0 N--CA 1.449 -0.468 0 CA-C-N 115.544 -0.753 . . . . 0.81999999999999995 111.627 -175.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 103' ' ' ARG . . . . . 0.517 ' NE ' ' HG3' ' S' ' 43' ' ' PRO . 55.6 mtt180 -99.64 157.23 16.61 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 110.226 -0.287 . . . . 3.1099999999999999 110.226 -179.783 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 104' ' ' LYS . . . . . . . . . . . . . 52.9 tttm -87.72 109.59 19.82 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.116 0.484 . . . . 1.98 110.342 177.816 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 105' ' ' ALA . . . . . . . . . . . . . . . -89.77 165.46 14.15 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.785 -0.643 . . . . 0.33000000000000002 111.008 -177.346 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 106' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -124.0 110.22 14.51 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.15 -0.477 . . . . 1.99 109.933 179.305 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 107' ' ' VAL . . . . . 0.476 HG13 ' CG2' ' S' ' 37' ' ' ILE . 54.4 t -110.9 126.99 68.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.848 -0.615 . . . . 0.33000000000000002 110.57 -178.169 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 108' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -160.69 146.28 14.71 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.989 -0.551 . . . . 1.76 110.455 -177.089 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 109' ' ' LEU . . . . . 0.426 HD23 HG12 ' S' ' 37' ' ' ILE . 97.7 mt -63.79 128.51 36.13 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-O 121.154 0.502 . . . . 0.56999999999999995 110.953 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.31 -20.06 63.88 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.971 0.73 . . . . 0.66000000000000003 112.971 -169.67 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 111' ' ' TYR . . . . . . . . . . . . . 15.0 p90 . . . . . 0 N--CA 1.469 0.499 0 CA-C-O 120.587 0.232 . . . . 1.25 111.619 -174.1 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' S' S ' 33' ' ' MET . . . . . 0.589 ' HB3' ' HB3' ' S' ' 111' ' ' TYR . 58.3 mtm . . . . . 0 N--CA 1.447 -0.592 0 CA-C-O 121.185 0.517 . . . . 1.3899999999999999 110.036 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 34' ' ' PHE . . . . . 0.437 ' HB3' ' NH1' ' S' ' 86' ' ' ARG . 82.2 m-85 -94.76 -1.7 52.42 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.459 -0.791 . . . . 0.96999999999999997 111.46 -176.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 35' ' ' THR . . . . . . . . . . . . . 7.3 p -114.54 -11.92 12.35 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.079 0.399 . . . . 0.55000000000000004 112.079 -176.645 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 36' ' ' LYS . . . . . . . . . . . . . 27.7 tttp -105.69 114.82 29.2 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.288 0.566 . . . . 1.95 110.495 -178.403 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 37' ' ' ILE . . . . . . . . . . . . . 69.2 mt -94.96 135.39 29.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 115.228 -0.896 . . . . 0.40999999999999998 110.986 -178.328 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 38' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -98.9 120.71 39.79 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.965 -0.754 . . . . 0.45000000000000001 108.965 175.663 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 39' ' ' VAL . . . . . 0.527 HG21 HD11 ' S' ' 51' ' ' LEU . 20.2 t -113.86 99.58 8.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 120.773 0.32 . . . . 0.20000000000000001 110.16 -179.454 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 40' ' ' GLY . . . . . . . . . . . . . . . -106.18 154.13 16.94 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.692 -0.766 . . . . 0.27000000000000002 112.256 -178.092 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 41' ' ' GLY . . . . . . . . . . . . . . . 99.11 24.31 10.54 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.788 -0.72 . . . . 0.48999999999999999 112.026 178.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 42' ' ' LEU . . . . . 0.401 ' HA ' ' HD3' ' S' ' 43' ' ' PRO . 92.2 mt -91.72 137.64 25.47 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-O 120.6 0.238 . . . . 0.59999999999999998 110.591 -177.834 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 43' ' ' PRO . . . . . 0.556 ' HD2' ' OG1' ' S' ' 46' ' ' THR . 14.5 Cg_exo -68.4 164.86 31.02 Favored 'Trans proline' 0 N--CA 1.459 -0.541 0 C-N-CA 122.579 2.186 . . . . 0.55000000000000004 111.539 173.376 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 44' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -65.99 -20.49 66.21 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.101 0.477 . . . . 2.4100000000000001 110.85 -178.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 45' ' ' HIS . . . . . . . . . . . . . 4.0 m80 -83.52 -4.9 58.95 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.358 -0.837 . . . . 2.3100000000000001 110.177 -175.77 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 46' ' ' THR . . . . . 0.556 ' OG1' ' HD2' ' S' ' 43' ' ' PRO . 78.7 m -95.95 109.51 21.87 Favored 'General case' 0 N--CA 1.439 -1.022 0 N-CA-C 109.292 -0.633 . . . . 0.53000000000000003 109.292 -176.663 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 47' ' ' SER . . . . . . . . . . . . . 14.5 m -101.54 -175.51 2.88 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.98 -0.554 . . . . 0.68000000000000005 110.411 -176.139 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 48' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -55.93 -41.82 75.2 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.168 -0.924 . . . . 1.29 110.882 177.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 49' ' ' LYS . . . . . . . . . . . . . 24.0 pttm -59.84 -40.35 88.19 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.027 -0.533 . . . . 2.5 111.298 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 50' ' ' THR . . . . . . . . . . . . . 4.3 m -67.72 -49.21 63.8 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-O 121.265 0.555 . . . . 0.42999999999999999 110.394 -178.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 51' ' ' LEU . . . . . 0.527 HD11 HG21 ' S' ' 39' ' ' VAL . 29.5 tp -60.98 -41.63 96.8 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.404 -0.817 . . . . 0.46000000000000002 110.802 178.201 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 52' ' ' HIS . . . . . . . . . . . . . 39.8 t-80 -61.64 -48.51 80.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.532 -0.758 . . . . 0.55000000000000004 111.16 -179.496 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 53' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -57.55 -49.48 76.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.532 -0.303 . . . . 2.2400000000000002 111.585 -177.032 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 54' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -65.43 -40.09 92.9 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.533 -0.303 . . . . 0.55000000000000004 111.582 -174.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 55' ' ' PHE . . . . . 0.542 ' HA ' ' HD2' ' S' ' 58' ' ' PHE . 33.9 m-85 -84.64 -20.57 31.12 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.295 0.48 . . . . 0.5 112.295 -174.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 56' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -60.46 -26.31 66.67 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 121.283 0.563 . . . . 1.47 110.076 176.43 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 57' ' ' GLN . . . . . . . . . . . . . 16.6 tp60 -57.8 -32.56 67.68 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.528 -0.76 . . . . 2.98 110.845 174.212 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 58' ' ' PHE . . . . . 0.542 ' HD2' ' HA ' ' S' ' 55' ' ' PHE . 75.2 m-85 -91.54 -1.51 57.48 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.436 -0.347 . . . . 0.65000000000000002 111.699 -174.48 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 59' ' ' GLY . . . . . . . . . . . . . . . 143.07 -171.24 25.03 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.516 -0.85 . . . . 0.44 112.961 176.431 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 60' ' ' ASP . . . . . 0.589 ' OD1' ' HE2' ' S' ' 84' ' ' LYS . 11.7 m-20 -76.76 136.56 39.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.842 0.353 . . . . 1.99 110.512 -179.436 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 61' ' ' ILE . . . . . 0.672 HG21 ' HB2' ' S' ' 64' ' ' ALA . 56.0 mt -111.34 138.37 40.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.949 -0.568 . . . . 0.42999999999999999 110.246 -178.338 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 62' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -102.44 -26.51 13.23 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.446 -0.343 . . . . 1.9099999999999999 111.254 177.778 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 63' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -149.35 115.7 5.81 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.604 -0.271 . . . . 1.8100000000000001 110.658 178.333 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 64' ' ' ALA . . . . . 0.672 ' HB2' HG21 ' S' ' 61' ' ' ILE . . . -137.13 103.18 5.05 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.769 0.319 . . . . 0.38 110.364 177.493 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 65' ' ' VAL . . . . . . . . . . . . . 16.3 m -142.21 139.74 29.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.084 -0.507 . . . . 0.35999999999999999 110.867 -179.364 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 66' ' ' VAL . . . . . . . . . . . . . 60.0 t -90.36 121.46 40.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 108.063 -1.088 . . . . 0.29999999999999999 108.063 170.146 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 67' ' ' ILE . . . . . . . . . . . . . 50.1 mm -68.3 130.24 33.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.115 0.483 . . . . 0.46999999999999997 111.912 -167.747 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 68' ' ' THR . . . . . . . . . . . . . 27.1 p -104.02 142.49 34.36 Favored 'General case' 0 N--CA 1.441 -0.875 0 CA-C-N 115.312 -0.858 . . . . 0.78000000000000003 109.486 178.577 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 69' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -65.95 151.67 46.26 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 120.907 -0.317 . . . . 1.75 110.576 178.732 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 70' ' ' ARG . . . . . . . . . . . . . 54.2 mtm180 -76.46 -23.82 53.88 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.773 0.321 . . . . 4.0199999999999996 111.183 -175.625 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 71' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -92.75 -43.57 8.97 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.746 0.308 . . . . 2.6400000000000001 110.729 -174.403 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 72' ' ' THR . . . . . . . . . . . . . 22.5 p -99.98 -25.14 14.42 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.342 0.497 . . . . 1.8400000000000001 112.342 -176.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 73' ' ' GLN . . . . . . . . . . . . . 76.2 mm-40 60.28 37.27 20.49 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.42 0.629 . . . . 2.3500000000000001 110.891 -175.008 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 74' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -114.55 161.83 17.52 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.444 -0.798 . . . . 2.77 109.235 174.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 75' ' ' SER . . . . . . . . . . . . . 45.7 t -59.98 137.85 57.99 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.022 0.439 . . . . 1.51 111.824 -177.4 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 76' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -92.76 3.76 55.03 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.976 -0.557 . . . . 2.54 111.395 177.187 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 77' ' ' GLY . . . . . . . . . . . . . . . 90.63 13.75 59.22 Favored Glycine 0 CA--C 1.52 0.378 0 C-N-CA 120.426 -0.892 . . . . 0.53000000000000003 113.571 174.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 78' ' ' TYR . . . . . . . . . . . . . 29.1 p90 -156.35 156.35 33.77 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.884 0.373 . . . . 0.59999999999999998 110.771 177.107 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 79' ' ' GLY . . . . . . . . . . . . . . . -136.42 162.43 25.11 Favored Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 121.102 -0.571 . . . . 0.17000000000000001 111.934 178.653 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 80' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -113.64 136.16 53.13 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 122.812 -0.228 . . . . 0.39000000000000001 110.46 178.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 81' ' ' VAL . . . . . . . . . . . . . 56.3 t -123.2 116.48 48.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.048 -0.524 . . . . 0.23999999999999999 110.061 177.002 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 82' ' ' THR . . . . . . . . . . . . . 29.3 m -105.83 114.5 28.69 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.149 -0.478 . . . . 0.29999999999999999 109.776 179.068 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 83' ' ' MET . . . . . 0.623 ' HG3' ' HA ' ' S' ' 89' ' ' ALA . 92.3 mmm -87.25 170.38 11.5 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 123.783 0.677 . . . . 0.71999999999999997 110.744 -176.331 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 84' ' ' LYS . . . . . 0.589 ' HE2' ' OD1' ' S' ' 60' ' ' ASP . 0.0 OUTLIER -85.08 -18.23 34.95 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.903 0.334 . . . . 2.21 111.903 -176.146 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' S' S ' 85' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -158.8 177.35 11.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.787 0.327 . . . . 1.8500000000000001 110.581 -179.383 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 86' ' ' ARG . . . . . 0.437 ' NH1' ' HB3' ' S' ' 34' ' ' PHE . 23.9 tpt180 -73.15 -40.83 64.55 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.848 -0.614 . . . . 3.96 112.015 -174.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.63 -42.7 98.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.775 0.322 . . . . 0.62 111.128 -174.592 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 88' ' ' SER . . . . . . . . . . . . . 32.6 p -70.68 -37.65 73.65 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.788 0.327 . . . . 0.88 110.353 178.074 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 89' ' ' ALA . . . . . 0.623 ' HA ' ' HG3' ' S' ' 83' ' ' MET . . . -59.44 -51.76 68.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.815 -0.63 . . . . 0.34999999999999998 111.626 178.194 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 90' ' ' GLU . . . . . 0.537 ' O ' ' HG2' ' S' ' 94' ' ' LYS . 11.5 pt-20 -74.53 -22.24 59.13 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.521 -0.472 . . . . 1.8500000000000001 110.803 -179.063 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 91' ' ' ARG . . . . . . . . . . . . . 40.8 ttp180 -66.37 -32.36 73.69 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.818 -0.438 . . . . 2.9199999999999999 109.818 174.713 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 92' ' ' ALA . . . . . . . . . . . . . . . -77.51 -34.03 54.16 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.939 -0.573 . . . . 0.46999999999999997 109.891 174.281 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 93' ' ' CYS . . . . . . . . . . . . . 44.1 t -69.48 -9.98 56.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.576 -0.738 . . . . 1.3500000000000001 110.743 178.727 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 94' ' ' LYS . . . . . 0.537 ' HG2' ' O ' ' S' ' 90' ' ' GLU . 34.3 mmtp -69.38 -14.93 63.17 Favored 'General case' 0 CA--C 1.528 0.123 0 CA-C-N 116.292 -0.413 . . . . 2.9500000000000002 111.132 174.064 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 95' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -104.55 97.92 13.44 Favored Pre-proline 0 C--N 1.327 -0.408 0 N-CA-C 109.463 -0.569 . . . . 2.1299999999999999 109.463 178.248 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 96' ' ' PRO . . . . . 0.481 ' HD3' ' O ' ' S' ' 94' ' ' LYS . 14.4 Cg_exo -69.4 -55.48 0.19 Allowed 'Trans proline' 0 C--O 1.237 0.464 0 C-N-CA 123.063 2.509 . . . . 0.76000000000000001 112.46 -174.676 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 97' ' ' ASN . . . . . 0.407 HD22 ' HA ' ' S' ' 97' ' ' ASN . 8.1 m120 -126.19 83.9 62.75 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 115.891 -0.595 . . . . 1.0800000000000001 110.554 -179.097 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 98' ' ' PRO . . . . . 0.424 ' HG2' ' HB3' ' S' ' 105' ' ' ALA . 95.7 Cg_endo -81.98 153.58 16.97 Favored 'Trans proline' 0 N--CA 1.457 -0.657 0 C-N-CA 122.635 2.223 . . . . 0.53000000000000003 112.216 178.709 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 99' ' ' ILE . . . . . . . . . . . . . 46.7 mm -95.11 106.97 18.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 121.265 0.555 . . . . 0.51000000000000001 109.822 177.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 100' ' ' ILE . . . . . . . . . . . . . 53.8 mt -117.8 122.69 70.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.897 -0.592 . . . . 0.56999999999999995 109.83 -178.471 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 101' ' ' ASP . . . . . . . . . . . . . 19.8 t70 64.85 15.2 9.73 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.68 0.752 . . . . 1.3999999999999999 110.953 175.197 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 102' ' ' GLY . . . . . . . . . . . . . . . 99.76 1.2 56.33 Favored Glycine 0 N--CA 1.449 -0.438 0 CA-C-N 115.716 -0.675 . . . . 0.81999999999999995 112.842 179.007 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 103' ' ' ARG . . . . . 0.445 ' HA ' ' NE ' ' S' ' 103' ' ' ARG . 2.0 tpm_? -119.82 156.2 31.12 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 122.658 -0.319 . . . . 3.1099999999999999 110.366 -177.757 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 104' ' ' LYS . . . . . . . . . . . . . 29.4 ttmt -82.46 121.06 26.26 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 110.256 -0.276 . . . . 1.98 110.256 175.647 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 105' ' ' ALA . . . . . 0.424 ' HB3' ' HG2' ' S' ' 98' ' ' PRO . . . -97.73 161.52 13.71 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.36 -0.382 . . . . 0.33000000000000002 110.453 177.276 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 106' ' ' ASN . . . . . . . . . . . . . 46.8 m-80 -119.67 112.55 19.44 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.607 -0.516 . . . . 1.99 109.607 178.208 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 107' ' ' VAL . . . . . . . . . . . . . 99.3 t -103.54 126.37 58.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.845 -0.616 . . . . 0.33000000000000002 111.04 -177.447 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 108' ' ' ASN . . . . . . . . . . . . . 32.5 p-10 -157.57 168.22 27.92 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.128 -0.487 . . . . 1.76 109.926 176.005 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 109' ' ' LEU . . . . . . . . . . . . . 89.2 mt -84.92 135.32 34.1 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.457 -0.338 . . . . 0.56999999999999995 110.656 -178.397 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.76 -31.38 69.6 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.693 0.627 . . . . 0.66000000000000003 112.693 -173.5 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 111' ' ' TYR . . . . . 0.589 ' HB3' ' HB3' ' S' ' 33' ' ' MET . 4.6 p90 . . . . . 0 C--N 1.328 -0.344 0 C-N-CA 121.203 -0.199 . . . . 1.25 111.373 -175.049 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 50.2 mtm . . . . . 0 N--CA 1.45 -0.439 0 CA-C-O 121.17 0.509 . . . . 1.3899999999999999 110.008 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' S' S ' 34' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -93.06 6.07 49.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.536 -0.756 . . . . 0.96999999999999997 110.835 -176.592 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 35' ' ' THR . . . . . 0.436 ' O ' ' HA ' ' S' ' 82' ' ' THR . 12.7 p -114.38 -8.65 12.83 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.103 0.478 . . . . 0.55000000000000004 110.533 -177.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 36' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -103.68 103.14 13.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.267 -0.879 . . . . 1.95 110.669 -176.125 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 37' ' ' ILE . . . . . 0.435 ' CG2' HG13 ' S' ' 107' ' ' VAL . 66.5 mt -90.92 130.72 39.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 115.301 -0.863 . . . . 0.40999999999999998 110.771 -177.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 38' ' ' PHE . . . . . 0.455 ' HB2' ' HB2' ' S' ' 110' ' ' ALA . 90.8 t80 -98.34 121.86 40.79 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.548 -0.538 . . . . 0.45000000000000001 109.548 174.207 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 39' ' ' VAL . . . . . 0.419 HG21 HD11 ' S' ' 51' ' ' LEU . 27.9 t -117.54 98.66 6.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.314 -0.403 . . . . 0.20000000000000001 110.046 178.346 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 40' ' ' GLY . . . . . . . . . . . . . . . -104.44 152.89 17.57 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.636 -0.792 . . . . 0.27000000000000002 111.611 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 41' ' ' GLY . . . . . . . . . . . . . . . 98.66 34.69 5.16 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.804 -0.712 . . . . 0.48999999999999999 111.769 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 42' ' ' LEU . . . . . . . . . . . . . 97.5 mt -100.38 140.05 21.14 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-O 120.787 0.327 . . . . 0.59999999999999998 110.319 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 43' ' ' PRO . . . . . 0.509 ' HD2' ' OG1' ' S' ' 46' ' ' THR . 16.9 Cg_exo -68.6 168.89 18.64 Favored 'Trans proline' 0 N--CA 1.46 -0.488 0 C-N-CA 122.539 2.16 . . . . 0.55000000000000004 111.77 174.091 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 44' ' ' TYR . . . . . 0.479 ' HA ' ' HB3' ' S' ' 75' ' ' SER . 19.8 m-85 -72.72 -10.53 59.91 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.212 0.529 . . . . 2.4100000000000001 110.546 -176.774 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 45' ' ' HIS . . . . . . . . . . . . . 7.5 m80 -90.96 -4.41 56.5 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.366 -0.833 . . . . 2.3100000000000001 109.925 -175.666 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 46' ' ' THR . . . . . 0.509 ' OG1' ' HD2' ' S' ' 43' ' ' PRO . 62.6 m -92.17 113.72 26.07 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-N 115.688 -0.687 . . . . 0.53000000000000003 110.378 -175.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 47' ' ' SER . . . . . . . . . . . . . 36.6 m -103.61 178.95 4.41 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.026 -0.533 . . . . 0.68000000000000005 110.263 179.697 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 48' ' ' ASP . . . . . 0.458 ' HB2' ' O ' ' S' ' 64' ' ' ALA . 6.6 p-10 -55.08 -38.14 67.7 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.199 -0.455 . . . . 1.29 110.729 178.167 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 49' ' ' LYS . . . . . 0.533 ' O ' ' HB2' ' S' ' 53' ' ' GLU . 12.7 ptmt -61.94 -27.47 68.86 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.398 -0.819 . . . . 2.5 111.297 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 50' ' ' THR . . . . . . . . . . . . . 9.2 m -84.36 -45.59 12.62 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 120.846 0.355 . . . . 0.42999999999999999 110.779 -177.268 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 51' ' ' LEU . . . . . 0.419 HD11 HG21 ' S' ' 39' ' ' VAL . 25.6 tp -55.31 -48.38 74.22 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-O 121.444 0.64 . . . . 0.46000000000000002 109.805 174.038 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 52' ' ' HIS . . . . . . . . . . . . . 31.5 t-80 -63.38 -41.53 98.8 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.109 -0.951 . . . . 0.55000000000000004 110.901 178.273 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 53' ' ' GLU . . . . . 0.533 ' HB2' ' O ' ' S' ' 49' ' ' LYS . 5.6 tp10 -52.32 -41.55 63.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.482 -0.781 . . . . 2.2400000000000002 111.4 -177.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 54' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -81.52 -45.53 15.81 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.677 -0.692 . . . . 0.55000000000000004 112.175 -174.652 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 55' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -85.01 -20.61 30.22 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 114.76 1.393 . . . . 0.5 114.76 -167.492 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 56' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -65.95 -11.55 48.37 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 118.936 0.789 . . . . 1.47 110.863 -177.052 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 57' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -62.94 -23.24 67.29 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.971 -0.559 . . . . 2.98 110.143 176.375 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 58' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -91.07 -27.39 18.63 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.669 -0.696 . . . . 0.65000000000000002 111.69 -175.653 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 59' ' ' GLY . . . . . . . . . . . . . . . 164.98 -172.03 40.54 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.501 -0.857 . . . . 0.44 112.659 -179.322 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 60' ' ' ASP . . . . . 0.597 ' HB2' ' HB3' ' S' ' 84' ' ' LYS . 3.0 m-20 -62.28 124.33 20.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.867 0.365 . . . . 1.99 111.57 -179.229 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 61' ' ' ILE . . . . . 0.562 HG21 ' HB2' ' S' ' 64' ' ' ALA . 47.5 mt -104.32 120.71 55.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.839 -0.619 . . . . 0.42999999999999999 110.096 173.758 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 62' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -92.15 -32.87 14.95 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.373 -0.376 . . . . 1.9099999999999999 110.695 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 63' ' ' GLU . . . . . 0.415 ' HB3' ' HB ' ' S' ' 82' ' ' THR . 31.6 tt0 -140.11 126.22 19.79 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 110.041 -0.355 . . . . 1.8100000000000001 110.041 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 64' ' ' ALA . . . . . 0.562 ' HB2' HG21 ' S' ' 61' ' ' ILE . . . -150.34 101.74 3.0 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.581 0.229 . . . . 0.38 110.674 178.422 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 65' ' ' VAL . . . . . . . . . . . . . 34.9 m -139.05 144.09 30.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.421 -0.354 . . . . 0.35999999999999999 111.275 -179.031 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 66' ' ' VAL . . . . . . . . . . . . . 89.2 t -96.74 121.94 47.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 108.925 -0.769 . . . . 0.29999999999999999 108.925 172.204 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 67' ' ' ILE . . . . . . . . . . . . . 48.7 mm -73.56 116.98 16.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.275 0.56 . . . . 0.46999999999999997 111.879 -170.286 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 68' ' ' THR . . . . . . . . . . . . . 4.0 p -92.51 142.23 27.63 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.481 -0.781 . . . . 0.78000000000000003 109.725 172.665 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 69' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -64.26 139.31 58.75 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 110.08 -0.341 . . . . 1.75 110.08 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 70' ' ' ARG . . . . . . . . . . . . . 41.0 mtp180 -74.59 -23.09 58.69 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 111.82 0.304 . . . . 4.0199999999999996 111.82 -174.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 71' ' ' ASN . . . . . . . . . . . . . 46.7 t-20 -85.39 -56.61 3.44 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.81 0.338 . . . . 2.6400000000000001 110.261 -177.227 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 72' ' ' THR . . . . . 0.453 ' HB ' ' HG2' ' S' ' 74' ' ' LYS . 32.1 p -89.49 -20.6 23.65 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.087 -0.506 . . . . 1.8400000000000001 112.364 -175.2 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 73' ' ' GLN . . . . . . . . . . . . . 17.7 mm-40 64.36 28.92 13.71 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 121.34 0.591 . . . . 2.3500000000000001 111.27 -178.301 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 74' ' ' LYS . . . . . 0.453 ' HG2' ' HB ' ' S' ' 72' ' ' THR . 29.0 mmmt -104.56 154.59 19.73 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.803 -0.814 . . . . 2.77 108.803 175.466 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 75' ' ' SER . . . . . 0.479 ' HB3' ' HA ' ' S' ' 44' ' ' TYR . 44.7 t -65.26 132.63 49.55 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.85 0.357 . . . . 1.51 110.697 179.542 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 76' ' ' ARG . . . . . . . . . . . . . 92.6 mtt180 -83.92 -3.08 57.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.265 -0.425 . . . . 2.54 111.141 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 77' ' ' GLY . . . . . . . . . . . . . . . 83.72 30.46 29.45 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.644 -0.789 . . . . 0.53000000000000003 113.337 174.008 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 78' ' ' TYR . . . . . . . . . . . . . 24.1 p90 -161.67 156.57 23.23 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 110.128 -0.323 . . . . 0.59999999999999998 110.128 176.634 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 79' ' ' GLY . . . . . . . . . . . . . . . -145.14 169.41 26.82 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.838 -0.696 . . . . 0.17000000000000001 112.051 178.391 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 80' ' ' PHE . . . . . 0.404 ' CE1' ' HD1' ' S' ' 38' ' ' PHE . 96.6 m-85 -122.04 138.45 54.43 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.629 0.252 . . . . 0.39000000000000001 110.53 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 81' ' ' VAL . . . . . 0.411 ' HB ' ' HB ' ' S' ' 37' ' ' ILE . 42.3 t -122.69 122.48 66.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.29 -0.414 . . . . 0.23999999999999999 110.844 178.166 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 82' ' ' THR . . . . . 0.436 ' HA ' ' O ' ' S' ' 35' ' ' THR . 58.3 m -102.62 114.24 28.3 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.657 -0.497 . . . . 0.29999999999999999 109.657 175.84 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 83' ' ' MET . . . . . 0.625 ' HG3' ' HA ' ' S' ' 89' ' ' ALA . 98.2 mmm -92.29 165.47 13.08 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.798 -0.637 . . . . 0.71999999999999997 111.046 -177.861 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 84' ' ' LYS . . . . . 0.597 ' HB3' ' HB2' ' S' ' 60' ' ' ASP . 12.5 ptmm? -56.82 -45.76 82.09 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.434 -0.803 . . . . 2.21 112.194 179.63 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 85' ' ' ASP . . . . . 0.402 ' OD2' ' HG3' ' S' ' 84' ' ' LYS . 3.7 p30 -146.73 170.41 17.04 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.845 -0.428 . . . . 1.8500000000000001 109.845 -177.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 86' ' ' ARG . . . . . 0.509 ' O ' ' HG3' ' S' ' 90' ' ' GLU . 39.2 ptt180 -69.29 -32.73 72.07 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.059 -0.519 . . . . 3.96 111.993 -174.745 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 87' ' ' ALA . . . . . . . . . . . . . . . -71.63 -43.52 66.01 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.87 0.367 . . . . 0.62 110.46 -177.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 88' ' ' SER . . . . . . . . . . . . . 50.8 m -63.32 -39.5 94.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.158 0.504 . . . . 0.88 110.011 175.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 89' ' ' ALA . . . . . 0.625 ' HA ' ' HG3' ' S' ' 83' ' ' MET . . . -59.97 -42.72 94.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.578 -0.737 . . . . 0.34999999999999998 110.927 174.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 90' ' ' GLU . . . . . 0.522 ' O ' ' HG2' ' S' ' 94' ' ' LYS . 44.7 mt-10 -62.03 -35.41 78.51 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 116.55 -0.295 . . . . 1.8500000000000001 111.174 177.402 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 91' ' ' ARG . . . . . . . . . . . . . 53.5 ttt180 -62.28 -37.77 86.79 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 110.04 -0.355 . . . . 2.9199999999999999 110.04 177.752 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 92' ' ' ALA . . . . . . . . . . . . . . . -71.18 -35.88 71.77 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.945 -0.57 . . . . 0.46999999999999997 110.598 176.173 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 93' ' ' CYS . . . . . . . . . . . . . 22.3 t -78.63 0.1 27.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.804 -0.634 . . . . 1.3500000000000001 110.945 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 94' ' ' LYS . . . . . 0.522 ' HG2' ' O ' ' S' ' 90' ' ' GLU . 37.9 mmtm -71.81 -11.58 60.87 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.366 -0.379 . . . . 2.9500000000000002 110.765 172.248 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 95' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -111.65 85.77 6.37 Favored Pre-proline 0 C--N 1.327 -0.386 0 N-CA-C 109.318 -0.623 . . . . 2.1299999999999999 109.318 170.212 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 96' ' ' PRO . . . . . 0.425 ' HD3' ' O ' ' S' ' 94' ' ' LYS . 19.6 Cg_exo -66.73 -33.43 34.81 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.941 2.427 . . . . 0.76000000000000001 112.089 -176.713 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 97' ' ' ASN . . . . . 0.475 ' HA ' ' O ' ' S' ' 105' ' ' ALA . 10.1 m120 -125.28 85.02 58.89 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 115.978 -0.555 . . . . 1.0800000000000001 110.427 178.422 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 98' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -83.95 149.18 12.28 Favored 'Trans proline' 0 N--CA 1.455 -0.781 0 C-N-CA 122.844 2.363 . . . . 0.53000000000000003 111.653 176.453 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 99' ' ' ILE . . . . . . . . . . . . . 47.9 mm -97.52 91.47 2.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 121.629 0.728 . . . . 0.51000000000000001 110.052 178.621 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 100' ' ' ILE . . . . . . . . . . . . . 58.5 mt -102.49 118.44 49.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 115.281 -0.872 . . . . 0.56999999999999995 109.884 -178.209 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 101' ' ' ASP . . . . . 0.404 ' OD2' ' HG2' ' S' ' 43' ' ' PRO . 33.0 t70 65.06 14.42 9.35 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-O 122.042 0.925 . . . . 1.3999999999999999 110.448 -177.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 102' ' ' GLY . . . . . . . . . . . . . . . 93.84 -1.19 68.0 Favored Glycine 0 N--CA 1.448 -0.502 0 CA-C-N 115.737 -0.665 . . . . 0.81999999999999995 112.027 -178.271 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 103' ' ' ARG . . . . . . . . . . . . . 2.7 tpp180 -99.63 138.47 36.66 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.592 -0.522 . . . . 3.1099999999999999 109.592 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 104' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -84.3 103.15 13.23 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.846 -0.428 . . . . 1.98 109.846 179.059 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 105' ' ' ALA . . . . . 0.475 ' O ' ' HA ' ' S' ' 97' ' ' ASN . . . -82.86 164.5 20.48 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.86 -0.609 . . . . 0.33000000000000002 111.125 -177.155 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 106' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -117.09 109.14 16.58 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.776 -0.647 . . . . 1.99 109.29 177.336 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 107' ' ' VAL . . . . . 0.435 HG13 ' CG2' ' S' ' 37' ' ' ILE . 76.8 t -104.76 127.63 59.07 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 115.938 -0.574 . . . . 0.33000000000000002 110.609 -176.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 108' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -159.01 156.78 29.99 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.872 -0.604 . . . . 1.76 109.584 -179.563 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 109' ' ' LEU . . . . . . . . . . . . . 93.4 mt -70.99 123.75 22.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.055 0.455 . . . . 0.56999999999999995 109.793 177.374 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 110' ' ' ALA . . . . . 0.455 ' HB2' ' HB2' ' S' ' 38' ' ' PHE . . . -70.57 -10.86 60.3 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 113.01 0.745 . . . . 0.66000000000000003 113.01 -170.348 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 111' ' ' TYR . . . . . . . . . . . . . 8.2 p90 . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 120.674 0.273 . . . . 1.25 111.313 -175.91 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 27.1 ttt . . . . . 0 N--CA 1.451 -0.38 0 CA-C-O 121.01 0.433 . . . . 1.3899999999999999 110.595 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' S' S ' 34' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -96.9 1.15 50.16 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.875 -0.602 . . . . 0.96999999999999997 110.998 -174.505 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 35' ' ' THR . . . . . 0.447 ' O ' ' HA ' ' S' ' 82' ' ' THR . 25.0 p -110.4 4.48 20.66 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.401 0.619 . . . . 0.55000000000000004 109.933 -178.526 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 36' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -102.18 102.77 13.24 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.078 -0.965 . . . . 1.95 110.852 -173.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 37' ' ' ILE . . . . . . . . . . . . . 66.9 mt -97.42 136.03 29.67 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-N 115.28 -0.873 . . . . 0.40999999999999998 110.703 -178.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 38' ' ' PHE . . . . . 0.406 ' HD1' ' CE1' ' S' ' 80' ' ' PHE . 84.9 t80 -98.35 126.88 44.04 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.177 -0.675 . . . . 0.45000000000000001 109.177 175.362 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 39' ' ' VAL . . . . . . . . . . . . . 20.5 t -120.23 96.37 4.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 120.946 0.403 . . . . 0.20000000000000001 110.356 177.777 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 40' ' ' GLY . . . . . . . . . . . . . . . -109.5 170.47 14.42 Favored Glycine 0 N--CA 1.449 -0.5 0 N-CA-C 110.927 -0.869 . . . . 0.27000000000000002 110.927 177.65 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 41' ' ' GLY . . . . . . . . . . . . . . . 88.33 7.61 72.55 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.381 -0.914 . . . . 0.48999999999999999 112.05 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 42' ' ' LEU . . . . . . . . . . . . . 96.3 mt -74.35 157.36 86.56 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-N 115.775 -0.213 . . . . 0.59999999999999998 110.462 -179.332 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 43' ' ' PRO . . . . . 0.511 ' HG2' ' HB3' ' S' ' 101' ' ' ASP . 44.9 Cg_exo -58.15 152.32 53.17 Favored 'Trans proline' 0 N--CA 1.459 -0.512 0 C-N-CA 122.333 2.022 . . . . 0.55000000000000004 111.33 169.848 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 44' ' ' TYR . . . . . . . . . . . . . 66.5 t80 -59.87 -33.78 72.27 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 112.667 0.617 . . . . 2.4100000000000001 112.667 -173.813 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 45' ' ' HIS . . . . . . . . . . . . . 45.1 p-80 -104.52 25.92 9.65 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.05 0.389 . . . . 2.3100000000000001 112.05 -172.616 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 46' ' ' THR . . . . . . . . . . . . . 85.5 m -71.61 123.19 21.94 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.836 0.35 . . . . 0.53000000000000003 110.083 178.498 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 47' ' ' SER . . . . . . . . . . . . . 31.5 m -88.11 157.43 18.85 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-O 120.952 0.406 . . . . 0.68000000000000005 111.134 -177.345 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 48' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -54.09 -45.7 71.88 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.338 -0.846 . . . . 1.29 111.322 -178.663 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 49' ' ' LYS . . . . . 0.477 ' O ' ' HB2' ' S' ' 53' ' ' GLU . 13.0 ptmm? -59.46 -32.59 70.37 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-N 116.3 -0.409 . . . . 2.5 111.21 -179.564 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 50' ' ' THR . . . . . . . . . . . . . 40.9 m -71.31 -39.39 71.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.85 0.357 . . . . 0.42999999999999999 110.974 -177.62 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 51' ' ' LEU . . . . . 0.621 HD22 ' HA3' ' S' ' 79' ' ' GLY . 47.9 tp -64.11 -47.67 79.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.045 0.45 . . . . 0.46000000000000002 110.189 176.38 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 52' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -61.15 -44.44 97.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.633 -0.712 . . . . 0.55000000000000004 110.72 178.022 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 53' ' ' GLU . . . . . 0.477 ' HB2' ' O ' ' S' ' 49' ' ' LYS . 30.6 tt0 -59.79 -36.39 76.6 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.462 -0.79 . . . . 2.2400000000000002 111.776 -177.062 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 54' ' ' TYR . . . . . . . . . . . . . 71.3 t80 -76.49 -40.47 50.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.898 0.38 . . . . 0.55000000000000004 111.161 -178.419 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 55' ' ' PHE . . . . . 0.6 ' HA ' ' HD2' ' S' ' 58' ' ' PHE . 27.4 m-85 -79.01 -19.49 51.43 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 111.961 0.356 . . . . 0.5 111.961 -177.316 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 56' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -52.2 -25.97 10.48 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.941 -0.572 . . . . 1.47 111.004 176.642 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 57' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -71.58 -37.93 70.98 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.55 0.69 . . . . 2.98 110.84 -177.32 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 58' ' ' PHE . . . . . 0.6 ' HD2' ' HA ' ' S' ' 55' ' ' PHE . 87.2 m-85 -75.62 -30.52 59.55 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.914 -1.039 . . . . 0.65000000000000002 111.697 -175.01 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 59' ' ' GLY . . . . . . . . . . . . . . . 171.53 -163.1 35.73 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.26 -0.971 . . . . 0.44 112.498 178.479 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 60' ' ' ASP . . . . . 0.988 ' HB3' ' HG2' ' S' ' 84' ' ' LYS . 27.5 t0 -88.68 143.35 26.99 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.02 0.438 . . . . 1.99 110.095 -178.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 61' ' ' ILE . . . . . . . . . . . . . 20.7 mt -121.96 136.53 58.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 115.898 -0.592 . . . . 0.42999999999999999 110.549 -170.398 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 62' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -86.64 -36.15 18.95 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.739 -0.384 . . . . 1.9099999999999999 110.46 177.058 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 63' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -164.79 136.51 4.35 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.499 -0.318 . . . . 1.8100000000000001 110.567 174.6 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 64' ' ' ALA . . . . . . . . . . . . . . . -145.12 108.65 4.65 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.657 -0.497 . . . . 0.38 109.657 177.011 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 65' ' ' VAL . . . . . . . . . . . . . 24.3 m -136.4 148.71 27.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 120.946 0.403 . . . . 0.35999999999999999 111.873 -174.485 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 66' ' ' VAL . . . . . . . . . . . . . 87.8 t -90.44 116.14 31.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 109.025 -0.732 . . . . 0.29999999999999999 109.025 172.37 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 67' ' ' ILE . . . . . . . . . . . . . 46.2 mm -70.06 125.61 28.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.117 -0.492 . . . . 0.46999999999999997 111.409 -173.075 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 68' ' ' THR . . . . . . . . . . . . . 9.5 p -82.53 138.62 34.24 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.548 -0.751 . . . . 0.78000000000000003 109.518 175.24 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 69' ' ' ASP . . . . . 0.403 ' HA ' ' NE ' ' S' ' 76' ' ' ARG . 30.7 t70 -56.53 136.31 54.32 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-O 121.222 0.534 . . . . 1.75 110.358 -178.022 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 70' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -78.83 -12.98 60.05 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 116.154 -0.475 . . . . 4.0199999999999996 111.477 -171.236 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 71' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -95.19 -56.48 2.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.96 0.409 . . . . 2.6400000000000001 110.732 177.779 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 72' ' ' THR . . . . . 0.423 ' O ' ' HB2' ' S' ' 73' ' ' GLN . 38.0 p -86.81 -23.21 25.43 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.959 -0.564 . . . . 1.8400000000000001 112.353 -174.694 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 73' ' ' GLN . . . . . 0.423 ' HB2' ' O ' ' S' ' 72' ' ' THR . 25.7 mm-40 73.14 11.67 5.06 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.382 0.673 . . . . 2.3500000000000001 111.111 -176.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 74' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -94.28 156.95 16.27 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.44 -0.578 . . . . 2.77 109.44 176.038 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 75' ' ' SER . . . . . . . . . . . . . 15.2 m -56.74 145.55 28.73 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.689 0.28 . . . . 1.51 111.016 -178.741 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 76' ' ' ARG . . . . . 0.422 ' HB3' ' CE1' ' S' ' 78' ' ' TYR . 81.8 mtt180 -100.49 -3.53 30.62 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.161 0.43 . . . . 2.54 112.161 -179.367 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 77' ' ' GLY . . . . . . . . . . . . . . . 77.16 29.45 56.59 Favored Glycine 0 CA--C 1.521 0.447 0 C-N-CA 120.522 -0.847 . . . . 0.53000000000000003 113.335 177.186 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 78' ' ' TYR . . . . . 0.422 ' CE1' ' HB3' ' S' ' 76' ' ' ARG . 22.5 p90 -157.77 157.23 32.99 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.738 -0.468 . . . . 0.59999999999999998 109.738 174.63 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 79' ' ' GLY . . . . . 0.621 ' HA3' HD22 ' S' ' 51' ' ' LEU . . . -141.04 163.14 26.71 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.303 -0.951 . . . . 0.17000000000000001 112.36 -179.194 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 80' ' ' PHE . . . . . 0.406 ' CE1' ' HD1' ' S' ' 38' ' ' PHE . 97.3 m-85 -114.66 138.48 50.64 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.786 -0.45 . . . . 0.39000000000000001 109.786 175.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 81' ' ' VAL . . . . . . . . . . . . . 43.5 t -121.05 125.22 73.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.151 -0.477 . . . . 0.23999999999999999 110.568 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 82' ' ' THR . . . . . 0.447 ' HA ' ' O ' ' S' ' 35' ' ' THR . 17.1 m -111.38 107.03 16.14 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.213 -0.662 . . . . 0.29999999999999999 109.213 175.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 83' ' ' MET . . . . . 0.651 ' HG3' ' HA ' ' S' ' 89' ' ' ALA . 93.9 mmm -82.36 158.6 23.31 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.873 -0.603 . . . . 0.71999999999999997 110.23 -177.539 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 84' ' ' LYS . . . . . 0.988 ' HG2' ' HB3' ' S' ' 60' ' ' ASP . 0.0 OUTLIER -75.34 -22.04 57.91 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.346 -0.388 . . . . 2.21 111.536 -176.378 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' S' S ' 85' ' ' ASP . . . . . 0.589 ' HB2' ' HD3' ' S' ' 84' ' ' LYS . 32.7 t70 -149.72 159.55 44.25 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 110.079 -0.341 . . . . 1.8500000000000001 110.079 -175.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 86' ' ' ARG . . . . . 0.485 ' O ' ' HG2' ' S' ' 90' ' ' GLU . 60.5 ttt180 -67.5 -38.05 83.73 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 111.88 0.326 . . . . 3.96 111.88 -177.379 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.89 -50.15 74.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.79 0.329 . . . . 0.62 111.25 -174.538 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 88' ' ' SER . . . . . . . . . . . . . 3.0 p -65.83 -36.22 82.87 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.841 0.353 . . . . 0.88 110.857 177.095 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 89' ' ' ALA . . . . . 0.651 ' HA ' ' HG3' ' S' ' 83' ' ' MET . . . -61.06 -54.92 38.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.995 -0.548 . . . . 0.34999999999999998 111.8 178.168 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 90' ' ' GLU . . . . . 0.485 ' HG2' ' O ' ' S' ' 86' ' ' ARG . 22.2 pt-20 -71.85 -22.52 61.52 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 121.074 -0.251 . . . . 1.8500000000000001 110.994 -177.367 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 91' ' ' ARG . . . . . . . . . . . . . 68.6 ttt180 -61.08 -42.9 99.37 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.992 0.425 . . . . 2.9199999999999999 110.077 173.397 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.76 -31.95 68.93 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.866 -0.607 . . . . 0.46999999999999997 110.493 177.124 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 93' ' ' CYS . . . . . . . . . . . . . 44.3 t -75.31 -10.24 59.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.943 -0.571 . . . . 1.3500000000000001 111.207 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 94' ' ' LYS . . . . . 0.416 ' HB3' ' HE3' ' S' ' 94' ' ' LYS . 24.5 mmmt -64.4 -22.1 66.85 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.642 -0.254 . . . . 2.9500000000000002 110.983 175.477 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 95' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -114.47 101.04 54.0 Favored Pre-proline 0 C--N 1.327 -0.379 0 N-CA-C 109.505 -0.554 . . . . 2.1299999999999999 109.505 176.431 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 96' ' ' PRO . . . . . 0.436 ' O ' ' HA ' ' S' ' 106' ' ' ASN . 67.4 Cg_endo -74.85 -24.89 12.71 Favored 'Trans proline' 0 N--CA 1.46 -0.49 0 C-N-CA 122.509 2.139 . . . . 0.76000000000000001 113.334 -175.044 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 97' ' ' ASN . . . . . 0.585 ' HA ' ' O ' ' S' ' 105' ' ' ALA . 86.4 m-20 -137.97 74.09 44.5 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 120.658 0.266 . . . . 1.0800000000000001 111.061 -175.104 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 98' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -84.53 156.33 12.28 Favored 'Trans proline' 0 N--CA 1.457 -0.675 0 C-N-CA 122.969 2.446 . . . . 0.53000000000000003 111.811 177.383 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 99' ' ' ILE . . . . . . . . . . . . . 44.8 mm -90.35 100.73 11.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 116.076 -0.511 . . . . 0.51000000000000001 110.064 177.72 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 100' ' ' ILE . . . . . . . . . . . . . 49.6 mt -107.15 116.79 51.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 116.215 -0.448 . . . . 0.56999999999999995 109.862 179.469 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 101' ' ' ASP . . . . . 0.511 ' HB3' ' HG2' ' S' ' 43' ' ' PRO . 34.3 t70 59.87 22.63 11.6 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 115.276 -0.875 . . . . 1.3999999999999999 111.323 177.028 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 102' ' ' GLY . . . . . . . . . . . . . . . 98.55 4.6 57.1 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.695 -0.764 . . . . 0.81999999999999995 113.306 175.475 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 103' ' ' ARG . . . . . 0.524 ' HE ' ' HA ' ' S' ' 103' ' ' ARG . 0.0 OUTLIER -123.35 152.81 41.12 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 117.482 0.641 . . . . 3.1099999999999999 110.799 179.912 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' S' S ' 104' ' ' LYS . . . . . . . . . . . . . 39.5 mtpt -80.11 111.06 16.1 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-N 116.265 -0.425 . . . . 1.98 110.77 175.733 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 105' ' ' ALA . . . . . 0.585 ' O ' ' HA ' ' S' ' 97' ' ' ASN . . . -93.8 161.83 14.17 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.762 -0.654 . . . . 0.33000000000000002 110.097 177.032 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 106' ' ' ASN . . . . . 0.436 ' HA ' ' O ' ' S' ' 96' ' ' PRO . 27.5 t-20 -117.12 109.68 17.24 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 109.004 -0.739 . . . . 1.99 109.004 176.078 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 107' ' ' VAL . . . . . . . . . . . . . 88.7 t -107.65 126.48 64.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.878 -0.601 . . . . 0.33000000000000002 110.087 -177.624 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 108' ' ' ASN . . . . . . . . . . . . . 29.5 p-10 -168.84 170.05 9.44 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.098 -0.501 . . . . 1.76 110.481 177.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 109' ' ' LEU . . . . . 0.446 HD13 ' HE2' ' S' ' 111' ' ' TYR . 92.6 mt -70.78 123.24 21.48 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.208 -0.451 . . . . 0.56999999999999995 110.151 178.472 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.8 -29.77 70.97 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 113.057 0.762 . . . . 0.66000000000000003 113.057 -170.175 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 111' ' ' TYR . . . . . 0.446 ' HE2' HD13 ' S' ' 109' ' ' LEU . 31.4 p90 . . . . . 0 C--N 1.328 -0.361 0 C-N-CA 120.983 -0.287 . . . . 1.25 111.407 -175.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 88.3 mtp . . . . . 0 N--CA 1.454 -0.26 0 CA-C-O 120.979 0.418 . . . . 1.3899999999999999 110.36 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' S' S ' 34' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -97.92 3.46 49.65 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.805 -0.634 . . . . 0.96999999999999997 111.553 -176.538 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 35' ' ' THR . . . . . . . . . . . . . 7.1 p -114.53 -11.79 12.38 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.037 0.446 . . . . 0.55000000000000004 110.875 -178.396 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 36' ' ' LYS . . . . . . . . . . . . . 73.5 tttt -102.47 115.45 30.61 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.027 -0.533 . . . . 1.95 110.084 -177.237 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 37' ' ' ILE . . . . . . . . . . . . . 66.9 mt -96.3 131.38 43.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.796 -0.638 . . . . 0.40999999999999998 110.797 -178.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 38' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -97.17 116.47 29.43 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.577 -0.738 . . . . 0.45000000000000001 109.147 173.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 39' ' ' VAL . . . . . . . . . . . . . 18.3 t -112.34 109.42 28.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 120.991 0.424 . . . . 0.20000000000000001 110.657 -178.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 40' ' ' GLY . . . . . . . . . . . . . . . -109.14 168.08 13.2 Favored Glycine 0 N--CA 1.443 -0.891 0 C-N-CA 120.948 -0.644 . . . . 0.27000000000000002 111.727 178.401 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.98 17.2 63.6 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.831 -0.699 . . . . 0.48999999999999999 112.566 179.571 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 42' ' ' LEU . . . . . . . . . . . . . 92.7 mt -82.1 145.79 53.65 Favored Pre-proline 0 C--N 1.328 -0.362 0 O-C-N 122.796 -0.238 . . . . 0.59999999999999998 110.433 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 43' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.15 160.19 8.71 Favored 'Trans proline' 0 CA--C 1.532 0.399 0 C-N-CA 122.552 2.168 . . . . 0.55000000000000004 112.402 175.653 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 44' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -75.52 1.84 13.19 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 113.389 0.885 . . . . 2.4100000000000001 113.389 -165.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 45' ' ' HIS . . . . . . . . . . . . . 7.9 p80 -140.83 13.19 2.28 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 121.73 -0.607 . . . . 2.3100000000000001 110.962 178.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 46' ' ' THR . . . . . . . . . . . . . 86.9 m -76.15 114.82 15.24 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 108.995 -0.743 . . . . 0.53000000000000003 108.995 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 47' ' ' SER . . . . . . . . . . . . . 50.4 m -97.45 -177.27 3.76 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.185 0.517 . . . . 0.68000000000000005 111.996 -171.724 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 48' ' ' ASP . . . . . 0.401 ' CB ' ' HA ' ' S' ' 65' ' ' VAL . 7.8 p-10 -59.88 -38.24 81.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.058 -0.974 . . . . 1.29 111.994 -174.064 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 49' ' ' LYS . . . . . 0.48 ' HG3' ' N ' ' S' ' 50' ' ' THR . 5.0 ptpp? -59.24 -33.55 71.15 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.876 0.369 . . . . 2.5 110.837 -178.436 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 50' ' ' THR . . . . . 0.48 ' N ' ' HG3' ' S' ' 49' ' ' LYS . 7.9 m -76.6 -47.91 20.87 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.126 -0.488 . . . . 0.42999999999999999 110.809 -177.205 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 51' ' ' LEU . . . . . . . . . . . . . 21.1 tp -64.22 -42.59 96.5 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.418 -0.355 . . . . 0.46000000000000002 110.92 -179.426 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 52' ' ' HIS . . . . . . . . . . . . . 11.2 t-80 -61.36 -52.2 65.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.08 -0.509 . . . . 0.55000000000000004 110.873 178.53 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 53' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -60.31 -30.04 69.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 2.2400000000000002 111.643 -175.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 54' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -74.54 -49.96 19.93 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.395 -0.366 . . . . 0.55000000000000004 111.469 -179.498 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 55' ' ' PHE . . . . . 0.448 ' HA ' ' HD2' ' S' ' 58' ' ' PHE . 38.9 m-85 -78.03 -20.77 51.81 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.655 0.613 . . . . 0.5 112.655 -173.396 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 56' ' ' GLU . . . . . 0.415 ' HA ' ' O ' ' S' ' 59' ' ' GLY . 30.3 tt0 -64.49 -20.7 66.36 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.244 0.545 . . . . 1.47 110.748 -179.435 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 57' ' ' GLN . . . . . . . . . . . . . 34.0 tp60 -62.7 -32.14 73.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.566 -0.743 . . . . 2.98 110.711 173.411 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 58' ' ' PHE . . . . . 0.448 ' HD2' ' HA ' ' S' ' 55' ' ' PHE . 85.6 m-85 -89.0 -12.23 42.0 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.818 0.342 . . . . 0.65000000000000002 111.035 -177.034 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 59' ' ' GLY . . . . . 0.415 ' O ' ' HA ' ' S' ' 56' ' ' GLU . . . 160.94 167.92 22.08 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.693 -0.765 . . . . 0.44 112.095 179.003 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 60' ' ' ASP . . . . . 0.623 ' HB2' ' HD2' ' S' ' 84' ' ' LYS . 3.6 m-20 -68.02 144.84 54.96 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 110.143 -0.318 . . . . 1.99 110.143 -179.387 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 61' ' ' ILE . . . . . . . . . . . . . 75.3 mt -118.71 139.28 46.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.996 0.427 . . . . 0.42999999999999999 111.493 -172.478 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 62' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -76.65 -55.61 5.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.003 -0.544 . . . . 1.9099999999999999 110.148 173.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 63' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -161.94 120.71 2.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.682 -0.69 . . . . 1.8100000000000001 110.489 -176.646 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 64' ' ' ALA . . . . . 0.503 ' HB2' HG13 ' S' ' 81' ' ' VAL . . . -126.18 110.17 13.17 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.935 -0.575 . . . . 0.38 110.617 178.816 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 65' ' ' VAL . . . . . 0.401 ' HA ' ' CB ' ' S' ' 48' ' ' ASP . 33.9 m -131.16 142.96 42.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.824 0.345 . . . . 0.35999999999999999 111.017 -177.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 66' ' ' VAL . . . . . 0.464 HG13 ' O ' ' S' ' 78' ' ' TYR . 94.3 t -95.49 123.03 47.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 108.616 -0.883 . . . . 0.29999999999999999 108.616 172.879 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 67' ' ' ILE . . . . . . . . . . . . . 49.3 mm -68.97 126.72 29.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.048 -0.524 . . . . 0.46999999999999997 111.48 -170.354 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 68' ' ' THR . . . . . . . . . . . . . 4.7 p -99.93 131.84 45.65 Favored 'General case' 0 N--CA 1.443 -0.817 0 CA-C-N 115.349 -0.842 . . . . 0.78000000000000003 109.39 176.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 69' ' ' ASP . . . . . 0.499 ' HB3' ' OG1' ' S' ' 72' ' ' THR . 28.3 t70 -64.25 148.18 50.74 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.322 -0.399 . . . . 1.75 110.904 -176.357 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 70' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 -73.35 -22.75 60.22 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.187 -0.46 . . . . 4.0199999999999996 111.629 -174.197 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 71' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -94.85 -52.02 4.44 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.505 -0.316 . . . . 2.6400000000000001 111.07 -178.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 72' ' ' THR . . . . . 0.499 ' OG1' ' HB3' ' S' ' 69' ' ' ASP . 39.9 p -82.78 -23.75 33.74 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.347 -0.388 . . . . 1.8400000000000001 111.75 -176.298 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 73' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 58.64 30.5 19.97 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 121.315 0.579 . . . . 2.3500000000000001 111.316 -177.261 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 74' ' ' LYS . . . . . . . . . . . . . 58.8 mttp -124.95 168.56 13.13 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.321 -0.854 . . . . 2.77 109.913 178.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 75' ' ' SER . . . . . . . . . . . . . 37.1 m -60.41 130.84 48.62 Favored 'General case' 0 C--N 1.329 -0.316 0 O-C-N 123.735 0.647 . . . . 1.51 111.388 -177.353 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 76' ' ' ARG . . . . . . . . . . . . . 86.4 mtt180 -84.82 6.64 23.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.008 0.432 . . . . 2.54 111.162 176.391 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 77' ' ' GLY . . . . . . . . . . . . . . . 81.41 17.41 71.36 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.503 -0.856 . . . . 0.53000000000000003 112.902 175.624 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 78' ' ' TYR . . . . . 0.464 ' O ' HG13 ' S' ' 66' ' ' VAL . 22.1 p90 -152.48 153.97 34.57 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 110.022 -0.362 . . . . 0.59999999999999998 110.022 176.588 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 79' ' ' GLY . . . . . . . . . . . . . . . -142.5 165.08 26.86 Favored Glycine 0 N--CA 1.445 -0.735 0 C-N-CA 120.807 -0.711 . . . . 0.17000000000000001 112.0 179.587 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 80' ' ' PHE . . . . . 0.497 ' O ' ' HA ' ' S' ' 64' ' ' ALA . 88.9 m-85 -117.67 134.93 54.37 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.899 -0.408 . . . . 0.39000000000000001 109.899 178.599 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 81' ' ' VAL . . . . . 0.503 HG13 ' HB2' ' S' ' 64' ' ' ALA . 48.4 t -123.17 109.16 22.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.324 -0.398 . . . . 0.23999999999999999 110.578 -179.791 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 82' ' ' THR . . . . . . . . . . . . . 20.8 m -90.91 112.77 24.76 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 109.233 -0.654 . . . . 0.29999999999999999 109.233 177.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 83' ' ' MET . . . . . 0.557 ' HG3' ' HA ' ' S' ' 89' ' ' ALA . 94.6 mmm -85.23 165.09 17.65 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 123.366 0.416 . . . . 0.71999999999999997 110.629 -177.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 84' ' ' LYS . . . . . 0.623 ' HD2' ' HB2' ' S' ' 60' ' ' ASP . 13.8 ptmm? -63.42 -41.55 98.71 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.876 -0.602 . . . . 2.21 110.963 179.127 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 85' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -137.88 170.36 16.19 Favored 'General case' 0 CA--C 1.511 -0.541 0 CA-C-N 115.437 -0.801 . . . . 1.8500000000000001 110.162 -175.073 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 86' ' ' ARG . . . . . . . . . . . . . 36.4 ptt180 -74.38 -22.98 58.93 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.468 -0.787 . . . . 3.96 109.752 173.116 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 87' ' ' ALA . . . . . . . . . . . . . . . -75.83 -38.98 57.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.62 110.899 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 88' ' ' SER . . . . . . . . . . . . . 29.5 p -70.61 -39.41 73.77 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.261 -0.644 . . . . 0.88 109.261 175.47 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 89' ' ' ALA . . . . . 0.557 ' HA ' ' HG3' ' S' ' 83' ' ' MET . . . -56.56 -49.05 75.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.163 -0.926 . . . . 0.34999999999999998 111.053 174.081 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 90' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -55.94 -41.61 74.92 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 116.338 -0.392 . . . . 1.8500000000000001 111.394 177.122 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 91' ' ' ARG . . . . . . . . . . . . . 37.4 ttp180 -68.26 -22.97 64.72 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.347 -0.388 . . . . 2.9199999999999999 110.792 -177.705 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 92' ' ' ALA . . . . . . . . . . . . . . . -89.69 -32.27 17.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.175 -0.466 . . . . 0.46999999999999997 111.024 176.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 93' ' ' CYS . . . . . . . . . . . . . 52.4 m -93.79 7.89 43.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.172 0.51 . . . . 1.3500000000000001 110.892 -178.467 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 94' ' ' LYS . . . . . . . . . . . . . 14.2 tppt? -67.94 -11.57 59.05 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.747 -0.66 . . . . 2.9500000000000002 110.969 179.062 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 95' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -129.13 115.39 18.73 Favored Pre-proline 0 C--N 1.323 -0.573 0 N-CA-C 108.903 -0.777 . . . . 2.1299999999999999 108.903 171.785 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 96' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -69.55 -25.58 29.45 Favored 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 122.433 2.089 . . . . 0.76000000000000001 113.389 -175.43 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 97' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -136.31 75.34 52.69 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-O 120.611 0.243 . . . . 1.0800000000000001 111.47 -175.78 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 98' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -87.94 161.2 7.44 Favored 'Trans proline' 0 N--CA 1.452 -0.964 0 C-N-CA 122.61 2.207 . . . . 0.53000000000000003 111.62 176.114 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 99' ' ' ILE . . . . . . . . . . . . . 52.0 mm -90.81 107.34 18.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.132 -0.485 . . . . 0.51000000000000001 110.247 178.425 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 100' ' ' ILE . . . . . . . . . . . . . 47.6 mt -112.74 116.76 53.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.908 -0.587 . . . . 0.56999999999999995 110.238 -177.451 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 101' ' ' ASP . . . . . . . . . . . . . 24.8 t0 63.55 26.12 14.62 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.858 0.837 . . . . 1.3999999999999999 110.544 175.177 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 102' ' ' GLY . . . . . . . . . . . . . . . 88.43 10.16 68.42 Favored Glycine 0 N--CA 1.449 -0.444 0 CA-C-N 115.587 -0.733 . . . . 0.81999999999999995 112.619 178.605 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 103' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' S' ' 103' ' ' ARG . 3.6 tpt180 -127.92 140.34 52.06 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.66 0.267 . . . . 3.1099999999999999 110.492 -177.712 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 104' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -78.49 111.68 14.78 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 110.011 -0.366 . . . . 1.98 110.011 176.109 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 105' ' ' ALA . . . . . . . . . . . . . . . -106.88 165.71 11.13 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.011 -0.54 . . . . 0.33000000000000002 111.178 -175.33 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 106' ' ' ASN . . . . . . . . . . . . . 62.4 m-80 -112.0 118.08 34.46 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.932 -0.576 . . . . 1.99 109.673 177.663 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 107' ' ' VAL . . . . . . . . . . . . . 55.9 t -109.13 128.26 65.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.299 -0.41 . . . . 0.33000000000000002 110.61 -177.218 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 108' ' ' ASN . . . . . . . . . . . . . 58.6 t30 -160.17 164.31 32.98 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.655 -0.498 . . . . 1.76 109.655 -178.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 109' ' ' LEU . . . . . . . . . . . . . 97.6 mt -75.03 143.81 43.35 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 120.675 0.274 . . . . 0.56999999999999995 110.627 178.181 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.5 -26.55 68.61 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.886 0.699 . . . . 0.66000000000000003 112.886 -173.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 111' ' ' TYR . . . . . . . . . . . . . 7.2 p90 . . . . . 0 C--N 1.33 -0.281 0 C-N-CA 120.388 -0.525 . . . . 1.25 110.392 -178.306 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 54.7 ttp . . . . . 0 C--O 1.232 0.151 0 CA-C-O 121.016 0.436 . . . . 1.3899999999999999 110.957 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' S' S ' 34' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -106.18 5.9 30.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.193 -0.458 . . . . 0.96999999999999997 111.727 -178.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 35' ' ' THR . . . . . 0.543 ' HB ' ' O ' ' S' ' 83' ' ' MET . 69.2 p -123.06 -17.0 6.84 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.318 0.58 . . . . 0.55000000000000004 110.365 -178.002 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 36' ' ' LYS . . . . . . . . . . . . . 49.7 tttm -87.22 104.06 16.02 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.217 -0.901 . . . . 1.95 109.673 178.224 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 37' ' ' ILE . . . . . 0.452 HG12 HD23 ' S' ' 109' ' ' LEU . 42.4 mt -96.7 143.73 11.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.576 -0.738 . . . . 0.40999999999999998 111.271 -177.104 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 38' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -100.61 129.02 46.48 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.013 -0.539 . . . . 0.45000000000000001 109.792 176.139 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 39' ' ' VAL . . . . . 0.595 HG13 HG22 ' S' ' 107' ' ' VAL . 21.7 t -122.3 101.45 9.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 109.916 -0.401 . . . . 0.20000000000000001 109.916 179.431 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 40' ' ' GLY . . . . . . . . . . . . . . . -108.72 167.52 13.12 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.492 -0.861 . . . . 0.27000000000000002 111.881 -178.714 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 41' ' ' GLY . . . . . . . . . . . . . . . 86.08 15.53 64.7 Favored Glycine 0 N--CA 1.453 -0.18 0 C-N-CA 120.819 -0.705 . . . . 0.48999999999999999 112.273 177.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 42' ' ' LEU . . . . . . . . . . . . . 97.1 mt -80.87 155.56 72.94 Favored Pre-proline 0 C--N 1.323 -0.549 0 N-CA-C 110.263 -0.273 . . . . 0.59999999999999998 110.263 -178.714 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 43' ' ' PRO . . . . . 0.705 ' HG3' ' HG2' ' S' ' 103' ' ' ARG . 6.7 Cg_exo -70.95 165.53 32.01 Favored 'Trans proline' 0 N--CA 1.455 -0.792 0 C-N-CA 122.301 2.001 . . . . 0.55000000000000004 111.4 172.739 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 44' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -78.95 -5.41 53.68 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.217 0.532 . . . . 2.4100000000000001 109.928 -178.705 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 45' ' ' HIS . . . . . . . . . . . . . 14.1 m80 -90.74 -11.99 37.93 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.039 -0.982 . . . . 2.3100000000000001 109.831 -176.723 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 46' ' ' THR . . . . . 0.581 ' OG1' ' HD2' ' S' ' 43' ' ' PRO . 43.3 m -78.72 117.03 19.47 Favored 'General case' 0 N--CA 1.44 -0.949 0 CA-C-N 115.958 -0.564 . . . . 0.53000000000000003 110.201 -173.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 47' ' ' SER . . . . . . . . . . . . . 6.3 m -94.33 169.46 10.21 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.218 -0.446 . . . . 0.68000000000000005 110.431 -178.426 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 48' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -56.0 -42.63 76.71 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.277 0.56 . . . . 1.29 109.951 178.377 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 49' ' ' LYS . . . . . . . . . . . . . 46.7 pttt -58.37 -35.52 72.1 Favored 'General case' 0 C--O 1.225 -0.216 0 CA-C-N 115.227 -0.897 . . . . 2.5 111.245 176.593 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 50' ' ' THR . . . . . . . . . . . . . 19.1 m -73.19 -44.16 60.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.413 -0.358 . . . . 0.42999999999999999 110.847 -175.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 51' ' ' LEU . . . . . 0.538 HD22 ' HA3' ' S' ' 79' ' ' GLY . 34.0 tp -58.51 -44.35 89.43 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 120.942 0.401 . . . . 0.46000000000000002 109.943 175.496 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 52' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -62.75 -51.99 64.96 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.842 -0.617 . . . . 0.55000000000000004 110.678 177.515 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 53' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -54.9 -41.63 71.18 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.679 -0.691 . . . . 2.2400000000000002 111.715 -176.128 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 54' ' ' TYR . . . . . 0.467 ' O ' ' HG2' ' S' ' 57' ' ' GLN . 87.1 t80 -70.26 -43.38 70.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.774 0.321 . . . . 0.55000000000000004 111.684 -177.73 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 55' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -83.53 -19.36 35.82 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 111.921 0.341 . . . . 0.5 111.921 -175.289 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 56' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -52.35 -27.78 16.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.87 -0.605 . . . . 1.47 111.643 177.615 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 57' ' ' GLN . . . . . 0.467 ' HG2' ' O ' ' S' ' 54' ' ' TYR . 16.4 mm-40 -61.34 -35.12 76.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.531 0.681 . . . . 2.98 110.586 -177.742 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 58' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -83.54 -33.69 25.42 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.32 -0.855 . . . . 0.65000000000000002 112.544 -173.208 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 59' ' ' GLY . . . . . . . . . . . . . . . 173.72 -175.02 46.39 Favored Glycine 0 C--O 1.229 -0.173 0 C-N-CA 119.914 -1.136 . . . . 0.44 113.041 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 60' ' ' ASP . . . . . 0.779 ' HB2' ' HG2' ' S' ' 84' ' ' LYS . 3.5 m-20 -67.67 141.48 56.67 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-O 120.821 0.343 . . . . 1.99 110.559 -178.558 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 61' ' ' ILE . . . . . 0.527 HG21 ' HB2' ' S' ' 64' ' ' ALA . 60.1 mt -120.66 128.85 76.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.805 -0.634 . . . . 0.42999999999999999 110.607 -178.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 62' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -79.11 -49.6 12.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.174 -0.466 . . . . 1.9099999999999999 110.078 177.238 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 63' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -146.05 127.37 14.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.866 -0.606 . . . . 1.8100000000000001 110.582 -177.532 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 64' ' ' ALA . . . . . 0.527 ' HB2' HG21 ' S' ' 61' ' ' ILE . . . -139.31 107.43 5.74 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.862 -0.422 . . . . 0.38 109.862 177.446 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 65' ' ' VAL . . . . . . . . . . . . . 29.9 m -136.87 149.86 26.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.137 -0.483 . . . . 0.35999999999999999 111.284 -177.007 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 66' ' ' VAL . . . . . . . . . . . . . 99.4 t -103.84 111.84 35.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 109.001 -0.74 . . . . 0.29999999999999999 109.001 174.583 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 67' ' ' ILE . . . . . . . . . . . . . 47.3 mm -69.06 128.18 32.12 Favored 'Isoleucine or valine' 0 C--O 1.238 0.499 0 CA-C-N 115.994 -0.548 . . . . 0.46999999999999997 112.076 -168.477 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 68' ' ' THR . . . . . . . . . . . . . 15.3 p -99.63 160.98 13.89 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.589 -0.732 . . . . 0.78000000000000003 109.803 174.806 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 69' ' ' ASP . . . . . 0.458 ' O ' ' HA ' ' S' ' 73' ' ' GLN . 23.9 t70 -84.88 150.24 25.12 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.962 -0.384 . . . . 1.75 109.962 178.454 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 70' ' ' ARG . . . . . . . . . . . . . 22.2 mtm180 -78.73 -32.58 46.86 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.933 -0.307 . . . . 4.0199999999999996 111.604 -175.4 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 71' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -86.96 -34.27 19.36 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.669 0.271 . . . . 2.6400000000000001 111.27 -174.557 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 72' ' ' THR . . . . . 0.436 ' OG1' ' HB3' ' S' ' 69' ' ' ASP . 60.1 p -99.25 -26.21 14.25 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.868 -0.333 . . . . 1.8400000000000001 111.235 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 73' ' ' GLN . . . . . 0.458 ' HA ' ' O ' ' S' ' 69' ' ' ASP . 15.9 mm-40 61.02 23.35 13.52 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.731 -0.668 . . . . 2.3500000000000001 111.633 -176.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 74' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -103.88 158.76 16.18 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.638 -0.71 . . . . 2.77 109.239 175.062 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 75' ' ' SER . . . . . . . . . . . . . 1.7 p -66.28 132.61 48.79 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.786 0.326 . . . . 1.51 110.825 179.158 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 76' ' ' ARG . . . . . 0.552 ' HD2' ' HE1' ' S' ' 78' ' ' TYR . 92.0 mtt180 -79.64 -17.38 53.9 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.284 -0.416 . . . . 2.54 110.583 -178.391 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 77' ' ' GLY . . . . . . . . . . . . . . . 97.53 30.7 7.13 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.91 -0.662 . . . . 0.53000000000000003 112.696 178.124 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 78' ' ' TYR . . . . . 0.552 ' HE1' ' HD2' ' S' ' 76' ' ' ARG . 19.0 p90 -161.06 156.93 25.31 Favored 'General case' 0 C--N 1.329 -0.318 0 O-C-N 122.574 -0.368 . . . . 0.59999999999999998 110.134 177.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 79' ' ' GLY . . . . . 0.538 ' HA3' HD22 ' S' ' 51' ' ' LEU . . . -142.29 171.08 24.78 Favored Glycine 0 N--CA 1.447 -0.577 0 CA-C-N 115.972 -0.558 . . . . 0.17000000000000001 112.172 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 80' ' ' PHE . . . . . 0.468 ' CE2' ' HE2' ' S' ' 78' ' ' TYR . 91.0 m-85 -120.25 135.72 54.9 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 110.393 -0.225 . . . . 0.39000000000000001 110.393 176.419 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 81' ' ' VAL . . . . . . . . . . . . . 58.8 t -120.65 107.91 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 109.924 -0.399 . . . . 0.23999999999999999 109.924 177.103 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 82' ' ' THR . . . . . . . . . . . . . 10.6 m -97.1 107.99 20.63 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 109.179 -0.674 . . . . 0.29999999999999999 109.179 177.054 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 83' ' ' MET . . . . . 0.69 ' SD ' ' HA ' ' S' ' 89' ' ' ALA . 52.6 mtp -91.41 162.1 14.72 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.956 -0.387 . . . . 0.71999999999999997 109.956 -178.276 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 84' ' ' LYS . . . . . 0.928 ' HD2' ' HB3' ' S' ' 85' ' ' ASP . 0.0 OUTLIER -72.02 -16.22 62.05 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 113.186 0.81 . . . . 2.21 113.186 -170.343 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' S' S ' 85' ' ' ASP . . . . . 0.928 ' HB3' ' HD2' ' S' ' 84' ' ' LYS . 0.0 OUTLIER -157.2 160.65 38.92 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.629 0.252 . . . . 1.8500000000000001 110.721 -177.954 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' S' S ' 86' ' ' ARG . . . . . 0.491 ' O ' ' HG3' ' S' ' 90' ' ' GLU . 17.9 ttp180 -65.67 -41.22 92.75 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.917 -0.583 . . . . 3.96 111.429 -175.49 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.18 -45.1 93.33 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 120.759 0.314 . . . . 0.62 111.076 -175.059 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 88' ' ' SER . . . . . . . . . . . . . 8.8 p -66.86 -38.74 86.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.88 110.651 176.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 89' ' ' ALA . . . . . 0.69 ' HA ' ' SD ' ' S' ' 83' ' ' MET . . . -60.07 -45.73 91.92 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 116.195 -0.457 . . . . 0.34999999999999998 110.751 177.074 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 90' ' ' GLU . . . . . 0.572 ' O ' ' HG2' ' S' ' 94' ' ' LYS . 52.0 mt-10 -65.86 -31.89 73.09 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 116.334 -0.394 . . . . 1.8500000000000001 110.31 178.474 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 91' ' ' ARG . . . . . . . . . . . . . 44.6 ttt180 -62.21 -32.42 73.08 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.709 -0.478 . . . . 2.9199999999999999 109.709 177.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 92' ' ' ALA . . . . . . . . . . . . . . . -84.32 -33.98 23.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.823 -0.626 . . . . 0.46999999999999997 110.425 177.211 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 93' ' ' CYS . . . . . . . . . . . . . 18.2 t -80.63 1.18 30.97 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.729 -0.668 . . . . 1.3500000000000001 111.084 -178.226 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 94' ' ' LYS . . . . . 0.572 ' HG2' ' O ' ' S' ' 90' ' ' GLU . 37.4 mmtm -67.29 -16.05 64.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.318 -0.401 . . . . 2.9500000000000002 111.457 175.538 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 95' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -122.03 96.38 46.73 Favored Pre-proline 0 C--N 1.324 -0.502 0 N-CA-C 109.363 -0.606 . . . . 2.1299999999999999 109.363 177.415 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 96' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -74.52 -29.7 8.84 Favored 'Trans proline' 0 N--CA 1.463 -0.286 0 C-N-CA 122.531 2.154 . . . . 0.76000000000000001 113.383 -174.285 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 97' ' ' ASN . . . . . 0.549 ' HA ' ' O ' ' S' ' 105' ' ' ALA . 93.3 m-20 -126.43 70.7 70.92 Favored Pre-proline 0 C--O 1.235 0.312 0 CA-C-O 120.781 0.324 . . . . 1.0800000000000001 111.344 -177.675 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 98' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_endo -85.4 165.23 10.9 Favored 'Trans proline' 0 N--CA 1.454 -0.822 0 C-N-CA 123.128 2.552 . . . . 0.53000000000000003 112.327 -178.438 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 99' ' ' ILE . . . . . . . . . . . . . 45.1 mm -96.91 102.89 14.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 N-CA-C 109.26 -0.645 . . . . 0.51000000000000001 109.26 175.69 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 100' ' ' ILE . . . . . . . . . . . . . 56.8 mt -118.54 115.61 48.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.366 -0.379 . . . . 0.56999999999999995 110.568 -175.206 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 101' ' ' ASP . . . . . 0.468 ' HB3' ' HG2' ' S' ' 43' ' ' PRO . 24.1 t0 63.78 20.52 12.26 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 115.46 -0.791 . . . . 1.3999999999999999 110.63 173.474 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 102' ' ' GLY . . . . . . . . . . . . . . . 107.76 -17.46 35.83 Favored Glycine 0 C--N 1.332 0.308 0 CA-C-N 115.688 -0.687 . . . . 0.81999999999999995 113.33 176.116 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 103' ' ' ARG . . . . . 0.705 ' HG2' ' HG3' ' S' ' 43' ' ' PRO . 27.0 mmm180 -108.47 148.24 30.5 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 117.12 0.46 . . . . 3.1099999999999999 111.211 -179.566 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 104' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm -80.58 113.64 18.91 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.029 -0.73 . . . . 1.98 109.029 171.702 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 105' ' ' ALA . . . . . 0.549 ' O ' ' HA ' ' S' ' 97' ' ' ASN . . . -93.61 165.41 12.74 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.587 -0.733 . . . . 0.33000000000000002 111.031 -174.533 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 106' ' ' ASN . . . . . . . . . . . . . 40.2 t-20 -117.85 108.75 15.71 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.524 -0.917 . . . . 1.99 108.524 174.426 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 107' ' ' VAL . . . . . 0.595 HG22 HG13 ' S' ' 39' ' ' VAL . 48.5 t -106.41 126.51 62.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.914 -0.584 . . . . 0.33000000000000002 110.088 -177.463 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 108' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -160.3 147.6 16.13 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.018 -0.537 . . . . 1.76 109.669 -177.086 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 109' ' ' LEU . . . . . 0.452 HD23 HG12 ' S' ' 37' ' ' ILE . 93.2 mt -57.38 135.15 56.52 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.843 0.354 . . . . 0.56999999999999995 110.633 -179.572 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 110' ' ' ALA . . . . . . . . . . . . . . . -68.13 -11.32 58.94 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 113.716 1.006 . . . . 0.66000000000000003 113.716 -167.45 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 111' ' ' TYR . . . . . . . . . . . . . 21.7 p90 . . . . . 0 C--N 1.327 -0.383 0 C-N-CA 120.028 -0.669 . . . . 1.25 110.07 177.052 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 60.6 mtm . . . . . 0 CA--C 1.526 0.051 0 CA-C-O 120.681 0.277 . . . . 1.3899999999999999 111.168 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' S' S ' 34' ' ' PHE . . . . . 0.485 ' HB2' ' HG2' ' S' ' 86' ' ' ARG . 29.9 m-85 -109.27 19.18 19.7 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.312 -0.404 . . . . 0.96999999999999997 111.39 -176.627 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 35' ' ' THR . . . . . 0.462 ' O ' ' HA ' ' S' ' 82' ' ' THR . 7.2 p -132.31 -36.66 1.12 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.68 0.276 . . . . 0.55000000000000004 111.086 178.811 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 36' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -83.97 103.48 13.26 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.398 0.618 . . . . 1.95 110.562 178.578 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 37' ' ' ILE . . . . . . . . . . . . . 55.3 mt -96.69 145.53 8.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.58 -0.736 . . . . 0.40999999999999998 110.84 -177.605 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 38' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -99.26 123.35 43.47 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.927 -0.579 . . . . 0.45000000000000001 109.789 176.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 39' ' ' VAL . . . . . . . . . . . . . 26.1 t -119.28 108.91 24.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 120.699 0.285 . . . . 0.20000000000000001 110.58 -179.125 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 40' ' ' GLY . . . . . . . . . . . . . . . -106.39 161.39 14.15 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 121.0 -0.619 . . . . 0.27000000000000002 111.693 179.504 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 41' ' ' GLY . . . . . . . . . . . . . . . 96.5 24.9 12.89 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.445 -0.884 . . . . 0.48999999999999999 112.227 177.465 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 42' ' ' LEU . . . . . 0.432 ' O ' ' HA2' ' S' ' 77' ' ' GLY . 90.4 mt -91.66 136.57 26.39 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-O 120.807 0.337 . . . . 0.59999999999999998 110.241 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 43' ' ' PRO . . . . . 0.434 ' HD2' ' OG1' ' S' ' 46' ' ' THR . 34.1 Cg_exo -60.42 163.09 15.8 Favored 'Trans proline' 0 CA--C 1.534 0.497 0 C-N-CA 122.77 2.313 . . . . 0.55000000000000004 112.215 173.396 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 44' ' ' TYR . . . . . 0.574 ' HA ' ' HB2' ' S' ' 75' ' ' SER . 23.8 m-85 -76.4 -13.85 60.1 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.898 -0.592 . . . . 2.4100000000000001 111.925 -172.074 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 45' ' ' HIS . . . . . . . . . . . . . 2.4 p80 -104.45 10.08 35.37 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.16 0.505 . . . . 2.3100000000000001 110.226 -179.629 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 46' ' ' THR . . . . . 0.531 HG23 ' HB ' ' S' ' 50' ' ' THR . 96.8 m -85.18 122.01 28.76 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.654 -0.703 . . . . 0.53000000000000003 110.045 178.841 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 47' ' ' SER . . . . . . . . . . . . . 6.3 m -103.75 175.53 5.45 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.172 -0.467 . . . . 0.68000000000000005 111.108 -176.003 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 48' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -50.93 -44.41 60.26 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.558 -0.747 . . . . 1.29 110.83 177.581 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 49' ' ' LYS . . . . . . . . . . . . . 7.2 ptpp? -60.91 -34.18 74.28 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.228 -0.896 . . . . 2.5 111.964 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 50' ' ' THR . . . . . 0.531 ' HB ' HG23 ' S' ' 46' ' ' THR . 3.8 m -71.51 -45.88 61.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.06 0.457 . . . . 0.42999999999999999 110.3 -178.355 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 51' ' ' LEU . . . . . . . . . . . . . 32.6 tp -62.3 -43.72 98.17 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.832 -0.622 . . . . 0.46000000000000002 110.551 176.65 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 52' ' ' HIS . . . . . . . . . . . . . 51.5 t-80 -61.46 -44.71 96.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.676 -0.693 . . . . 0.55000000000000004 110.402 178.461 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 53' ' ' GLU . . . . . . . . . . . . . 18.4 tp10 -49.04 -49.84 39.24 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.558 -0.747 . . . . 2.2400000000000002 111.446 178.539 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 54' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -69.16 -42.71 75.56 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.885 -0.598 . . . . 0.55000000000000004 111.753 -173.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 55' ' ' PHE . . . . . 0.599 ' HA ' ' HD2' ' S' ' 58' ' ' PHE . 47.6 m-85 -83.47 -20.64 33.64 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.639 0.607 . . . . 0.5 112.639 -173.7 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 56' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -65.88 -18.7 65.51 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 121.371 0.605 . . . . 1.47 109.745 176.372 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 57' ' ' GLN . . . . . . . . . . . . . 14.2 tp60 -66.71 -32.75 74.26 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.509 -0.769 . . . . 2.98 110.729 172.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 58' ' ' PHE . . . . . 0.599 ' HD2' ' HA ' ' S' ' 55' ' ' PHE . 98.1 m-85 -82.17 -36.66 27.14 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.604 -0.271 . . . . 0.65000000000000002 110.993 -178.021 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 59' ' ' GLY . . . . . . . . . . . . . . . 167.39 -168.2 40.37 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.584 -0.817 . . . . 0.44 112.794 178.752 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 60' ' ' ASP . . . . . 0.902 ' HB2' ' HB2' ' S' ' 84' ' ' LYS . 0.8 OUTLIER -61.18 143.87 54.74 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 123.009 0.524 . . . . 1.99 111.421 -179.022 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' S' S ' 61' ' ' ILE . . . . . 0.54 HG21 ' HB2' ' S' ' 64' ' ' ALA . 71.8 mt -124.36 138.96 52.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.301 -0.409 . . . . 0.42999999999999999 110.179 179.527 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 62' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -91.8 -41.67 10.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.889 0.376 . . . . 1.9099999999999999 111.384 177.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 63' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -156.44 115.74 3.48 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.237 -0.438 . . . . 1.8100000000000001 109.84 -174.254 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 64' ' ' ALA . . . . . 0.54 ' HB2' HG21 ' S' ' 61' ' ' ILE . . . -139.21 105.03 5.15 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.667 0.27 . . . . 0.38 111.248 -176.495 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 65' ' ' VAL . . . . . . . . . . . . . 33.5 m -137.1 144.81 31.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.393 -0.367 . . . . 0.35999999999999999 110.808 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 66' ' ' VAL . . . . . . . . . . . . . 86.4 t -89.19 125.55 42.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 108.829 -0.804 . . . . 0.29999999999999999 108.829 173.703 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 67' ' ' ILE . . . . . . . . . . . . . 46.0 mm -78.33 112.12 15.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.257 0.551 . . . . 0.46999999999999997 111.092 -172.599 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 68' ' ' THR . . . . . . . . . . . . . 32.3 p -92.38 156.83 16.96 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.56 -0.746 . . . . 0.78000000000000003 109.897 175.383 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 69' ' ' ASP . . . . . 0.513 ' HA ' ' HE ' ' S' ' 76' ' ' ARG . 14.6 t70 -79.12 145.84 33.52 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.121 -0.696 . . . . 1.75 109.121 175.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 70' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -77.96 -10.27 59.51 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.059 0.392 . . . . 4.0199999999999996 112.059 -172.276 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 71' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -88.73 -52.77 4.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.658 0.266 . . . . 2.6400000000000001 111.463 179.199 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 72' ' ' THR . . . . . . . . . . . . . 22.6 p -97.32 -19.28 18.63 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.193 0.442 . . . . 1.8400000000000001 112.193 -176.339 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 73' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 66.36 18.31 10.85 Favored 'General case' 0 N--CA 1.466 0.35 0 O-C-N 123.447 0.467 . . . . 2.3500000000000001 111.861 -177.782 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 74' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt -97.86 151.31 20.36 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.038 -0.528 . . . . 2.77 109.952 172.487 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 75' ' ' SER . . . . . 0.574 ' HB2' ' HA ' ' S' ' 44' ' ' TYR . 40.6 m -60.36 136.08 57.93 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.245 -0.434 . . . . 1.51 111.909 -175.831 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 76' ' ' ARG . . . . . 0.513 ' HE ' ' HA ' ' S' ' 69' ' ' ASP . 95.5 mtt180 -77.49 -11.79 59.89 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.01 0.433 . . . . 2.54 110.612 179.759 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 77' ' ' GLY . . . . . 0.432 ' HA2' ' O ' ' S' ' 42' ' ' LEU . . . 107.41 13.03 21.93 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.521 -0.847 . . . . 0.53000000000000003 112.958 178.691 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 78' ' ' TYR . . . . . . . . . . . . . 43.1 p90 -152.91 161.77 42.14 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.721 0.296 . . . . 0.59999999999999998 110.589 178.792 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 79' ' ' GLY . . . . . . . . . . . . . . . -146.17 165.91 28.11 Favored Glycine 0 N--CA 1.445 -0.757 0 N-CA-C 110.9 -0.88 . . . . 0.17000000000000001 110.9 177.336 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 80' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -114.64 136.17 53.34 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 117.0 0.4 . . . . 0.39000000000000001 110.656 178.269 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 81' ' ' VAL . . . . . . . . . . . . . 39.6 t -126.09 106.05 15.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.09 -0.505 . . . . 0.23999999999999999 110.865 178.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 82' ' ' THR . . . . . 0.462 ' HA ' ' O ' ' S' ' 35' ' ' THR . 35.3 m -89.57 106.13 18.25 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 108.734 -0.839 . . . . 0.29999999999999999 108.734 173.515 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 83' ' ' MET . . . . . 0.701 ' HG3' ' HA ' ' S' ' 89' ' ' ALA . 94.9 mmm -75.17 168.88 19.13 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.173 -0.467 . . . . 0.71999999999999997 110.466 -177.348 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 84' ' ' LYS . . . . . 0.902 ' HB2' ' HB2' ' S' ' 60' ' ' ASP . 13.4 tttp -53.35 -53.5 50.12 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 123.706 0.629 . . . . 2.21 111.881 -179.236 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 85' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -147.47 -178.51 6.28 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.522 -0.763 . . . . 1.8500000000000001 109.776 -177.371 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 86' ' ' ARG . . . . . 0.485 ' HG2' ' HB2' ' S' ' 34' ' ' PHE . 19.9 mtp180 -64.99 -34.75 79.17 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.011 -0.541 . . . . 3.96 111.723 -176.852 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 87' ' ' ALA . . . . . . . . . . . . . . . -71.46 -43.99 65.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.786 0.326 . . . . 0.62 110.368 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 88' ' ' SER . . . . . . . . . . . . . 29.4 m -60.54 -44.92 95.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.029 0.442 . . . . 0.88 110.075 175.385 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 89' ' ' ALA . . . . . 0.701 ' HA ' ' HG3' ' S' ' 83' ' ' MET . . . -56.63 -51.07 70.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.52 -0.764 . . . . 0.34999999999999998 111.486 176.644 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 90' ' ' GLU . . . . . 0.494 ' O ' ' HG2' ' S' ' 94' ' ' LYS . 8.0 mm-40 -54.88 -44.38 74.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.54 -0.3 . . . . 1.8500000000000001 111.579 178.744 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 91' ' ' ARG . . . . . . . . . . . . . 54.1 ttt180 -59.93 -33.57 72.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.676 0.274 . . . . 2.9199999999999999 110.809 -178.064 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 92' ' ' ALA . . . . . . . . . . . . . . . -79.64 -22.74 43.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.346 -0.388 . . . . 0.46999999999999997 111.105 178.673 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 93' ' ' CYS . . . . . . . . . . . . . 49.6 t -94.93 -2.26 50.89 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.261 -0.427 . . . . 1.3500000000000001 111.141 -176.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 94' ' ' LYS . . . . . 0.494 ' HG2' ' O ' ' S' ' 90' ' ' GLU . 31.7 mmmt -67.24 -18.4 65.21 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 111.616 0.228 . . . . 2.9500000000000002 111.616 179.473 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 95' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -118.65 118.63 33.34 Favored Pre-proline 0 C--N 1.326 -0.414 0 N-CA-C 109.756 -0.461 . . . . 2.1299999999999999 109.756 176.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 96' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -80.41 -29.96 2.2 Favored 'Trans proline' 0 C--O 1.237 0.436 0 C-N-CA 122.613 2.209 . . . . 0.76000000000000001 113.975 -173.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 97' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -129.27 80.88 71.54 Favored Pre-proline 0 N--CA 1.464 0.254 0 CA-C-O 120.759 0.314 . . . . 1.0800000000000001 111.477 -174.103 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 98' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_endo -89.22 158.83 5.66 Favored 'Trans proline' 0 N--CA 1.451 -0.979 0 C-N-CA 123.127 2.552 . . . . 0.53000000000000003 112.256 178.391 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 99' ' ' ILE . . . . . . . . . . . . . 46.4 mm -97.52 115.84 38.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 109.921 -0.4 . . . . 0.51000000000000001 109.921 175.64 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 100' ' ' ILE . . . . . . . . . . . . . 59.8 mt -121.59 119.02 57.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.576 -0.284 . . . . 0.56999999999999995 110.29 -179.45 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 101' ' ' ASP . . . . . . . . . . . . . 28.6 t70 64.49 15.55 9.66 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-O 121.782 0.801 . . . . 1.3999999999999999 110.971 175.514 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 102' ' ' GLY . . . . . . . . . . . . . . . 100.17 -2.92 56.67 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.845 -0.693 . . . . 0.81999999999999995 112.708 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 103' ' ' ARG . . . . . . . . . . . . . 46.0 ttt180 -111.19 145.15 39.19 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.875 -0.417 . . . . 3.1099999999999999 109.875 -179.522 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 104' ' ' LYS . . . . . . . . . . . . . 26.7 tttp -79.53 117.97 20.95 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.439 -0.578 . . . . 1.98 109.439 179.398 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 105' ' ' ALA . . . . . . . . . . . . . . . -101.33 165.5 11.24 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.608 0.718 . . . . 0.33000000000000002 112.665 -170.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 106' ' ' ASN . . . . . . . . . . . . . 15.4 m-20 -121.08 108.7 14.14 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.79 -1.095 . . . . 1.99 109.769 177.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 107' ' ' VAL . . . . . . . . . . . . . 61.2 t -101.54 127.94 54.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 109.527 -0.546 . . . . 0.33000000000000002 109.527 177.307 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 108' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -156.53 152.23 27.07 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 110.411 -0.218 . . . . 1.76 110.411 -176.391 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 109' ' ' LEU . . . . . 0.446 HD13 ' HE2' ' S' ' 111' ' ' TYR . 98.1 mt -74.87 132.24 41.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.916 0.388 . . . . 0.56999999999999995 110.273 178.801 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.29 -40.03 96.22 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 113.157 0.799 . . . . 0.66000000000000003 113.157 -170.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 111' ' ' TYR . . . . . 0.446 ' HE2' HD13 ' S' ' 109' ' ' LEU . 28.0 p90 . . . . . 0 CA--C 1.533 0.316 0 N-CA-C 111.735 0.272 . . . . 1.25 111.735 -172.809 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 27.1 ttt . . . . . 0 N--CA 1.456 -0.158 0 CA-C-O 121.069 0.462 . . . . 1.3899999999999999 110.484 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' S' S ' 34' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -103.43 11.42 36.52 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.06 -0.518 . . . . 0.96999999999999997 111.528 -176.39 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 35' ' ' THR . . . . . 0.447 ' O ' ' HA ' ' S' ' 82' ' ' THR . 8.2 p -122.23 -10.33 8.53 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.908 0.385 . . . . 0.55000000000000004 110.999 -177.093 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 36' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -100.05 117.65 34.77 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.015 -0.538 . . . . 1.95 110.818 -176.568 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 37' ' ' ILE . . . . . . . . . . . . . 65.8 mt -101.16 138.57 24.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.501 -0.772 . . . . 0.40999999999999998 110.768 -179.547 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 38' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -99.05 120.21 39.09 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.144 -0.687 . . . . 0.45000000000000001 109.144 175.58 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 39' ' ' VAL . . . . . 0.42 HG11 HD11 ' S' ' 51' ' ' LEU . 38.4 t -118.42 103.54 14.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.409 -0.36 . . . . 0.20000000000000001 110.472 -179.471 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 40' ' ' GLY . . . . . . . . . . . . . . . -108.89 152.3 17.02 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.442 -0.885 . . . . 0.27000000000000002 112.286 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 41' ' ' GLY . . . . . . . . . . . . . . . 104.18 33.39 4.0 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.785 -0.721 . . . . 0.48999999999999999 111.668 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 42' ' ' LEU . . . . . 0.576 ' O ' ' HA2' ' S' ' 77' ' ' GLY . 86.4 mt -106.32 131.94 21.31 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-O 120.687 0.279 . . . . 0.59999999999999998 111.001 -177.567 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 43' ' ' PRO . . . . . 0.497 ' HB2' ' CD2' ' S' ' 45' ' ' HIS . 19.5 Cg_exo -67.51 173.63 8.55 Favored 'Trans proline' 0 CA--C 1.532 0.405 0 C-N-CA 122.681 2.254 . . . . 0.55000000000000004 112.209 175.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 44' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -72.09 -23.77 61.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.173 -0.467 . . . . 2.4100000000000001 111.26 -173.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 45' ' ' HIS . . . . . 0.497 ' CD2' ' HB2' ' S' ' 43' ' ' PRO . 22.5 p80 -84.15 -3.24 58.0 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.16 -0.473 . . . . 2.3100000000000001 111.136 -177.655 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 46' ' ' THR . . . . . 0.451 ' OG1' ' HD2' ' S' ' 43' ' ' PRO . 65.1 m -89.47 109.8 20.69 Favored 'General case' 0 N--CA 1.443 -0.777 0 N-CA-C 109.442 -0.577 . . . . 0.53000000000000003 109.442 -178.798 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 47' ' ' SER . . . . . 0.549 ' HB2' ' HG2' ' S' ' 49' ' ' LYS . 8.8 m -99.33 175.53 5.84 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 115.883 -0.599 . . . . 0.68000000000000005 110.258 -175.805 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 48' ' ' ASP . . . . . 0.698 ' HB3' ' HA ' ' S' ' 65' ' ' VAL . 0.7 OUTLIER -53.13 -46.2 68.69 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.71 -0.677 . . . . 1.29 111.012 176.281 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' S' S ' 49' ' ' LYS . . . . . 0.549 ' HG2' ' HB2' ' S' ' 47' ' ' SER . 53.0 pttt -56.77 -35.25 68.46 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.165 -0.47 . . . . 2.5 111.847 176.575 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 50' ' ' THR . . . . . . . . . . . . . 14.6 m -71.69 -47.99 50.41 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.053 0.454 . . . . 0.42999999999999999 110.1 -178.353 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 51' ' ' LEU . . . . . 0.42 HD11 HG11 ' S' ' 39' ' ' VAL . 20.1 tp -64.53 -36.7 85.07 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.065 -0.516 . . . . 0.46000000000000002 109.908 177.533 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 52' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -61.98 -50.24 72.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.389 -0.823 . . . . 0.55000000000000004 110.9 178.328 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 53' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -54.74 -47.81 73.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.83 0.348 . . . . 2.2400000000000002 111.467 -179.183 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 54' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -63.57 -43.48 96.87 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.339 -0.391 . . . . 0.55000000000000004 111.644 -176.752 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 55' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -84.96 -21.34 29.6 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.29 0.478 . . . . 0.5 112.29 -175.034 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 56' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -65.12 -15.32 62.27 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.419 0.628 . . . . 1.47 110.427 179.651 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 57' ' ' GLN . . . . . . . . . . . . . 42.0 tp60 -61.56 -36.5 80.8 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.742 -0.663 . . . . 2.98 110.667 172.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 58' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -91.26 -4.39 56.0 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.045 0.387 . . . . 0.65000000000000002 112.045 -171.474 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 59' ' ' GLY . . . . . . . . . . . . . . . 150.15 -175.67 29.13 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.407 -0.901 . . . . 0.44 112.759 177.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 60' ' ' ASP . . . . . 0.628 ' HB2' ' HG2' ' S' ' 84' ' ' LYS . 9.4 m-20 -69.36 140.28 54.25 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 110.082 -0.34 . . . . 1.99 110.082 179.593 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 61' ' ' ILE . . . . . 0.607 HG21 ' HB2' ' S' ' 64' ' ' ALA . 65.8 mt -115.06 132.52 64.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 116.2 -0.455 . . . . 0.42999999999999999 110.29 178.647 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 62' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -87.78 -48.23 8.0 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.105 -0.498 . . . . 1.9099999999999999 110.639 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 63' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -142.11 116.41 9.53 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.268 -0.424 . . . . 1.8100000000000001 110.207 -176.782 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 64' ' ' ALA . . . . . 0.607 ' HB2' HG21 ' S' ' 61' ' ' ILE . . . -135.08 110.63 9.16 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 110.212 -0.292 . . . . 0.38 110.212 -179.633 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 65' ' ' VAL . . . . . 0.698 ' HA ' ' HB3' ' S' ' 48' ' ' ASP . 21.0 m -142.51 138.03 28.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.338 -0.392 . . . . 0.35999999999999999 111.076 -178.609 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 66' ' ' VAL . . . . . . . . . . . . . 96.4 t -90.31 119.47 37.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 108.088 -1.078 . . . . 0.29999999999999999 108.088 169.216 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 67' ' ' ILE . . . . . . . . . . . . . 48.8 mm -68.56 125.5 26.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.097 0.475 . . . . 0.46999999999999997 111.949 -168.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 68' ' ' THR . . . . . . . . . . . . . 1.9 p -99.95 146.77 26.31 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 115.734 -0.667 . . . . 0.78000000000000003 109.769 174.509 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 69' ' ' ASP . . . . . 0.464 ' O ' ' HA ' ' S' ' 73' ' ' GLN . 24.1 t70 -66.03 142.13 57.92 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.377 -0.374 . . . . 1.75 110.815 -179.605 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 70' ' ' ARG . . . . . . . . . . . . . 83.5 mtt180 -70.19 -25.4 63.41 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.545 -0.298 . . . . 4.0199999999999996 111.399 -176.438 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 71' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -93.62 -56.46 2.9 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.029 0.442 . . . . 2.6400000000000001 111.135 -174.103 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 72' ' ' THR . . . . . 0.441 ' HB ' ' HG2' ' S' ' 74' ' ' LYS . 42.7 p -91.83 -18.79 23.31 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.98 -0.554 . . . . 1.8400000000000001 111.658 -175.573 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 73' ' ' GLN . . . . . 0.464 ' HA ' ' O ' ' S' ' 69' ' ' ASP . 67.2 mm-40 63.64 23.58 13.6 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 115.968 -0.56 . . . . 2.3500000000000001 111.805 -177.77 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 74' ' ' LYS . . . . . 0.441 ' HG2' ' HB ' ' S' ' 72' ' ' THR . 29.4 mmtp -92.21 160.55 15.11 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.806 -0.813 . . . . 2.77 108.806 175.056 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 75' ' ' SER . . . . . . . . . . . . . 35.9 t -67.33 144.05 56.06 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.847 0.356 . . . . 1.51 110.426 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 76' ' ' ARG . . . . . . . . . . . . . 88.8 mtt180 -96.7 5.78 49.99 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.954 0.406 . . . . 2.54 111.385 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 77' ' ' GLY . . . . . 0.576 ' HA2' ' O ' ' S' ' 42' ' ' LEU . . . 84.21 18.75 62.07 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.733 -0.746 . . . . 0.53000000000000003 113.985 173.196 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 78' ' ' TYR . . . . . . . . . . . . . 43.1 p90 -159.29 161.25 35.86 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.937 0.399 . . . . 0.59999999999999998 110.524 178.205 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 79' ' ' GLY . . . . . . . . . . . . . . . -142.72 165.07 26.94 Favored Glycine 0 N--CA 1.444 -0.795 0 CA-C-N 115.957 -0.565 . . . . 0.17000000000000001 111.741 178.391 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 80' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -116.28 136.72 52.75 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 110.246 -0.279 . . . . 0.39000000000000001 110.246 179.584 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 81' ' ' VAL . . . . . . . . . . . . . 41.6 t -125.63 112.22 30.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.048 -0.524 . . . . 0.23999999999999999 110.475 179.315 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 82' ' ' THR . . . . . 0.447 ' HA ' ' O ' ' S' ' 35' ' ' THR . 11.9 m -99.66 113.36 25.76 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.142 -0.688 . . . . 0.29999999999999999 109.142 176.413 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 83' ' ' MET . . . . . 0.607 ' HG3' ' HA ' ' S' ' 89' ' ' ALA . 94.2 mmm -85.09 165.28 17.61 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.503 -0.317 . . . . 0.71999999999999997 110.949 -175.553 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 84' ' ' LYS . . . . . 0.628 ' HG2' ' HB2' ' S' ' 60' ' ' ASP . 0.0 OUTLIER -65.9 -22.43 66.51 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.931 -0.577 . . . . 2.21 111.653 -177.922 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' S' S ' 85' ' ' ASP . . . . . 0.415 ' HB3' ' HD3' ' S' ' 84' ' ' LYS . 0.3 OUTLIER -164.06 -178.44 5.6 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 110.241 -0.281 . . . . 1.8500000000000001 110.241 178.954 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' S' S ' 86' ' ' ARG . . . . . . . . . . . . . 51.8 mtp180 -67.31 -41.66 84.99 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.142 -0.481 . . . . 3.96 112.138 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.2 -41.82 98.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.868 0.366 . . . . 0.62 110.645 -175.813 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 88' ' ' SER . . . . . . . . . . . . . 18.3 m -63.96 -39.89 95.16 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.952 -0.567 . . . . 0.88 110.589 176.536 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 89' ' ' ALA . . . . . 0.607 ' HA ' ' HG3' ' S' ' 83' ' ' MET . . . -67.6 -47.79 68.67 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.277 -0.419 . . . . 0.34999999999999998 111.311 -179.699 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 90' ' ' GLU . . . . . 0.61 ' HA ' ' SG ' ' S' ' 93' ' ' CYS . 62.9 mt-10 -63.15 -39.79 95.7 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.225 -0.443 . . . . 1.8500000000000001 110.529 179.313 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 91' ' ' ARG . . . . . 0.406 ' HA ' ' HG3' ' S' ' 94' ' ' LYS . 34.1 ttm180 -58.11 -38.36 76.31 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.151 -0.477 . . . . 2.9199999999999999 110.717 178.809 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 92' ' ' ALA . . . . . . . . . . . . . . . -72.54 -40.53 66.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.965 -0.561 . . . . 0.46999999999999997 111.536 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 93' ' ' CYS . . . . . 0.61 ' SG ' ' HA ' ' S' ' 90' ' ' GLU . 18.4 p -91.1 14.2 14.76 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.958 0.355 . . . . 1.3500000000000001 111.958 -176.532 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 94' ' ' LYS . . . . . 0.406 ' HG3' ' HA ' ' S' ' 91' ' ' ARG . 76.1 mttt -61.25 -15.49 35.35 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.724 0.297 . . . . 2.9500000000000002 111.593 170.724 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 95' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -124.7 115.94 26.57 Favored Pre-proline 0 C--N 1.327 -0.388 0 N-CA-C 109.353 -0.61 . . . . 2.1299999999999999 109.353 176.645 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 96' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -69.95 -24.89 28.29 Favored 'Trans proline' 0 CA--C 1.531 0.347 0 C-N-CA 122.579 2.186 . . . . 0.76000000000000001 113.392 -174.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 97' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -129.21 83.19 66.42 Favored Pre-proline 0 C--O 1.234 0.253 0 N-CA-C 111.435 0.161 . . . . 1.0800000000000001 111.435 -176.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 98' ' ' PRO . . . . . 0.482 ' HG2' ' HB3' ' S' ' 105' ' ' ALA . 74.2 Cg_endo -77.61 139.56 18.14 Favored 'Trans proline' 0 N--CA 1.457 -0.662 0 C-N-CA 122.256 1.971 . . . . 0.53000000000000003 111.653 174.791 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 99' ' ' ILE . . . . . . . . . . . . . 50.9 mm -92.52 97.63 7.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 120.888 0.375 . . . . 0.51000000000000001 110.405 -179.259 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 100' ' ' ILE . . . . . . . . . . . . . 58.4 mt -111.5 122.95 66.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 109.256 -0.646 . . . . 0.56999999999999995 109.256 -179.594 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 101' ' ' ASP . . . . . . . . . . . . . 32.8 t70 64.41 14.58 8.93 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-O 121.937 0.875 . . . . 1.3999999999999999 110.43 -175.297 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 102' ' ' GLY . . . . . . . . . . . . . . . 85.25 1.62 88.2 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.404 -0.903 . . . . 0.81999999999999995 111.873 -176.291 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 103' ' ' ARG . . . . . . . . . . . . . 29.4 mmt180 -88.92 151.7 22.16 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-O 120.879 0.371 . . . . 3.1099999999999999 110.026 178.783 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 104' ' ' LYS . . . . . 0.443 ' HB2' ' HE3' ' S' ' 104' ' ' LYS . 30.4 ttmt -92.98 94.55 8.96 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.178 -0.675 . . . . 1.98 109.178 178.849 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 105' ' ' ALA . . . . . 0.482 ' HB3' ' HG2' ' S' ' 98' ' ' PRO . . . -85.78 161.73 19.02 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.74 -0.663 . . . . 0.33000000000000002 111.467 -173.578 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 106' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -119.26 114.17 21.99 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.598 -0.728 . . . . 1.99 109.359 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 107' ' ' VAL . . . . . . . . . . . . . 54.4 t -116.13 127.66 73.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.842 -0.617 . . . . 0.33000000000000002 111.019 -177.125 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 108' ' ' ASN . . . . . . . . . . . . . 30.1 p-10 -156.32 165.51 36.15 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.756 -0.656 . . . . 1.76 109.804 177.326 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 109' ' ' LEU . . . . . . . . . . . . . 95.3 mt -71.7 131.22 42.84 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.56 -0.533 . . . . 0.56999999999999995 109.56 175.462 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.95 -15.67 63.19 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 113.555 0.946 . . . . 0.66000000000000003 113.555 -167.594 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 111' ' ' TYR . . . . . . . . . . . . . 29.4 p90 . . . . . 0 C--N 1.329 -0.319 0 C-N-CA 120.636 -0.426 . . . . 1.25 110.503 -179.323 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 23.5 ttt . . . . . 0 CA--C 1.529 0.157 0 CA-C-O 120.825 0.345 . . . . 1.3899999999999999 111.34 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' S' S ' 34' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -105.54 7.59 32.98 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.982 0.364 . . . . 0.96999999999999997 111.982 -174.323 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' S' S ' 35' ' ' THR . . . . . 0.573 ' O ' ' HA ' ' S' ' 82' ' ' THR . 7.7 p -125.22 -4.98 7.31 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.951 0.405 . . . . 0.55000000000000004 110.911 178.101 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 36' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -87.0 99.36 11.84 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.819 -0.628 . . . . 1.95 110.149 -179.521 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' S' S ' 37' ' ' ILE . . . . . . . . . . . . . 62.7 mt -89.98 135.01 27.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.623 -0.717 . . . . 0.40999999999999998 110.595 -179.681 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' S' S ' 38' ' ' PHE . . . . . 0.442 ' HD1' ' CE1' ' S' ' 80' ' ' PHE . 72.8 t80 -102.73 106.32 16.92 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.593 -0.73 . . . . 0.45000000000000001 109.202 176.323 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 39' ' ' VAL . . . . . . . . . . . . . 21.5 t -101.48 102.49 13.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 110.036 -0.357 . . . . 0.20000000000000001 110.036 -179.555 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' S' S ' 40' ' ' GLY . . . . . 0.413 ' HA2' ' CB ' ' S' ' 78' ' ' TYR . . . -102.2 155.8 18.57 Favored Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.579 -0.82 . . . . 0.27000000000000002 112.461 -176.793 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 41' ' ' GLY . . . . . . . . . . . . . . . 99.43 21.22 15.34 Favored Glycine 0 N--CA 1.453 -0.193 0 C-N-CA 120.763 -0.732 . . . . 0.48999999999999999 112.154 178.569 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' S' S ' 42' ' ' LEU . . . . . 0.413 ' HA ' ' HD3' ' S' ' 43' ' ' PRO . 90.1 mt -91.82 134.72 28.5 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-O 120.866 0.365 . . . . 0.59999999999999998 111.144 -176.521 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 43' ' ' PRO . . . . . 0.571 ' HG3' ' HG3' ' S' ' 103' ' ' ARG . 35.5 Cg_exo -62.04 163.29 19.97 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.873 2.382 . . . . 0.55000000000000004 112.246 175.166 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 44' ' ' TYR . . . . . 0.418 ' HA ' ' HB3' ' S' ' 75' ' ' SER . 16.2 m-85 -69.95 -26.25 64.03 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.634 -0.712 . . . . 2.4100000000000001 111.556 -172.628 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 45' ' ' HIS . . . . . . . . . . . . . 4.5 p80 -89.56 0.0 57.21 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.052 0.454 . . . . 2.3100000000000001 110.667 -178.332 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' S' S ' 46' ' ' THR . . . . . 0.434 ' OG1' ' HD2' ' S' ' 43' ' ' PRO . 97.1 m -79.51 116.79 19.93 Favored 'General case' 0 N--CA 1.446 -0.633 0 N-CA-C 109.197 -0.668 . . . . 0.53000000000000003 109.197 176.37 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 47' ' ' SER . . . . . . . . . . . . . 43.5 m -108.76 -177.48 3.32 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 116.167 -0.47 . . . . 0.68000000000000005 111.168 -174.4 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' S' S ' 48' ' ' ASP . . . . . . . . . . . . . 21.3 p-10 -53.8 -52.12 61.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.744 -0.662 . . . . 1.29 110.401 177.841 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' S' S ' 49' ' ' LYS . . . . . . . . . . . . . 6.1 ptpp? -53.42 -41.09 65.69 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.17 -0.923 . . . . 2.5 111.737 178.009 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' S' S ' 50' ' ' THR . . . . . . . . . . . . . 2.9 m -63.47 -47.68 80.8 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-O 120.92 0.39 . . . . 0.42999999999999999 110.495 -177.599 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' S' S ' 51' ' ' LEU . . . . . . . . . . . . . 15.8 tp -74.73 -35.87 62.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.018 -0.537 . . . . 0.46000000000000002 110.923 -178.214 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' S' S ' 52' ' ' HIS . . . . . . . . . . . . . 52.8 t-80 -61.45 -49.73 75.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.398 -0.365 . . . . 0.55000000000000004 110.298 177.62 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' S' S ' 53' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -57.95 -40.74 81.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.962 -0.563 . . . . 2.2400000000000002 110.07 179.49 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' S' S ' 54' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -66.45 -42.49 87.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.82 -0.627 . . . . 0.55000000000000004 111.096 -178.281 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' S' S ' 55' ' ' PHE . . . . . 0.417 ' CD1' HG11 ' S' ' 81' ' ' VAL . 6.2 m-85 -85.05 -20.31 30.61 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 112.655 0.613 . . . . 0.5 112.655 -174.723 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 56' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -61.87 -18.71 61.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.118 0.485 . . . . 1.47 110.283 176.072 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' S' S ' 57' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -71.18 -12.94 61.75 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.004 -0.544 . . . . 2.98 110.101 178.638 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' S' S ' 58' ' ' PHE . . . . . 0.448 ' O ' ' HD3' ' S' ' 91' ' ' ARG . 66.5 m-85 -106.68 1.95 25.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.956 -0.566 . . . . 0.65000000000000002 111.003 -179.191 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 59' ' ' GLY . . . . . . . . . . . . . . . 134.38 -159.33 23.79 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.32 -0.943 . . . . 0.44 113.03 177.371 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' S' S ' 60' ' ' ASP . . . . . 0.698 ' HB3' ' HD2' ' S' ' 84' ' ' LYS . 24.4 t70 -92.98 141.16 28.7 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.925 0.393 . . . . 1.99 110.733 -175.635 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 61' ' ' ILE . . . . . 0.418 HG12 ' SD ' ' S' ' 83' ' ' MET . 22.2 mt -121.54 148.89 24.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.938 -0.573 . . . . 0.42999999999999999 110.788 -169.813 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 62' ' ' GLU . . . . . 0.527 ' HG3' ' HA ' ' S' ' 84' ' ' LYS . 31.8 mt-10 -81.28 -47.13 13.75 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 109.964 -0.384 . . . . 1.9099999999999999 109.964 174.134 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 63' ' ' GLU . . . . . . . . . . . . . 77.1 tt0 -169.07 138.85 2.19 Favored 'General case' 0 C--N 1.334 -0.088 0 CA-C-N 116.419 -0.355 . . . . 1.8100000000000001 110.449 175.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' S' S ' 64' ' ' ALA . . . . . 0.452 ' HB2' HG13 ' S' ' 81' ' ' VAL . . . -137.14 115.11 11.48 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 110.016 -0.364 . . . . 0.38 110.016 178.671 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 65' ' ' VAL . . . . . . . . . . . . . 27.8 m -138.9 138.71 41.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.084 0.469 . . . . 0.35999999999999999 111.986 -176.173 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' S' S ' 66' ' ' VAL . . . . . . . . . . . . . 91.0 t -88.47 120.99 38.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 108.639 -0.874 . . . . 0.29999999999999999 108.639 169.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' S' S ' 67' ' ' ILE . . . . . 0.459 ' HB ' ' HG3' ' S' ' 76' ' ' ARG . 50.6 mm -69.59 122.25 20.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.251 -0.431 . . . . 0.46999999999999997 111.565 -172.019 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 68' ' ' THR . . . . . . . . . . . . . 20.0 p -111.13 145.73 38.08 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.602 -0.727 . . . . 0.78000000000000003 110.325 176.147 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' S' S ' 69' ' ' ASP . . . . . 0.628 ' O ' ' HA ' ' S' ' 73' ' ' GLN . 56.8 m-20 -76.01 149.26 37.6 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.26 -0.427 . . . . 1.75 111.08 179.427 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 70' ' ' ARG . . . . . . . . . . . . . 91.2 mtt180 -80.51 -39.32 28.11 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.131 0.491 . . . . 4.0199999999999996 110.539 178.744 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' S' S ' 71' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -82.78 -56.71 3.67 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.549 -0.75 . . . . 2.6400000000000001 111.223 -176.091 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' S' S ' 72' ' ' THR . . . . . . . . . . . . . 1.5 p -89.09 -7.84 55.01 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.928 -0.578 . . . . 1.8400000000000001 112.138 -176.028 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' S' S ' 73' ' ' GLN . . . . . 0.628 ' HA ' ' O ' ' S' ' 69' ' ' ASP . 18.8 pt20 45.39 33.59 1.31 Allowed 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.068 0.947 . . . . 2.3500000000000001 112.235 -178.49 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 74' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -94.75 165.34 12.54 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.117 -0.492 . . . . 2.77 110.079 178.589 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' S' S ' 75' ' ' SER . . . . . 0.418 ' HB3' ' HA ' ' S' ' 44' ' ' TYR . 44.8 t -90.4 146.54 24.08 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.601 -0.518 . . . . 1.51 109.601 174.664 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 76' ' ' ARG . . . . . 0.459 ' HG3' ' HB ' ' S' ' 67' ' ' ILE . 5.3 mmp_? -76.21 -9.65 58.8 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.346 -0.388 . . . . 2.54 110.842 179.356 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 77' ' ' GLY . . . . . . . . . . . . . . . 80.55 20.47 66.25 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.642 -0.79 . . . . 0.53000000000000003 111.63 -177.64 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' S' S ' 78' ' ' TYR . . . . . 0.419 ' CE1' ' HB3' ' S' ' 76' ' ' ARG . 11.9 p90 -165.31 163.62 19.95 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.396 -0.594 . . . . 0.59999999999999998 109.396 178.122 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 79' ' ' GLY . . . . . . . . . . . . . . . -138.29 163.96 25.66 Favored Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 111.204 -0.759 . . . . 0.17000000000000001 111.204 177.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' S' S ' 80' ' ' PHE . . . . . 0.442 ' CE1' ' HD1' ' S' ' 38' ' ' PHE . 90.1 m-85 -113.2 134.82 54.39 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.858 -0.423 . . . . 0.39000000000000001 109.858 178.876 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 81' ' ' VAL . . . . . 0.452 HG13 ' HB2' ' S' ' 64' ' ' ALA . 50.6 t -124.55 115.8 45.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 115.904 -0.589 . . . . 0.23999999999999999 109.884 178.221 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 82' ' ' THR . . . . . 0.573 ' HA ' ' O ' ' S' ' 35' ' ' THR . 11.7 m -99.89 102.35 13.72 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 108.895 -0.78 . . . . 0.29999999999999999 108.895 176.61 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 83' ' ' MET . . . . . 0.638 ' HG3' ' HA ' ' S' ' 89' ' ' ALA . 98.7 mmm -75.63 159.03 31.62 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.19 -0.459 . . . . 0.71999999999999997 109.967 -179.436 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 84' ' ' LYS . . . . . 0.698 ' HD2' ' HB3' ' S' ' 60' ' ' ASP . 14.8 ptmt -59.19 -32.25 69.75 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.437 0.532 . . . . 2.21 112.437 -173.731 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 85' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -167.73 -173.04 2.03 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 109.729 -0.471 . . . . 1.8500000000000001 109.729 178.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' S' S ' 86' ' ' ARG . . . . . . . . . . . . . 51.0 mmt-85 -63.1 -46.71 86.09 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.76 0.314 . . . . 3.96 110.975 -172.234 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' S' S ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.99 77.29 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.947 -0.57 . . . . 0.62 112.033 -175.216 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' S' S ' 88' ' ' SER . . . . . . . . . . . . . 13.9 m -67.22 -39.7 86.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.949 0.404 . . . . 0.88 110.535 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' S' S ' 89' ' ' ALA . . . . . 0.638 ' HA ' ' HG3' ' S' ' 83' ' ' MET . . . -58.94 -46.01 89.05 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.816 -0.629 . . . . 0.34999999999999998 110.917 177.406 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 90' ' ' GLU . . . . . 0.603 ' HB3' ' HE2' ' S' ' 94' ' ' LYS . 29.7 mt-10 -55.14 -49.01 72.87 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-N 116.539 -0.301 . . . . 1.8500000000000001 111.192 177.524 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 91' ' ' ARG . . . . . 0.448 ' HD3' ' O ' ' S' ' 58' ' ' PHE . 78.1 ttt180 -56.7 -34.85 67.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.304 -0.407 . . . . 2.9199999999999999 111.09 -177.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 92' ' ' ALA . . . . . . . . . . . . . . . -80.05 -20.5 45.1 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.963 -0.562 . . . . 0.46999999999999997 111.411 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' S' S ' 93' ' ' CYS . . . . . . . . . . . . . 64.4 m -103.9 2.22 32.27 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.058 0.392 . . . . 1.3500000000000001 112.058 -176.451 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' S' S ' 94' ' ' LYS . . . . . 0.603 ' HE2' ' HB3' ' S' ' 90' ' ' GLU . 73.3 mmtt -62.98 -33.49 75.51 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.657 0.265 . . . . 2.9500000000000002 111.068 179.149 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 95' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -99.83 109.33 55.42 Favored Pre-proline 0 C--N 1.328 -0.353 0 N-CA-C 109.738 -0.467 . . . . 2.1299999999999999 109.738 173.725 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' S' S ' 96' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -69.62 -39.86 6.26 Favored 'Trans proline' 0 C--O 1.234 0.292 0 C-N-CA 122.672 2.248 . . . . 0.76000000000000001 113.261 -174.544 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' S' S ' 97' ' ' ASN . . . . . 0.451 ' HA ' ' O ' ' S' ' 105' ' ' ALA . 93.9 m-20 -124.97 80.28 63.98 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 120.761 0.315 . . . . 1.0800000000000001 111.029 -178.575 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 98' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -83.86 152.18 12.92 Favored 'Trans proline' 0 N--CA 1.454 -0.823 0 C-N-CA 122.836 2.358 . . . . 0.53000000000000003 112.043 177.839 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' S' S ' 99' ' ' ILE . . . . . . . . . . . . . 49.1 mm -87.85 109.68 19.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 109.794 -0.447 . . . . 0.51000000000000001 109.794 177.757 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' S' S ' 100' ' ' ILE . . . . . . . . . . . . . 51.3 mt -116.88 120.27 64.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 109.642 -0.503 . . . . 0.56999999999999995 109.642 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' S' S ' 101' ' ' ASP . . . . . 0.401 ' OD2' ' HG2' ' S' ' 43' ' ' PRO . 27.3 t70 64.93 15.68 10.07 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 121.967 0.889 . . . . 1.3999999999999999 110.672 178.34 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 102' ' ' GLY . . . . . . . . . . . . . . . 93.98 4.18 63.39 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.75 -0.738 . . . . 0.81999999999999995 112.683 -179.281 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' S' S ' 103' ' ' ARG . . . . . 0.571 ' HG3' ' HG3' ' S' ' 43' ' ' PRO . 2.9 mmp_? -111.59 151.95 28.16 Favored 'General case' 0 N--CA 1.448 -0.535 0 O-C-N 122.509 -0.406 . . . . 3.1099999999999999 110.822 179.184 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 104' ' ' LYS . . . . . . . . . . . . . 13.7 ttmm -85.0 99.08 10.77 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.624 -0.51 . . . . 1.98 109.624 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' S' S ' 105' ' ' ALA . . . . . 0.451 ' O ' ' HA ' ' S' ' 97' ' ' ASN . . . -86.43 162.81 17.94 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.189 0.518 . . . . 0.33000000000000002 111.3 -174.715 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 106' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -119.13 113.13 20.43 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.706 -0.679 . . . . 1.99 109.488 178.589 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' S' S ' 107' ' ' VAL . . . . . . . . . . . . . 61.9 t -105.78 126.76 61.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 109.666 -0.494 . . . . 0.33000000000000002 109.666 179.159 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' S' S ' 108' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -165.1 158.9 17.18 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.231 -0.441 . . . . 1.76 110.033 -178.785 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' S' S ' 109' ' ' LEU . . . . . 0.518 HD13 ' HE2' ' S' ' 111' ' ' TYR . 97.0 mt -76.43 134.53 39.56 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.66 0.267 . . . . 0.56999999999999995 110.407 -179.717 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 110' ' ' ALA . . . . . . . . . . . . . . . -57.25 -36.71 71.29 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 113.244 0.831 . . . . 0.66000000000000003 113.244 -171.613 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' S' S ' 111' ' ' TYR . . . . . 0.518 ' HE2' HD13 ' S' ' 109' ' ' LEU . 26.9 p90 . . . . . 0 C--N 1.327 -0.381 0 CA-C-O 120.833 0.349 . . . . 1.25 111.557 -175.648 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' S' S ' 33' ' ' MET . . . . . 0.467 ' HB2' ' HB2' ' S' ' 111' ' ' TYR . 20.4 ptt? . . . . . 0 CA--C 1.532 0.265 0 CA-C-O 120.701 0.286 . . . . 1.3899999999999999 111.623 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' S' S ' 34' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -103.42 -2.38 27.02 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.016 0.376 . . . . 0.96999999999999997 112.016 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' S' S ' 35' ' ' THR . . . . . . . . . . . . . 11.8 p -127.13 -7.51 5.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.956 0.408 . . . . 0.55000000000000004 111.389 -177.619 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' S' S ' 36' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -89.22 98.55 11.83 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.962 -0.563 . . . . 1.95 110.169 179.428 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' S' S ' 37' ' ' ILE . . . . . . . . . . . . . 65.5 mt -90.22 131.67 36.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.603 -0.726 . . . . 0.40999999999999998 110.898 -177.632 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' S' S ' 38' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -99.57 117.92 35.0 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.643 -0.708 . . . . 0.45000000000000001 109.714 178.26 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' S' S ' 39' ' ' VAL . . . . . 0.451 HG21 HD11 ' S' ' 51' ' ' LEU . 19.5 t -110.1 98.67 7.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 116.199 -0.455 . . . . 0.20000000000000001 109.781 179.098 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 40' ' ' GLY . . . . . . . . . . . . . . . -100.39 152.89 19.27 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.601 -0.809 . . . . 0.27000000000000002 111.835 -179.068 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' S' S ' 41' ' ' GLY . . . . . . . . . . . . . . . 98.25 15.32 35.93 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.553 -0.832 . . . . 0.48999999999999999 111.91 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' S' S ' 42' ' ' LEU . . . . . 0.576 HD11 HD13 ' S' ' 51' ' ' LEU . 65.6 mt -77.73 133.65 66.17 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-O 120.514 0.197 . . . . 0.59999999999999998 110.599 -179.607 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 43' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' S' ' 42' ' ' LEU . 52.2 Cg_exo -53.99 155.77 14.18 Favored 'Trans proline' 0 N--CA 1.462 -0.36 0 C-N-CA 122.834 2.356 . . . . 0.55000000000000004 112.546 177.019 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 44' ' ' TYR . . . . . 0.866 ' HA ' ' HB3' ' S' ' 75' ' ' SER . 13.4 m-85 -79.43 2.06 23.19 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.636 -0.711 . . . . 2.4100000000000001 111.436 -171.678 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 45' ' ' HIS . . . . . . . . . . . . . 4.3 p80 -117.49 4.88 12.44 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.109 0.481 . . . . 2.3100000000000001 109.908 178.016 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' S' S ' 46' ' ' THR . . . . . 0.424 HG23 ' HB ' ' S' ' 50' ' ' THR . 91.0 m -77.82 126.43 30.85 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.953 -0.567 . . . . 0.53000000000000003 110.882 -178.41 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 47' ' ' SER . . . . . 0.525 ' HB2' ' HG2' ' S' ' 49' ' ' LYS . 5.1 m -97.57 168.18 10.52 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.104 -0.498 . . . . 0.68000000000000005 110.436 -178.847 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 48' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -55.62 -39.63 71.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.067 -0.515 . . . . 1.29 110.873 178.463 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' S' S ' 49' ' ' LYS . . . . . 0.525 ' HG2' ' HB2' ' S' ' 47' ' ' SER . 14.1 ptmt -60.21 -28.38 67.94 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.638 -0.71 . . . . 2.5 111.528 179.626 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 50' ' ' THR . . . . . 0.424 ' HB ' HG23 ' S' ' 46' ' ' THR . 15.1 m -77.8 -44.24 28.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.966 0.412 . . . . 0.42999999999999999 110.132 -179.435 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 51' ' ' LEU . . . . . 0.576 HD13 HD11 ' S' ' 42' ' ' LEU . 36.4 tp -59.71 -41.93 91.92 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.586 0.708 . . . . 0.46000000000000002 109.564 174.246 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 52' ' ' HIS . . . . . . . . . . . . . 30.7 t-80 -63.71 -45.35 90.35 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.06 -0.973 . . . . 0.55000000000000004 110.925 176.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' S' S ' 53' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -46.81 -49.44 19.97 Favored 'General case' 0 N--CA 1.467 0.38 0 O-C-N 123.789 0.681 . . . . 2.2400000000000002 111.619 179.489 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' S' S ' 54' ' ' TYR . . . . . . . . . . . . . 45.8 t80 -76.67 -40.88 47.59 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.224 -0.444 . . . . 0.55000000000000004 111.838 -174.398 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' S' S ' 55' ' ' PHE . . . . . . . . . . . . . 41.4 m-85 -86.42 -22.73 26.38 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 114.355 1.243 . . . . 0.5 114.355 -169.393 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' S' S ' 56' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -65.23 -16.7 63.82 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 121.796 0.808 . . . . 1.47 109.666 179.605 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' S' S ' 57' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -60.58 -23.97 65.09 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.995 -1.002 . . . . 2.98 111.49 175.666 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' S' S ' 58' ' ' PHE . . . . . 0.419 ' HB3' ' HB2' ' S' ' 91' ' ' ARG . 54.5 m-85 -99.78 1.41 43.13 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.183 -0.462 . . . . 0.65000000000000002 111.683 -175.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 59' ' ' GLY . . . . . . . . . . . . . . . 138.53 173.92 13.2 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.975 -0.631 . . . . 0.44 111.876 178.31 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' S' S ' 60' ' ' ASP . . . . . 0.408 ' HB2' ' CE ' ' S' ' 84' ' ' LYS . 26.1 m-20 -63.89 135.61 56.69 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 120.935 0.397 . . . . 1.99 110.482 178.808 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 61' ' ' ILE . . . . . 0.688 HG21 ' HB2' ' S' ' 64' ' ' ALA . 66.9 mt -107.07 134.6 48.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.707 -0.679 . . . . 0.42999999999999999 110.438 -178.48 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 62' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -83.85 -40.39 18.71 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.619 0.247 . . . . 1.9099999999999999 110.638 178.088 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' S' S ' 63' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -147.5 121.22 9.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.313 -0.403 . . . . 1.8100000000000001 110.885 179.212 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' S' S ' 64' ' ' ALA . . . . . 0.688 ' HB2' HG21 ' S' ' 61' ' ' ILE . . . -139.59 100.82 4.07 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.482 -0.326 . . . . 0.38 110.283 175.758 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 65' ' ' VAL . . . . . . . . . . . . . 35.0 m -137.09 148.36 26.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.275 -0.42 . . . . 0.35999999999999999 111.33 -177.399 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' S' S ' 66' ' ' VAL . . . . . . . . . . . . . 40.9 t -99.33 114.08 36.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 108.62 -0.881 . . . . 0.29999999999999999 108.62 173.418 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' S' S ' 67' ' ' ILE . . . . . 0.4 HG22 ' HD3' ' S' ' 76' ' ' ARG . 34.4 mm -69.87 128.74 33.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.677 0.275 . . . . 0.46999999999999997 110.681 -173.528 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 68' ' ' THR . . . . . . . . . . . . . 19.9 p -96.5 157.36 15.93 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 116.051 -0.522 . . . . 0.78000000000000003 110.607 -179.328 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' S' S ' 69' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.63 151.89 30.32 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.745 -0.465 . . . . 1.75 109.745 178.826 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 70' ' ' ARG . . . . . . . . . . . . . 65.1 mtt180 -80.54 -6.59 58.46 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.41 0.522 . . . . 4.0199999999999996 112.41 -174.353 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' S' S ' 71' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -92.51 -56.64 2.95 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.699 -0.228 . . . . 2.6400000000000001 110.91 -177.361 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' S' S ' 72' ' ' THR . . . . . . . . . . . . . 33.8 p -112.35 -4.29 14.32 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.652 0.612 . . . . 1.8400000000000001 112.652 -175.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' S' S ' 73' ' ' GLN . . . . . . . . . . . . . 75.1 mm-40 61.37 38.89 15.86 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.019 0.438 . . . . 2.3500000000000001 111.246 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' S' S ' 74' ' ' LYS . . . . . . . . . . . . . 57.2 mttp -109.4 170.53 8.0 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.079 -0.51 . . . . 2.77 109.886 174.227 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' S' S ' 75' ' ' SER . . . . . 0.866 ' HB3' ' HA ' ' S' ' 44' ' ' TYR . 41.2 t -61.31 139.63 58.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.922 0.391 . . . . 1.51 111.358 -177.606 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 76' ' ' ARG . . . . . 0.4 ' HD3' HG22 ' S' ' 67' ' ' ILE . 24.3 mtp180 -88.81 7.5 33.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.807 -0.633 . . . . 2.54 110.496 175.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 77' ' ' GLY . . . . . . . . . . . . . . . 90.13 13.42 60.46 Favored Glycine 0 N--CA 1.45 -0.397 0 CA-C-N 115.9 -0.591 . . . . 0.53000000000000003 113.18 173.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' S' S ' 78' ' ' TYR . . . . . . . . . . . . . 36.5 p90 -162.34 163.81 27.72 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.179 0.514 . . . . 0.59999999999999998 111.378 179.3 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' S' S ' 79' ' ' GLY . . . . . . . . . . . . . . . -145.0 166.42 27.5 Favored Glycine 0 N--CA 1.443 -0.861 0 N-CA-C 111.086 -0.805 . . . . 0.17000000000000001 111.086 177.187 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' S' S ' 80' ' ' PHE . . . . . 0.404 ' O ' ' HA ' ' S' ' 64' ' ' ALA . 77.9 m-85 -118.97 136.61 54.01 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 117.003 0.402 . . . . 0.39000000000000001 110.686 -178.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 81' ' ' VAL . . . . . . . . . . . . . 21.5 t -124.4 118.43 53.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.229 -0.441 . . . . 0.23999999999999999 110.444 178.385 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' S' S ' 82' ' ' THR . . . . . . . . . . . . . 11.9 m -105.76 115.01 29.51 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 109.533 -0.543 . . . . 0.29999999999999999 109.533 177.46 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' S' S ' 83' ' ' MET . . . . . 0.424 ' SD ' HG12 ' S' ' 61' ' ' ILE . 92.7 mmm -90.37 173.74 7.95 Favored 'General case' 0 C--N 1.331 -0.201 0 O-C-N 123.706 0.628 . . . . 0.71999999999999997 111.277 -175.688 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 84' ' ' LYS . . . . . 0.408 ' CE ' ' HB2' ' S' ' 60' ' ' ASP . 19.3 ptpt -70.36 -37.18 74.56 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.862 -0.608 . . . . 2.21 111.742 -176.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 85' ' ' ASP . . . . . . . . . . . . . 22.0 p30 -152.62 -176.61 5.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.44 -0.345 . . . . 1.8500000000000001 110.89 -175.577 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' S' S ' 86' ' ' ARG . . . . . 0.696 HH12 HD11 ' S' ' 109' ' ' LEU . 28.0 tpt180 -65.32 -43.55 90.66 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.281 -0.418 . . . . 3.96 111.146 179.24 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 87' ' ' ALA . . . . . 0.406 ' O ' ' HG3' ' S' ' 91' ' ' ARG . . . -58.21 -48.27 80.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.856 0.36 . . . . 0.62 111.412 -176.054 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 88' ' ' SER . . . . . . . . . . . . . 6.3 p -63.7 -38.31 90.63 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.311 -0.404 . . . . 0.88 110.926 178.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' S' S ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.9 -44.57 96.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.032 -0.531 . . . . 0.34999999999999998 110.835 177.693 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' S' S ' 90' ' ' GLU . . . . . 0.685 ' HA ' ' SG ' ' S' ' 93' ' ' CYS . 59.4 mt-10 -65.74 -33.93 77.02 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.254 -0.43 . . . . 1.8500000000000001 110.853 -178.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 91' ' ' ARG . . . . . 0.437 HH11 ' HD2' ' S' ' 91' ' ' ARG . 69.7 mtt180 -60.56 -38.04 83.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.923 0.392 . . . . 2.9199999999999999 110.529 175.379 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 92' ' ' ALA . . . . . . . . . . . . . . . -77.0 -41.91 40.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.871 -0.604 . . . . 0.46999999999999997 111.395 -178.198 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' S' S ' 93' ' ' CYS . . . . . 0.685 ' SG ' ' HA ' ' S' ' 90' ' ' GLU . 29.0 p -88.35 12.05 15.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.926 0.393 . . . . 1.3500000000000001 110.839 178.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 94' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.51 -47.85 78.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.685 -0.689 . . . . 2.9500000000000002 109.652 175.724 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 95' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -111.49 113.15 53.75 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-N 115.797 -0.638 . . . . 2.1299999999999999 109.87 -179.092 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' S' S ' 96' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.53 -28.34 45.5 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.936 2.424 . . . . 0.76000000000000001 113.524 -173.767 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' S' S ' 97' ' ' ASN . . . . . 0.404 HD22 ' HA ' ' S' ' 97' ' ' ASN . 7.6 m120 -131.12 79.07 71.71 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 120.845 0.355 . . . . 1.0800000000000001 111.501 -175.25 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 98' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -89.92 167.92 4.66 Favored 'Trans proline' 0 N--CA 1.453 -0.858 0 C-N-CA 122.791 2.327 . . . . 0.53000000000000003 112.477 177.755 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' S' S ' 99' ' ' ILE . . . . . . . . . . . . . 50.8 mm -100.78 100.98 11.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.974 0.416 . . . . 0.51000000000000001 110.084 179.569 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' S' S ' 100' ' ' ILE . . . . . . . . . . . . . 48.1 mt -109.84 123.55 65.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.094 -0.503 . . . . 0.56999999999999995 109.856 -179.264 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' S' S ' 101' ' ' ASP . . . . . . . . . . . . . 30.2 t70 64.17 14.43 8.6 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 121.507 0.67 . . . . 1.3999999999999999 110.897 178.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' S' S ' 102' ' ' GLY . . . . . . . . . . . . . . . 100.41 -4.55 56.89 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.829 -0.701 . . . . 0.81999999999999995 113.131 177.464 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' S' S ' 103' ' ' ARG . . . . . . . . . . . . . 9.2 mmt180 -116.95 157.33 25.92 Favored 'General case' 0 N--CA 1.452 -0.368 0 O-C-N 122.63 -0.335 . . . . 3.1099999999999999 110.54 179.195 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' S' S ' 104' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -87.43 122.81 31.66 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.659 0.266 . . . . 1.98 110.581 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' S' S ' 105' ' ' ALA . . . . . . . . . . . . . . . -105.99 165.44 11.21 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.081 -0.508 . . . . 0.33000000000000002 111.282 -176.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' S' S ' 106' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -110.51 109.47 19.82 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.41 -0.589 . . . . 1.99 109.41 178.124 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' S' S ' 107' ' ' VAL . . . . . . . . . . . . . 53.7 t -102.59 126.74 56.71 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 N-CA-C 110.051 -0.351 . . . . 0.33000000000000002 110.051 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' S' S ' 108' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -162.54 157.67 22.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 1.76 109.871 -176.797 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' S' S ' 109' ' ' LEU . . . . . 0.696 HD11 HH12 ' S' ' 86' ' ' ARG . 96.6 mt -73.59 133.37 43.49 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.74 -0.467 . . . . 0.56999999999999995 109.74 176.544 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.74 -28.97 70.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.039 0.447 . . . . 0.66000000000000003 110.858 179.166 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' S' S ' 111' ' ' TYR . . . . . 0.467 ' HB2' ' HB2' ' S' ' 33' ' ' MET . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.54 0 CA-C-N 115.657 -0.701 . . . . 1.25 111.234 -179.346 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' S' S ' 33' ' ' MET . . . . . 0.422 ' HG3' ' HB2' ' S' ' 111' ' ' TYR . 55.8 ttm . . . . . 0 N--CA 1.451 -0.392 0 CA-C-O 121.009 0.433 . . . . 1.3899999999999999 110.6 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' S' S ' 34' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -93.37 4.7 53.55 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.041 -0.527 . . . . 0.96999999999999997 111.4 -175.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' S' S ' 35' ' ' THR . . . . . 0.636 ' O ' ' HA ' ' S' ' 82' ' ' THR . 18.3 p -110.2 -11.02 14.62 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.319 -0.4 . . . . 0.55000000000000004 110.452 -178.235 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' S' S ' 36' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -94.17 103.42 15.46 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.617 -0.72 . . . . 1.95 111.068 -172.502 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' S' S ' 37' ' ' ILE . . . . . 0.565 HD11 ' HA ' ' S' ' 89' ' ' ALA . 72.3 mt -95.84 131.66 42.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.947 -0.57 . . . . 0.40999999999999998 110.371 177.698 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' S' S ' 38' ' ' PHE . . . . . 0.463 ' HD1' ' CE1' ' S' ' 80' ' ' PHE . 92.6 t80 -98.52 123.76 42.87 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.374 -0.602 . . . . 0.45000000000000001 109.374 176.558 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' S' S ' 39' ' ' VAL . . . . . . . . . . . . . 21.7 t -121.67 104.08 14.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.442 -0.345 . . . . 0.20000000000000001 110.333 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' S' S ' 40' ' ' GLY . . . . . . . . . . . . . . . -114.85 165.21 12.05 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.914 -0.66 . . . . 0.27000000000000002 112.073 -178.062 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' S' S ' 41' ' ' GLY . . . . . . . . . . . . . . . 94.37 25.78 15.39 Favored Glycine 0 C--O 1.229 -0.182 0 C-N-CA 121.047 -0.597 . . . . 0.48999999999999999 111.999 178.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' S' S ' 42' ' ' LEU . . . . . 0.591 HD13 HG21 ' S' ' 46' ' ' THR . 69.7 mt -99.83 146.79 32.48 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-O 120.574 0.226 . . . . 0.59999999999999998 110.687 -177.003 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' S' S ' 43' ' ' PRO . . . . . 0.491 ' HG3' ' HG3' ' S' ' 103' ' ' ARG . 17.2 Cg_exo -67.98 165.97 26.34 Favored 'Trans proline' 0 N--CA 1.462 -0.335 0 C-N-CA 122.444 2.096 . . . . 0.55000000000000004 111.571 172.398 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' S' S ' 44' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -66.49 -16.36 64.07 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 121.373 0.606 . . . . 2.4100000000000001 111.213 -178.353 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' S' S ' 45' ' ' HIS . . . . . . . . . . . . . 10.8 m80 -84.94 -6.46 59.34 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.508 -0.769 . . . . 2.3100000000000001 110.791 -174.808 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' S' S ' 46' ' ' THR . . . . . 0.591 HG21 HD13 ' S' ' 42' ' ' LEU . 6.5 m -75.63 110.39 9.99 Favored 'General case' 0 N--CA 1.443 -0.79 0 N-CA-C 109.584 -0.524 . . . . 0.53000000000000003 109.584 -176.454 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' S' S ' 47' ' ' SER . . . . . . . . . . . . . 15.7 m -89.9 166.55 13.43 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.072 0.463 . . . . 0.68000000000000005 110.754 -178.163 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' S' S ' 48' ' ' ASP . . . . . 0.424 ' CB ' ' HA ' ' S' ' 65' ' ' VAL . 30.1 p-10 -59.89 -43.71 94.64 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.874 -0.603 . . . . 1.29 110.809 178.791 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' S' S ' 49' ' ' LYS . . . . . . . . . . . . . 54.1 pttt -61.97 -31.96 72.36 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.711 -0.677 . . . . 2.5 111.229 176.466 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' S' S ' 50' ' ' THR . . . . . . . . . . . . . 7.8 m -68.17 -46.78 69.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.084 0.469 . . . . 0.42999999999999999 110.239 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' S' S ' 51' ' ' LEU . . . . . 0.447 HD22 ' HA3' ' S' ' 79' ' ' GLY . 34.7 tp -59.38 -42.95 92.85 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.468 -0.787 . . . . 0.46000000000000002 109.941 176.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' S' S ' 52' ' ' HIS . . . . . . . . . . . . . 65.2 t60 -61.85 -46.73 88.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.558 -0.746 . . . . 0.55000000000000004 110.629 177.431 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' S' S ' 53' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -54.02 -38.04 64.72 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 122.761 0.424 . . . . 2.2400000000000002 111.464 -177.168 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' S' S ' 54' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -77.25 -41.58 40.52 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.98 0.419 . . . . 0.55000000000000004 111.52 -177.309 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' S' S ' 55' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -85.03 -20.15 30.88 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.33 0.493 . . . . 0.5 112.33 -174.202 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' S' S ' 56' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -57.04 -23.54 47.24 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.435 0.636 . . . . 1.47 110.228 178.396 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' S' S ' 57' ' ' GLN . . . . . . . . . . . . . 19.3 tp60 -55.64 -34.24 64.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.141 -0.936 . . . . 2.98 111.541 174.625 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' S' S ' 58' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -93.24 -6.37 47.77 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 112.093 0.405 . . . . 0.65000000000000002 112.093 -172.753 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' S' S ' 59' ' ' GLY . . . . . . . . . . . . . . . 141.71 -168.63 25.5 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.444 -0.884 . . . . 0.44 112.997 177.763 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' S' S ' 60' ' ' ASP . . . . . 0.712 ' HB2' ' HD2' ' S' ' 84' ' ' LYS . 10.1 m-20 -72.14 143.32 49.0 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 120.9 0.381 . . . . 1.99 110.786 -178.17 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' S' S ' 61' ' ' ILE . . . . . 0.779 HG21 ' HB2' ' S' ' 64' ' ' ALA . 61.6 mt -119.8 125.34 74.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.936 -0.575 . . . . 0.42999999999999999 110.498 -178.094 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' S' S ' 62' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -81.03 -31.51 34.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 1.9099999999999999 110.96 -178.549 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' S' S ' 63' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -155.11 116.99 4.12 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.034 -0.53 . . . . 1.8100000000000001 110.062 -177.565 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' S' S ' 64' ' ' ALA . . . . . 0.779 ' HB2' HG21 ' S' ' 61' ' ' ILE . . . -139.39 100.9 4.11 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.733 0.301 . . . . 0.38 110.355 177.877 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' S' S ' 65' ' ' VAL . . . . . 0.424 ' HA ' ' CB ' ' S' ' 48' ' ' ASP . 21.6 m -140.27 142.26 31.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 120.808 0.337 . . . . 0.35999999999999999 111.082 -177.449 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' S' S ' 66' ' ' VAL . . . . . . . . . . . . . 91.7 t -90.12 118.06 34.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 108.337 -0.986 . . . . 0.29999999999999999 108.337 171.233 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' S' S ' 67' ' ' ILE . . . . . 0.451 HG22 ' HD3' ' S' ' 76' ' ' ARG . 46.8 mm -68.83 123.95 23.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.25 -0.432 . . . . 0.46999999999999997 111.466 -171.232 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' S' S ' 68' ' ' THR . . . . . . . . . . . . . 7.7 p -93.34 146.94 23.36 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 115.627 -0.715 . . . . 0.78000000000000003 109.88 176.322 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' S' S ' 69' ' ' ASP . . . . . 0.539 ' O ' ' HA ' ' S' ' 73' ' ' GLN . 18.2 t70 -65.52 149.72 49.58 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.238 -0.437 . . . . 1.75 110.802 -179.589 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' S' S ' 70' ' ' ARG . . . . . . . . . . . . . 57.5 mtp180 -78.92 -29.76 44.38 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.345 -0.389 . . . . 4.0199999999999996 111.058 -175.198 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' S' S ' 71' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -86.34 -56.24 3.53 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.369 -0.378 . . . . 2.6400000000000001 111.536 -179.104 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' S' S ' 72' ' ' THR . . . . . . . . . . . . . 61.5 p -86.1 -24.16 26.39 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.189 -0.46 . . . . 1.8400000000000001 111.937 -175.765 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' S' S ' 73' ' ' GLN . . . . . 0.539 ' HA ' ' O ' ' S' ' 69' ' ' ASP . 19.8 mm-40 66.17 19.38 11.1 Favored 'General case' 0 N--CA 1.465 0.318 0 O-C-N 123.573 0.546 . . . . 2.3500000000000001 111.166 -176.394 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' S' S ' 74' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -94.66 162.73 13.66 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.038 -0.528 . . . . 2.77 109.786 177.275 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' S' S ' 75' ' ' SER . . . . . . . . . . . . . 47.8 t -63.42 137.97 58.35 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.86 0.362 . . . . 1.51 110.679 -179.647 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' S' S ' 76' ' ' ARG . . . . . 0.451 ' HD3' HG22 ' S' ' 67' ' ' ILE . 32.8 mtp85 -93.48 3.17 55.99 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.262 -0.427 . . . . 2.54 111.287 -178.321 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' S' S ' 77' ' ' GLY . . . . . . . . . . . . . . . 87.14 20.32 53.14 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.592 -0.813 . . . . 0.53000000000000003 114.077 172.611 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' S' S ' 78' ' ' TYR . . . . . . . . . . . . . 39.0 p90 -166.27 159.37 14.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 117.144 0.472 . . . . 0.59999999999999998 110.455 178.506 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' S' S ' 79' ' ' GLY . . . . . 0.447 ' HA3' HD22 ' S' ' 51' ' ' LEU . . . -140.64 165.43 26.13 Favored Glycine 0 N--CA 1.447 -0.628 0 N-CA-C 111.411 -0.676 . . . . 0.17000000000000001 111.411 179.301 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' S' S ' 80' ' ' PHE . . . . . 0.463 ' CE1' ' HD1' ' S' ' 38' ' ' PHE . 96.6 m-85 -113.78 137.56 51.47 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 110.118 -0.327 . . . . 0.39000000000000001 110.118 177.662 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' S' S ' 81' ' ' VAL . . . . . . . . . . . . . 37.4 t -121.47 112.73 36.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.182 -0.463 . . . . 0.23999999999999999 110.262 178.51 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' S' S ' 82' ' ' THR . . . . . 0.636 ' HA ' ' O ' ' S' ' 35' ' ' THR . 23.2 m -102.39 107.11 18.01 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.295 -0.631 . . . . 0.29999999999999999 109.295 176.307 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' S' S ' 83' ' ' MET . . . . . 0.494 ' SD ' HG12 ' S' ' 61' ' ' ILE . 92.4 mmm -79.81 159.11 26.63 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 110.104 -0.332 . . . . 0.71999999999999997 110.104 -178.04 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' S' S ' 84' ' ' LYS . . . . . 0.712 ' HD2' ' HB2' ' S' ' 60' ' ' ASP . 9.8 ptmm? -66.7 -28.66 68.62 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 121.086 0.47 . . . . 2.21 110.475 -179.734 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' S' S ' 85' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -135.46 153.86 51.62 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 116.061 -0.518 . . . . 1.8500000000000001 111.186 -178.036 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' S' S ' 86' ' ' ARG . . . . . . . . . . . . . 82.3 mtm180 -67.2 -27.33 67.17 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.295 -0.866 . . . . 3.96 110.171 178.166 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' S' S ' 87' ' ' ALA . . . . . 0.518 ' O ' ' HG3' ' S' ' 90' ' ' GLU . . . -66.74 -40.08 88.19 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.146 -0.479 . . . . 0.62 110.748 177.203 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' S' S ' 88' ' ' SER . . . . . . . . . . . . . 15.3 m -67.74 -33.45 74.88 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.225 0.536 . . . . 0.88 110.196 177.291 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' S' S ' 89' ' ' ALA . . . . . 0.565 ' HA ' HD11 ' S' ' 37' ' ' ILE . . . -65.31 -46.91 78.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.506 -0.77 . . . . 0.34999999999999998 111.182 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' S' S ' 90' ' ' GLU . . . . . 0.613 ' O ' ' HG2' ' S' ' 94' ' ' LYS . 2.6 pp20? -66.98 -30.55 70.69 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.739 -0.384 . . . . 1.8500000000000001 111.033 -179.022 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' S' S ' 91' ' ' ARG . . . . . 0.508 ' HG3' ' O ' ' S' ' 87' ' ' ALA . 99.3 mtt180 -57.03 -50.78 71.67 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 121.005 0.431 . . . . 2.9199999999999999 110.591 175.411 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' S' S ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.13 -28.88 66.85 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.864 -0.607 . . . . 0.46999999999999997 111.008 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' S' S ' 93' ' ' CYS . . . . . . . . . . . . . 49.8 t -80.52 -9.68 59.76 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.081 -0.509 . . . . 1.3500000000000001 111.438 -177.059 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' S' S ' 94' ' ' LYS . . . . . 0.613 ' HG2' ' O ' ' S' ' 90' ' ' GLU . 28.6 mmtp -74.29 -9.86 59.02 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 122.258 -0.276 . . . . 2.9500000000000002 111.555 178.404 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' S' S ' 95' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -120.97 89.26 45.75 Favored Pre-proline 0 C--N 1.327 -0.404 0 N-CA-C 108.667 -0.864 . . . . 2.1299999999999999 108.667 172.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' S' S ' 96' ' ' PRO . . . . . 0.418 ' C ' HD22 ' S' ' 97' ' ' ASN . 19.1 Cg_exo -67.84 -29.83 34.47 Favored 'Trans proline' 0 C--O 1.234 0.276 0 C-N-CA 122.997 2.465 . . . . 0.76000000000000001 113.709 -171.025 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' S' S ' 97' ' ' ASN . . . . . 0.418 HD22 ' C ' ' S' ' 96' ' ' PRO . 0.8 OUTLIER -128.78 77.18 78.04 Favored Pre-proline 0 N--CA 1.467 0.404 0 CA-C-O 120.556 0.217 . . . . 1.0800000000000001 110.963 -178.266 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' S' S ' 98' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -84.91 151.86 11.2 Favored 'Trans proline' 0 N--CA 1.455 -0.782 0 C-N-CA 123.198 2.599 . . . . 0.53000000000000003 112.095 178.476 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' S' S ' 99' ' ' ILE . . . . . . . . . . . . . 48.9 mm -93.31 108.32 20.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 116.012 -0.54 . . . . 0.51000000000000001 110.544 178.14 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' S' S ' 100' ' ' ILE . . . . . . . . . . . . . 62.7 mt -116.82 122.85 70.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.51 -0.768 . . . . 0.56999999999999995 109.473 179.362 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' S' S ' 101' ' ' ASP . . . . . . . . . . . . . 38.5 t70 65.67 15.47 10.06 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 121.913 0.863 . . . . 1.3999999999999999 110.358 -178.771 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' S' S ' 102' ' ' GLY . . . . . . . . . . . . . . . 89.72 -0.81 80.41 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.75 -0.738 . . . . 0.81999999999999995 111.55 -177.29 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' S' S ' 103' ' ' ARG . . . . . 0.491 ' HG3' ' HG3' ' S' ' 43' ' ' PRO . 35.4 mmt180 -103.18 151.84 22.15 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-O 120.801 0.334 . . . . 3.1099999999999999 110.794 -179.468 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' S' S ' 104' ' ' LYS . . . . . 0.403 ' HE3' ' HB2' ' S' ' 104' ' ' LYS . 35.5 ttmt -89.51 108.82 19.88 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.239 -0.437 . . . . 1.98 110.172 -178.604 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' S' S ' 105' ' ' ALA . . . . . . . . . . . . . . . -94.44 157.62 15.92 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.235 -0.439 . . . . 0.33000000000000002 111.113 -177.665 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' S' S ' 106' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -111.23 110.06 20.37 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.906 -0.588 . . . . 1.99 109.66 178.304 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' S' S ' 107' ' ' VAL . . . . . . . . . . . . . 75.2 t -109.7 127.08 66.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 120.958 0.409 . . . . 0.33000000000000002 110.669 -178.719 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' S' S ' 108' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -163.97 151.74 12.6 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.786 -0.643 . . . . 1.76 109.903 -179.4 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' S' S ' 109' ' ' LEU . . . . . . . . . . . . . 94.8 mt -65.77 129.94 41.53 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.439 -0.578 . . . . 0.56999999999999995 109.439 175.64 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' S' S ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.28 -24.27 67.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.021 0.439 . . . . 0.66000000000000003 111.189 -176.215 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' S' S ' 111' ' ' TYR . . . . . 0.422 ' HB2' ' HG3' ' S' ' 33' ' ' MET . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.441 0 CA-C-N 115.762 -0.654 . . . . 1.25 110.986 179.653 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 25.6 ttt . . . . . 0 N--CA 1.456 -0.135 0 CA-C-O 121.121 0.486 . . . . 1.3899999999999999 110.745 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' S' S ' 34' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -108.67 14.45 24.44 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.991 -0.549 . . . . 0.96999999999999997 111.65 -175.023 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' S' S ' 35' ' ' THR . . . . . . . . . . . . . 74.9 p -123.78 -3.43 8.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.876 0.37 . . . . 0.55000000000000004 110.779 -179.695 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' S' S ' 36' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -91.93 103.1 15.66 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.612 0.72 . . . . 1.95 110.472 -178.491 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' S' S ' 37' ' ' ILE . . . . . 0.639 HD11 ' HA ' ' S' ' 89' ' ' ALA . 63.2 mt -96.17 142.44 13.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 114.987 -1.006 . . . . 0.40999999999999998 111.0 -176.66 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' S' S ' 38' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -104.91 133.28 49.97 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.875 -0.602 . . . . 0.45000000000000001 109.616 173.275 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' S' S ' 39' ' ' VAL . . . . . . . . . . . . . 20.7 t -126.33 103.05 10.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.382 -0.372 . . . . 0.20000000000000001 110.03 178.186 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' S' S ' 40' ' ' GLY . . . . . . . . . . . . . . . -113.79 152.82 17.91 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.471 -0.871 . . . . 0.27000000000000002 112.002 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' S' S ' 41' ' ' GLY . . . . . . . . . . . . . . . 99.31 38.62 3.71 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.651 -0.785 . . . . 0.48999999999999999 111.66 -179.12 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' S' S ' 42' ' ' LEU . . . . . 0.501 ' O ' ' HA2' ' S' ' 77' ' ' GLY . 57.8 mt -104.14 144.64 29.11 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-N 115.494 -0.353 . . . . 0.59999999999999998 110.289 -178.104 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' S' S ' 43' ' ' PRO . . . . . 0.487 ' HD2' ' OG1' ' S' ' 46' ' ' THR . 18.4 Cg_exo -66.85 167.39 19.68 Favored 'Trans proline' 0 N--CA 1.46 -0.491 0 C-N-CA 122.292 1.994 . . . . 0.55000000000000004 111.612 173.125 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' S' S ' 44' ' ' TYR . . . . . 0.824 ' HA ' ' HB3' ' S' ' 75' ' ' SER . 6.5 m-85 -73.06 -9.88 59.2 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.01 -0.541 . . . . 2.4100000000000001 110.748 -175.337 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' S' S ' 45' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -89.66 -10.59 45.26 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.668 -0.696 . . . . 2.3100000000000001 109.379 -178.771 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' S' S ' 46' ' ' THR . . . . . 0.558 HG22 HG21 ' S' ' 66' ' ' VAL . 91.1 m -85.35 110.15 18.91 Favored 'General case' 0 N--CA 1.437 -1.105 0 CA-C-N 115.464 -0.789 . . . . 0.53000000000000003 109.655 -178.408 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' S' S ' 47' ' ' SER . . . . . . . . . . . . . 43.2 m -109.72 -175.05 2.64 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.835 -0.62 . . . . 0.68000000000000005 110.575 -178.242 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' S' S ' 48' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -49.33 -49.49 43.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.834 -0.621 . . . . 1.29 111.216 176.012 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' S' S ' 49' ' ' LYS . . . . . 0.409 ' HG3' ' N ' ' S' ' 50' ' ' THR . 0.7 OUTLIER -58.38 -36.85 74.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.326 -0.397 . . . . 2.5 111.3 179.496 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' S' S ' 50' ' ' THR . . . . . 0.409 ' N ' ' HG3' ' S' ' 49' ' ' LYS . 4.6 m -69.71 -46.14 66.64 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 120.732 0.301 . . . . 0.42999999999999999 110.809 -175.473 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' S' S ' 51' ' ' LEU . . . . . . . . . . . . . 12.5 tp -65.49 -40.09 92.68 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-O 120.936 0.398 . . . . 0.46000000000000002 110.321 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' S' S ' 52' ' ' HIS . . . . . . . . . . . . . 43.4 t60 -64.33 -46.2 84.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.55000000000000004 110.303 177.444 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' S' S ' 53' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -51.4 -43.24 61.89 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 115.382 -0.826 . . . . 2.2400000000000002 111.622 -178.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' S' S ' 54' ' ' TYR . . . . . . . . . . . . . 43.4 t80 -76.29 -41.44 48.69 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.966 -0.561 . . . . 0.55000000000000004 111.604 -175.452 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' S' S ' 55' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -85.57 -20.79 29.04 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 113.033 0.753 . . . . 0.5 113.033 -172.044 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' S' S ' 56' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -60.57 -21.11 62.22 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 121.138 0.494 . . . . 1.47 111.001 -179.237 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' S' S ' 57' ' ' GLN . . . . . . . . . . . . . 19.8 tp60 -60.59 -36.94 79.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.048 0.452 . . . . 2.98 110.812 175.617 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' S' S ' 58' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -81.91 -16.56 50.17 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.435 -0.348 . . . . 0.65000000000000002 111.329 -174.617 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' S' S ' 59' ' ' GLY . . . . . . . . . . . . . . . 156.71 178.39 30.76 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.422 -0.894 . . . . 0.44 112.724 178.327 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' S' S ' 60' ' ' ASP . . . . . 0.449 ' HB3' ' HD3' ' S' ' 84' ' ' LYS . 26.0 t70 -71.19 147.75 48.0 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-O 120.877 0.37 . . . . 1.99 110.496 178.283 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' S' S ' 61' ' ' ILE . . . . . 0.637 HG21 ' HB2' ' S' ' 64' ' ' ALA . 51.6 mt -122.93 139.21 50.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.801 -0.636 . . . . 0.42999999999999999 111.288 -169.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' S' S ' 62' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -88.41 -48.57 7.53 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.072 0.463 . . . . 1.9099999999999999 110.624 174.548 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' S' S ' 63' ' ' GLU . . . . . 0.487 ' O ' ' HA ' ' S' ' 81' ' ' VAL . 3.4 tp10 -128.91 124.89 36.34 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.882 -0.599 . . . . 1.8100000000000001 109.938 -176.886 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' S' S ' 64' ' ' ALA . . . . . 0.637 ' HB2' HG21 ' S' ' 61' ' ' ILE . . . -149.95 99.5 2.84 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.783 0.325 . . . . 0.38 110.493 176.387 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' S' S ' 65' ' ' VAL . . . . . . . . . . . . . 30.9 m -146.0 142.44 21.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.944 -0.571 . . . . 0.35999999999999999 110.708 179.58 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' S' S ' 66' ' ' VAL . . . . . 0.558 HG21 HG22 ' S' ' 46' ' ' THR . 87.6 t -95.18 126.17 47.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 107.606 -1.257 . . . . 0.29999999999999999 107.606 168.626 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' S' S ' 67' ' ' ILE . . . . . . . . . . . . . 50.6 mm -68.43 127.33 30.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.035 0.445 . . . . 0.46999999999999997 110.875 -170.732 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' S' S ' 68' ' ' THR . . . . . . . . . . . . . 37.4 p -101.3 144.25 30.37 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 115.464 -0.789 . . . . 0.78000000000000003 111.318 -176.116 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' S' S ' 69' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -59.55 140.01 56.67 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.458 -0.792 . . . . 1.75 109.891 175.388 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' S' S ' 70' ' ' ARG . . . . . . . . . . . . . 38.1 mmt180 -74.27 -15.62 60.97 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.238 0.459 . . . . 4.0199999999999996 112.238 -174.409 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' S' S ' 71' ' ' ASN . . . . . . . . . . . . . 14.3 m-80 -93.84 -56.27 2.94 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.127 0.489 . . . . 2.6400000000000001 110.25 -176.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' S' S ' 72' ' ' THR . . . . . . . . . . . . . 31.9 p -96.07 -15.23 22.33 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.575 -0.738 . . . . 1.8400000000000001 112.259 -174.126 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' S' S ' 73' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 64.66 24.26 12.92 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.13 0.49 . . . . 2.3500000000000001 111.083 -177.53 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' S' S ' 74' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -92.14 165.45 13.14 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.862 -0.608 . . . . 2.77 110.342 177.719 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' S' S ' 75' ' ' SER . . . . . 0.824 ' HB3' ' HA ' ' S' ' 44' ' ' TYR . 35.8 t -66.36 140.43 58.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.433 -0.348 . . . . 1.51 110.767 179.036 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' S' S ' 76' ' ' ARG . . . . . . . . . . . . . 67.9 mtp180 -101.18 6.04 42.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.066 0.46 . . . . 2.54 110.776 177.207 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' S' S ' 77' ' ' GLY . . . . . 0.501 ' HA2' ' O ' ' S' ' 42' ' ' LEU . . . 90.13 20.85 40.75 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.828 -0.701 . . . . 0.53000000000000003 114.368 173.089 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' S' S ' 78' ' ' TYR . . . . . . . . . . . . . 46.1 p90 -162.25 151.48 15.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 117.567 0.684 . . . . 0.59999999999999998 110.976 177.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' S' S ' 79' ' ' GLY . . . . . . . . . . . . . . . -147.59 175.85 26.72 Favored Glycine 0 N--CA 1.444 -0.794 0 C-N-CA 121.162 -0.542 . . . . 0.17000000000000001 111.878 177.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' S' S ' 80' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -128.38 141.56 51.38 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 110.273 -0.269 . . . . 0.39000000000000001 110.273 179.081 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' S' S ' 81' ' ' VAL . . . . . 0.487 ' HA ' ' O ' ' S' ' 63' ' ' GLU . 49.9 t -130.75 115.66 31.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.067 0.46 . . . . 0.23999999999999999 110.652 178.827 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' S' S ' 82' ' ' THR . . . . . . . . . . . . . 24.6 m -101.02 113.33 26.22 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.734 -0.469 . . . . 0.29999999999999999 109.734 176.625 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' S' S ' 83' ' ' MET . . . . . . . . . . . . . 91.9 mmm -88.56 167.3 13.52 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 123.645 0.59 . . . . 0.71999999999999997 110.951 -175.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' S' S ' 84' ' ' LYS . . . . . 0.449 ' HD3' ' HB3' ' S' ' 60' ' ' ASP . 13.4 pttm -80.74 -26.66 37.2 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 116.305 -0.407 . . . . 2.21 111.085 -178.182 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' S' S ' 85' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -129.19 151.11 50.22 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 116.295 -0.412 . . . . 1.8500000000000001 110.741 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' S' S ' 86' ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -66.3 -31.93 73.03 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.933 -0.766 . . . . 3.96 108.933 172.35 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' S' S ' 87' ' ' ALA . . . . . 0.459 ' O ' ' HG3' ' S' ' 91' ' ' ARG . . . -61.78 -43.82 98.1 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.772 -0.649 . . . . 0.62 110.633 176.646 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' S' S ' 88' ' ' SER . . . . . . . . . . . . . 10.6 m -64.38 -35.08 79.73 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.091 0.472 . . . . 0.88 110.042 177.412 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' S' S ' 89' ' ' ALA . . . . . 0.639 ' HA ' HD11 ' S' ' 37' ' ' ILE . . . -67.41 -48.76 66.4 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.618 -0.719 . . . . 0.34999999999999998 111.033 179.783 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' S' S ' 90' ' ' GLU . . . . . 0.402 ' HG2' ' HA ' ' S' ' 87' ' ' ALA . 11.9 pt-20 -70.2 -23.14 62.9 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.808 -0.178 . . . . 1.8500000000000001 111.048 -178.389 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' S' S ' 91' ' ' ARG . . . . . 0.459 ' HG3' ' O ' ' S' ' 87' ' ' ALA . 95.8 mtt180 -66.14 -39.05 89.56 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.017 0.437 . . . . 2.9199999999999999 110.099 171.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' S' S ' 92' ' ' ALA . . . . . . . . . . . . . . . -74.29 -40.08 62.51 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.834 -0.621 . . . . 0.46999999999999997 110.653 177.494 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' S' S ' 93' ' ' CYS . . . . . . . . . . . . . 73.8 m -73.43 -8.22 54.99 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.117 -0.492 . . . . 1.3500000000000001 111.094 178.05 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' S' S ' 94' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -64.99 -24.32 67.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.06 0.457 . . . . 2.9500000000000002 109.966 176.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' S' S ' 95' ' ' ASP . . . . . 0.421 ' HA ' ' HD3' ' S' ' 96' ' ' PRO . 36.6 t0 -109.72 99.12 36.67 Favored Pre-proline 0 C--N 1.328 -0.34 0 N-CA-C 108.561 -0.903 . . . . 2.1299999999999999 108.561 172.708 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' S' S ' 96' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' S' ' 95' ' ' ASP . 11.4 Cg_exo -71.59 -21.95 25.01 Favored 'Trans proline' 0 C--O 1.234 0.312 0 C-N-CA 123.073 2.515 . . . . 0.76000000000000001 113.398 -171.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' S' S ' 97' ' ' ASN . . . . . 0.702 ' HA ' ' O ' ' S' ' 105' ' ' ALA . 0.3 OUTLIER -152.51 67.89 6.87 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-O 120.759 0.314 . . . . 1.0800000000000001 111.49 -175.801 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' S' S ' 98' ' ' PRO . . . . . 0.507 ' O ' ' HA ' ' S' ' 104' ' ' LYS . 92.4 Cg_endo -79.61 157.8 25.06 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.967 2.444 . . . . 0.53000000000000003 112.667 -178.206 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' S' S ' 99' ' ' ILE . . . . . . . . . . . . . 43.1 mm -87.18 100.78 10.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.299 -0.41 . . . . 0.51000000000000001 110.375 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' S' S ' 100' ' ' ILE . . . . . . . . . . . . . 48.1 mt -111.46 118.51 57.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 116.189 -0.459 . . . . 0.56999999999999995 109.88 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' S' S ' 101' ' ' ASP . . . . . . . . . . . . . 37.6 t0 60.73 30.08 19.45 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 121.795 0.807 . . . . 1.3999999999999999 110.476 177.379 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' S' S ' 102' ' ' GLY . . . . . . . . . . . . . . . 87.13 12.91 67.12 Favored Glycine 0 N--CA 1.45 -0.391 0 CA-C-N 115.584 -0.735 . . . . 0.81999999999999995 113.33 177.159 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' S' S ' 103' ' ' ARG . . . . . . . . . . . . . 5.7 tpp180 -138.28 135.98 36.02 Favored 'General case' 0 C--N 1.322 -0.592 0 O-C-N 122.197 -0.59 . . . . 3.1099999999999999 109.938 179.446 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' S' S ' 104' ' ' LYS . . . . . 0.507 ' HA ' ' O ' ' S' ' 98' ' ' PRO . 0.2 OUTLIER -77.1 109.58 11.06 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.665 0.745 . . . . 1.98 109.921 179.498 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' S' S ' 105' ' ' ALA . . . . . 0.702 ' O ' ' HA ' ' S' ' 97' ' ' ASN . . . -85.36 156.93 20.67 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.187 -0.915 . . . . 0.33000000000000002 110.747 -176.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' S' S ' 106' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -102.69 109.49 21.1 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 109.217 -0.66 . . . . 1.99 109.217 -179.489 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' S' S ' 107' ' ' VAL . . . . . . . . . . . . . 43.6 t -104.98 126.46 59.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.403 -0.362 . . . . 0.33000000000000002 110.406 -177.49 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' S' S ' 108' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -164.81 161.85 20.65 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.316 -0.624 . . . . 1.76 109.316 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' S' S ' 109' ' ' LEU . . . . . . . . . . . . . 95.1 mt -77.77 134.91 37.95 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.001 0.429 . . . . 0.56999999999999995 110.279 -179.456 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' S' S ' 110' ' ' ALA . . . . . . . . . . . . . . . -72.77 -14.43 61.54 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.895 0.702 . . . . 0.66000000000000003 112.895 -171.257 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' S' S ' 111' ' ' TYR . . . . . . . . . . . . . 8.9 p90 . . . . . 0 CA--C 1.532 0.288 0 CA-C-O 120.821 0.343 . . . . 1.25 111.385 -175.754 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' S' S ' 33' ' ' MET . . . . . 0.611 ' HB3' ' HB3' ' S' ' 111' ' ' TYR . 46.7 mtm . . . . . 0 N--CA 1.457 -0.118 0 CA-C-O 120.923 0.392 . . . . 1.3899999999999999 110.608 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' S' S ' 34' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -100.99 4.49 42.49 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.942 -0.572 . . . . 0.96999999999999997 111.756 -174.113 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' S' S ' 35' ' ' THR . . . . . 0.505 ' O ' ' HA ' ' S' ' 82' ' ' THR . 15.7 p -124.77 -9.01 7.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.082 0.467 . . . . 0.55000000000000004 110.872 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' S' S ' 36' ' ' LYS . . . . . . . . . . . . . 74.3 tttt -98.66 113.87 26.11 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.69 -0.686 . . . . 1.95 109.917 179.189 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' S' S ' 37' ' ' ILE . . . . . 0.496 HD11 ' HA ' ' S' ' 89' ' ' ALA . 41.8 mt -108.0 143.09 19.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 115.804 -0.635 . . . . 0.40999999999999998 111.296 -175.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' S' S ' 38' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -102.84 122.94 45.54 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.3 -0.629 . . . . 0.45000000000000001 109.3 176.364 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' S' S ' 39' ' ' VAL . . . . . 0.633 HG13 HG22 ' S' ' 107' ' ' VAL . 38.6 t -120.74 103.79 14.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.533 -0.303 . . . . 0.20000000000000001 110.496 -179.363 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' S' S ' 40' ' ' GLY . . . . . . . . . . . . . . . -108.02 151.98 16.97 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.399 -0.905 . . . . 0.27000000000000002 112.067 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' S' S ' 41' ' ' GLY . . . . . . . . . . . . . . . 104.28 37.14 2.94 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.576 -0.821 . . . . 0.48999999999999999 111.863 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' S' S ' 42' ' ' LEU . . . . . 0.523 HD11 HD13 ' S' ' 51' ' ' LEU . 88.0 mt -105.9 130.07 23.6 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-O 120.643 0.258 . . . . 0.59999999999999998 111.052 -177.722 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' S' S ' 43' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -56.12 162.81 6.89 Favored 'Trans proline' 0 CA--C 1.532 0.417 0 C-N-CA 123.164 2.576 . . . . 0.55000000000000004 112.58 175.746 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' S' S ' 44' ' ' TYR . . . . . 0.693 ' HA ' ' HB3' ' S' ' 75' ' ' SER . 29.0 m-85 -62.87 -30.92 71.88 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.752 -0.658 . . . . 2.4100000000000001 112.056 -173.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' S' S ' 45' ' ' HIS . . . . . . . . . . . . . 3.7 p80 -94.17 12.11 27.75 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.194 0.521 . . . . 2.3100000000000001 111.395 -176.265 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' S' S ' 46' ' ' THR . . . . . . . . . . . . . 87.0 m -85.47 109.88 18.78 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.15 -0.685 . . . . 0.53000000000000003 109.15 175.513 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' S' S ' 47' ' ' SER . . . . . . . . . . . . . 13.9 m -102.18 -176.63 3.17 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.189 -0.46 . . . . 0.68000000000000005 111.018 -173.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' S' S ' 48' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -54.12 -44.75 71.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.667 -0.697 . . . . 1.29 110.361 177.154 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' S' S ' 49' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -58.71 -40.35 83.46 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.619 -0.719 . . . . 2.5 111.522 179.242 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' S' S ' 50' ' ' THR . . . . . . . . . . . . . 3.0 m -66.61 -48.35 69.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.832 0.349 . . . . 0.42999999999999999 110.568 -178.196 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' S' S ' 51' ' ' LEU . . . . . 0.523 HD13 HD11 ' S' ' 42' ' ' LEU . 32.6 tp -62.2 -47.57 83.87 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-O 121.217 0.532 . . . . 0.46000000000000002 110.504 178.518 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' S' S ' 52' ' ' HIS . . . . . . . . . . . . . 16.9 t-80 -60.22 -51.33 70.03 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.652 -0.703 . . . . 0.55000000000000004 111.506 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' S' S ' 53' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -55.21 -49.84 70.94 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.597 0.237 . . . . 2.2400000000000002 111.605 -176.2 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' S' S ' 54' ' ' TYR . . . . . . . . . . . . . 92.2 t80 -63.88 -41.77 97.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.492 -0.322 . . . . 0.55000000000000004 111.613 -176.548 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' S' S ' 55' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -85.36 -22.2 28.54 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 112.537 0.569 . . . . 0.5 112.537 -173.792 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' S' S ' 56' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -68.81 -17.67 64.05 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.199 0.523 . . . . 1.47 109.89 178.267 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' S' S ' 57' ' ' GLN . . . . . . . . . . . . . 35.6 tp60 -58.8 -33.63 70.58 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.724 -0.671 . . . . 2.98 110.355 172.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' S' S ' 58' ' ' PHE . . . . . 0.411 ' HB3' ' CB ' ' S' ' 91' ' ' ARG . 52.4 m-85 -85.62 -29.97 23.64 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.173 -0.467 . . . . 0.65000000000000002 110.665 -177.438 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' S' S ' 59' ' ' GLY . . . . . . . . . . . . . . . 172.55 165.85 30.22 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.994 -0.622 . . . . 0.44 112.749 178.819 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' S' S ' 60' ' ' ASP . . . . . 0.677 ' HB3' ' HD3' ' S' ' 84' ' ' LYS . 26.1 t70 -56.95 139.71 51.04 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.21 0.528 . . . . 1.99 111.548 178.425 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' S' S ' 61' ' ' ILE . . . . . 0.725 HG21 ' HB2' ' S' ' 64' ' ' ALA . 57.8 mt -118.21 145.44 24.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.593 -0.731 . . . . 0.42999999999999999 110.394 -176.298 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' S' S ' 62' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -92.84 -53.84 4.0 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.991 0.424 . . . . 1.9099999999999999 110.393 177.336 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' S' S ' 63' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -136.4 118.34 15.26 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.997 -0.547 . . . . 1.8100000000000001 110.021 179.185 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' S' S ' 64' ' ' ALA . . . . . 0.725 ' HB2' HG21 ' S' ' 61' ' ' ILE . . . -135.74 100.49 4.48 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 110.001 -0.37 . . . . 0.38 110.001 177.457 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' S' S ' 65' ' ' VAL . . . . . . . . . . . . . 30.8 m -133.02 138.96 50.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 121.003 0.43 . . . . 0.35999999999999999 110.912 -178.004 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' S' S ' 66' ' ' VAL . . . . . . . . . . . . . 61.7 t -88.64 122.9 40.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 108.356 -0.979 . . . . 0.29999999999999999 108.356 173.446 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' S' S ' 67' ' ' ILE . . . . . . . . . . . . . 47.3 mm -68.24 131.34 33.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 120.924 0.392 . . . . 0.46999999999999997 110.575 -172.028 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' S' S ' 68' ' ' THR . . . . . . . . . . . . . 21.5 p -104.32 150.8 24.14 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.842 -0.617 . . . . 0.78000000000000003 111.283 -176.8 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' S' S ' 69' ' ' ASP . . . . . 0.472 ' O ' ' HA ' ' S' ' 73' ' ' GLN . 24.1 t70 -73.62 140.11 45.95 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.535 -0.757 . . . . 1.75 109.714 175.792 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' S' S ' 70' ' ' ARG . . . . . . . . . . . . . 28.3 mmm180 -76.59 -21.71 55.21 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 112.183 0.438 . . . . 4.0199999999999996 112.183 -174.303 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' S' S ' 71' ' ' ASN . . . . . . . . . . . . . 22.7 m120 -94.81 -50.72 5.01 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 111.877 0.325 . . . . 2.6400000000000001 111.877 -175.359 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' S' S ' 72' ' ' THR . . . . . . . . . . . . . 50.1 p -92.36 -22.68 19.55 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.455 -0.338 . . . . 1.8400000000000001 111.331 -178.674 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' S' S ' 73' ' ' GLN . . . . . 0.472 ' HA ' ' O ' ' S' ' 69' ' ' ASP . 13.7 mm-40 65.42 31.04 10.61 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.039 -0.528 . . . . 2.3500000000000001 111.933 -178.339 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' S' S ' 74' ' ' LYS . . . . . . . . . . . . . 34.2 mttp -103.12 173.73 6.17 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.009 -0.541 . . . . 2.77 109.79 170.526 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' S' S ' 75' ' ' SER . . . . . 0.693 ' HB3' ' HA ' ' S' ' 44' ' ' TYR . 41.4 t -65.84 140.82 58.41 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.043 0.449 . . . . 1.51 111.256 -178.633 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' S' S ' 76' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -70.95 -20.95 62.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.611 -0.722 . . . . 2.54 109.959 172.547 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' S' S ' 77' ' ' GLY . . . . . 0.463 ' HA2' ' O ' ' S' ' 42' ' ' LEU . . . 104.38 11.82 30.43 Favored Glycine 0 N--CA 1.444 -0.828 0 C-N-CA 120.699 -0.763 . . . . 0.53000000000000003 111.898 -177.647 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' S' S ' 78' ' ' TYR . . . . . . . . . . . . . 29.7 p90 -157.92 158.11 34.38 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 120.741 0.305 . . . . 0.59999999999999998 110.714 178.184 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' S' S ' 79' ' ' GLY . . . . . . . . . . . . . . . -139.0 165.78 25.57 Favored Glycine 0 N--CA 1.45 -0.369 0 CA-C-N 116.144 -0.48 . . . . 0.17000000000000001 111.978 178.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' S' S ' 80' ' ' PHE . . . . . 0.457 ' O ' ' HA ' ' S' ' 64' ' ' ALA . 63.9 m-85 -114.43 136.07 53.41 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.666 0.269 . . . . 0.39000000000000001 110.625 177.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' S' S ' 81' ' ' VAL . . . . . . . . . . . . . 25.9 t -124.81 113.73 37.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.292 -0.413 . . . . 0.23999999999999999 110.541 177.615 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' S' S ' 82' ' ' THR . . . . . 0.505 ' HA ' ' O ' ' S' ' 35' ' ' THR . 11.2 m -109.5 109.27 20.03 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.844 -0.799 . . . . 0.29999999999999999 108.844 176.081 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' S' S ' 83' ' ' MET . . . . . 0.544 ' HA ' ' HA ' ' S' ' 61' ' ' ILE . 5.1 mtp -94.62 172.29 8.27 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.354 -0.384 . . . . 0.71999999999999997 110.605 -170.862 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' S' S ' 84' ' ' LYS . . . . . 0.677 ' HD3' ' HB3' ' S' ' 60' ' ' ASP . 22.2 pttm -66.0 -36.94 84.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.261 -0.427 . . . . 2.21 111.701 -177.478 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' S' S ' 85' ' ' ASP . . . . . 0.467 ' HB3' ' HG3' ' S' ' 84' ' ' LYS . 0.0 OUTLIER -144.25 164.04 31.9 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.019 0.438 . . . . 1.8500000000000001 111.208 -172.631 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' S' S ' 86' ' ' ARG . . . . . 0.433 ' O ' ' HG3' ' S' ' 90' ' ' GLU . 67.5 mtm180 -72.31 -30.31 64.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.866 -0.606 . . . . 3.96 112.231 -175.469 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' S' S ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.85 -39.9 83.75 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.047 0.451 . . . . 0.62 110.005 -179.674 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' S' S ' 88' ' ' SER . . . . . . . . . . . . . 15.3 m -61.85 -38.24 87.49 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.75 -0.659 . . . . 0.88 109.69 174.181 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' S' S ' 89' ' ' ALA . . . . . 0.496 ' HA ' HD11 ' S' ' 37' ' ' ILE . . . -65.99 -38.91 89.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.621 -0.718 . . . . 0.34999999999999998 111.384 -179.039 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' S' S ' 90' ' ' GLU . . . . . 0.58 ' HA ' ' SG ' ' S' ' 93' ' ' CYS . 44.0 mt-10 -70.01 -31.54 69.26 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.431 -0.35 . . . . 1.8500000000000001 110.761 178.086 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' S' S ' 91' ' ' ARG . . . . . 0.411 ' CB ' ' HB3' ' S' ' 58' ' ' PHE . 86.3 mtt180 -62.2 -33.73 75.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.936 0.398 . . . . 2.9199999999999999 110.26 172.466 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' S' S ' 92' ' ' ALA . . . . . . . . . . . . . . . -76.0 -39.77 55.09 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.811 -0.632 . . . . 0.46999999999999997 111.409 -177.391 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' S' S ' 93' ' ' CYS . . . . . 0.58 ' SG ' ' HA ' ' S' ' 90' ' ' GLU . 12.3 p -94.69 8.85 41.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.983 0.42 . . . . 1.3500000000000001 110.9 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' S' S ' 94' ' ' LYS . . . . . . . . . . . . . 4.4 tptm -58.03 -36.86 73.33 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.862 -0.608 . . . . 2.9500000000000002 110.487 175.355 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' S' S ' 95' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -109.53 105.25 56.96 Favored Pre-proline 0 C--N 1.324 -0.529 0 N-CA-C 108.497 -0.927 . . . . 2.1299999999999999 108.497 173.422 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' S' S ' 96' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -66.37 -18.01 54.6 Favored 'Trans proline' 0 N--CA 1.463 -0.286 0 C-N-CA 122.575 2.184 . . . . 0.76000000000000001 112.342 -177.813 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' S' S ' 97' ' ' ASN . . . . . 0.531 ' HA ' ' O ' ' S' ' 105' ' ' ALA . 0.8 OUTLIER -133.34 70.76 77.03 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.241 -0.436 . . . . 1.0800000000000001 110.607 -178.367 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' S' S ' 98' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -78.43 154.26 27.77 Favored 'Trans proline' 0 N--CA 1.461 -0.422 0 C-N-CA 122.992 2.462 . . . . 0.53000000000000003 112.329 -178.779 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' S' S ' 99' ' ' ILE . . . . . . . . . . . . . 34.5 mm -95.71 95.9 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.008 -0.542 . . . . 0.51000000000000001 110.139 178.14 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' S' S ' 100' ' ' ILE . . . . . . . . . . . . . 57.6 mt -106.54 114.71 46.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 116.063 -0.517 . . . . 0.56999999999999995 110.382 -177.429 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' S' S ' 101' ' ' ASP . . . . . . . . . . . . . 32.6 t70 65.92 15.79 10.2 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 121.864 0.84 . . . . 1.3999999999999999 110.605 177.491 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' S' S ' 102' ' ' GLY . . . . . . . . . . . . . . . 94.93 4.6 61.5 Favored Glycine 0 N--CA 1.447 -0.578 0 CA-C-N 115.653 -0.703 . . . . 0.81999999999999995 112.231 -178.837 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' S' S ' 103' ' ' ARG . . . . . 0.448 ' HD2' ' HA ' ' S' ' 103' ' ' ARG . 18.1 tpt180 -113.78 136.09 53.23 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 110.117 -0.327 . . . . 3.1099999999999999 110.117 178.316 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' S' S ' 104' ' ' LYS . . . . . 0.509 ' HD3' ' OD1' ' S' ' 97' ' ' ASN . 39.4 ttmt -75.0 121.93 22.74 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.645 -0.502 . . . . 1.98 109.645 175.295 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' S' S ' 105' ' ' ALA . . . . . 0.531 ' O ' ' HA ' ' S' ' 97' ' ' ASN . . . -109.16 165.13 11.84 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.103 -0.499 . . . . 0.33000000000000002 111.195 -178.396 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' S' S ' 106' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -116.54 110.15 18.19 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.803 -0.635 . . . . 1.99 109.421 175.224 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' S' S ' 107' ' ' VAL . . . . . 0.633 HG22 HG13 ' S' ' 39' ' ' VAL . 61.9 t -107.08 127.4 62.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.071 -0.513 . . . . 0.33000000000000002 110.308 -178.241 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' S' S ' 108' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -150.8 148.88 29.04 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.138 -0.483 . . . . 1.76 109.868 -178.402 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' S' S ' 109' ' ' LEU . . . . . 0.414 HD23 HG12 ' S' ' 37' ' ' ILE . 95.6 mt -66.95 137.79 56.79 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 110.214 -0.291 . . . . 0.56999999999999995 110.214 178.508 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' S' S ' 110' ' ' ALA . . . . . . . . . . . . . . . -58.68 -37.11 75.34 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.755 0.65 . . . . 0.66000000000000003 112.755 -172.007 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' S' S ' 111' ' ' TYR . . . . . 0.611 ' HB3' ' HB3' ' S' ' 33' ' ' MET . 8.4 p90 . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 120.675 0.274 . . . . 1.25 111.55 -173.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.773 0 N-CA-C 112.043 -0.423 . . . . 11.029999999999999 112.043 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' S' S ' 26' ' ' ALA . . . . . . . . . . . . . . . 65.91 87.35 0.12 Allowed 'General case' 0 C--O 1.234 0.264 0 C-N-CA 123.187 0.595 . . . . 9.4600000000000009 111.971 177.425 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 27' ' ' MET . . . . . . . . . . . . . 14.1 ptp -136.54 112.31 9.48 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.787 -0.642 . . . . 9.9100000000000001 110.465 177.231 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 28' ' ' GLY . . . . . . . . . . . . . . . -126.36 77.31 0.39 Allowed Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.892 -0.67 . . . . 5.7699999999999996 111.952 178.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 29' ' ' SER . . . . . . . . . . . . . 59.4 m -153.73 151.75 29.97 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.845 -0.428 . . . . 4.4500000000000002 109.845 178.556 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 30' ' ' ARG . . . . . . . . . . . . . 80.8 mtm180 -125.39 112.56 16.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.823 0.344 . . . . 7.0300000000000002 110.324 179.257 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 31' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -81.47 -8.06 59.67 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.988 -0.551 . . . . 3.3900000000000001 110.562 179.403 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 32' ' ' THR . . . . . . . . . . . . . 8.4 p -85.46 6.98 24.5 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.801 -0.636 . . . . 1.26 112.294 -177.357 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 63.2 mtm -67.51 -22.11 65.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.051 0.453 . . . . 1.3899999999999999 111.119 -179.243 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 34' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -104.91 4.67 32.18 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.27 -0.423 . . . . 0.96999999999999997 110.835 -178.283 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 35' ' ' THR . . . . . 0.441 ' O ' ' HA ' ' S' ' 82' ' ' THR . 43.5 p -124.06 -6.18 7.83 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.925 0.393 . . . . 0.55000000000000004 110.693 -179.5 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 36' ' ' LYS . . . . . . . . . . . . . 45.9 tptt -88.98 97.23 11.08 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 115.767 -0.651 . . . . 1.95 110.233 -176.434 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 37' ' ' ILE . . . . . 0.406 HD11 ' HA ' ' S' ' 89' ' ' ALA . 64.8 mt -85.71 127.25 40.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 116.114 -0.493 . . . . 0.40999999999999998 111.004 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 38' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -96.81 117.82 31.9 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.714 -0.676 . . . . 0.45000000000000001 109.548 175.478 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 39' ' ' VAL . . . . . . . . . . . . . 21.5 t -112.88 101.39 12.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.32 -0.4 . . . . 0.20000000000000001 110.197 179.255 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 40' ' ' GLY . . . . . . . . . . . . . . . -101.68 152.56 18.72 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.886 -0.673 . . . . 0.27000000000000002 112.317 -179.183 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 41' ' ' GLY . . . . . . . . . . . . . . . 95.06 33.45 6.59 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.812 -0.709 . . . . 0.48999999999999999 111.931 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 42' ' ' LEU . . . . . 0.437 ' O ' ' HA2' ' S' ' 77' ' ' GLY . 68.8 mt -100.13 132.9 21.99 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-O 120.752 0.31 . . . . 0.59999999999999998 110.88 -178.072 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 43' ' ' PRO . . . . . 0.441 ' HD2' ' OG1' ' S' ' 46' ' ' THR . 31.4 Cg_exo -61.4 165.06 13.78 Favored 'Trans proline' 0 CA--C 1.532 0.381 0 C-N-CA 122.951 2.434 . . . . 0.55000000000000004 112.472 176.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 44' ' ' TYR . . . . . 0.676 ' HA ' ' HB2' ' S' ' 75' ' ' SER . 8.7 m-85 -78.27 -0.5 28.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.861 -0.609 . . . . 2.4100000000000001 111.878 -170.823 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 45' ' ' HIS . . . . . . . . . . . . . 7.3 p80 -114.78 0.65 13.89 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.946 0.403 . . . . 2.3100000000000001 110.707 -179.276 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 46' ' ' THR . . . . . 0.441 ' OG1' ' HD2' ' S' ' 43' ' ' PRO . 55.2 m -77.54 118.1 19.63 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 109.361 -0.607 . . . . 0.53000000000000003 109.361 178.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 47' ' ' SER . . . . . 0.54 ' HB2' ' HG2' ' S' ' 49' ' ' LYS . 5.6 m -97.49 174.57 6.6 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.084 0.469 . . . . 0.68000000000000005 111.281 -174.227 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 48' ' ' ASP . . . . . 0.487 ' HB2' ' O ' ' S' ' 64' ' ' ALA . 17.9 p-10 -58.57 -42.71 88.62 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.172 -0.922 . . . . 1.29 109.943 175.609 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 49' ' ' LYS . . . . . 0.54 ' HG2' ' HB2' ' S' ' 47' ' ' SER . 23.5 pttm -62.86 -34.4 77.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.644 -0.707 . . . . 2.5 111.337 178.628 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 50' ' ' THR . . . . . . . . . . . . . 4.7 m -67.37 -47.11 71.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.178 0.513 . . . . 0.42999999999999999 109.794 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 51' ' ' LEU . . . . . . . . . . . . . 15.8 tp -66.19 -40.04 90.13 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.421 -0.809 . . . . 0.46000000000000002 110.219 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 52' ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -61.32 -51.14 70.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.571 -0.74 . . . . 0.55000000000000004 110.815 178.333 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 53' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -50.32 -42.7 53.11 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.656 -0.702 . . . . 2.2400000000000002 111.451 179.419 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 54' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -74.05 -42.31 60.44 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.122 0.416 . . . . 0.55000000000000004 112.122 -176.22 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 55' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -85.67 -20.89 28.73 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 113.636 0.976 . . . . 0.5 113.636 -170.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 56' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -64.89 -15.97 62.66 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 120.619 -0.432 . . . . 1.47 110.913 -179.232 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 57' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -59.87 -25.38 65.01 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 115.857 -0.611 . . . . 2.98 110.865 174.156 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 58' ' ' PHE . . . . . 0.403 ' O ' ' HD3' ' S' ' 91' ' ' ARG . 82.6 m-85 -96.85 -15.37 21.28 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.037 0.384 . . . . 0.65000000000000002 112.037 -173.742 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 59' ' ' GLY . . . . . . . . . . . . . . . 155.09 -173.24 33.39 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.305 -0.95 . . . . 0.44 113.057 178.442 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 60' ' ' ASP . . . . . 0.702 ' HB2' ' HG2' ' S' ' 84' ' ' LYS . 2.0 m-20 -65.78 128.84 37.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.801 0.334 . . . . 1.99 110.442 -179.058 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 61' ' ' ILE . . . . . 0.584 HG21 ' HB2' ' S' ' 64' ' ' ALA . 58.3 mt -102.17 121.93 53.8 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 CA-C-N 116.036 -0.529 . . . . 0.42999999999999999 110.35 177.251 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 62' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -73.01 -52.87 12.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.553 0.692 . . . . 1.9099999999999999 109.574 176.015 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.81 137.88 33.64 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.873 -1.058 . . . . 1.8100000000000001 109.75 -176.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 64' ' ' ALA . . . . . 0.584 ' HB2' HG21 ' S' ' 61' ' ' ILE . . . -146.31 103.98 3.75 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 110.031 -0.359 . . . . 0.38 110.031 177.244 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 65' ' ' VAL . . . . . . . . . . . . . 33.3 m -137.64 137.91 44.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.233 0.54 . . . . 0.35999999999999999 111.277 -179.495 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 66' ' ' VAL . . . . . 0.426 ' HA ' ' HA2' ' S' ' 79' ' ' GLY . 73.5 t -93.63 118.12 38.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 107.974 -1.121 . . . . 0.29999999999999999 107.974 169.013 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 67' ' ' ILE . . . . . . . . . . . . . 49.4 mm -68.54 119.22 13.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.085 0.469 . . . . 0.46999999999999997 110.902 -171.468 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 68' ' ' THR . . . . . . . . . . . . . 68.8 p -99.26 147.91 24.68 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.508 -0.769 . . . . 0.78000000000000003 110.78 -178.323 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 69' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -65.66 126.0 27.03 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.419 -0.956 . . . . 1.75 108.419 171.435 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 70' ' ' ARG . . . . . . . . . . . . . 16.7 mmm180 -75.02 -10.43 59.47 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 113.327 0.862 . . . . 4.0199999999999996 113.327 -171.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 71' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -95.1 -49.3 5.58 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.566 -0.454 . . . . 2.6400000000000001 110.582 177.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 72' ' ' THR . . . . . . . . . . . . . 32.2 p -97.52 -15.99 20.3 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 112.16 0.429 . . . . 1.8400000000000001 112.16 -174.436 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 73' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 62.19 36.92 14.66 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.039 -0.528 . . . . 2.3500000000000001 112.416 179.588 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 74' ' ' LYS . . . . . . . . . . . . . 22.5 pttm -108.0 146.64 32.21 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.348 -0.612 . . . . 2.77 109.348 172.486 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 75' ' ' SER . . . . . 0.676 ' HB2' ' HA ' ' S' ' 44' ' ' TYR . 16.5 m -60.77 136.62 58.13 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 123.079 0.237 . . . . 1.51 110.366 177.67 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 76' ' ' ARG . . . . . . . . . . . . . 58.1 mtp180 -82.96 6.0 20.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.818 0.342 . . . . 2.54 111.08 -177.448 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 77' ' ' GLY . . . . . 0.437 ' HA2' ' O ' ' S' ' 42' ' ' LEU . . . 99.76 12.45 40.6 Favored Glycine 0 C--N 1.331 0.251 0 C-N-CA 121.028 -0.606 . . . . 0.53000000000000003 113.582 173.777 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 78' ' ' TYR . . . . . . . . . . . . . 41.9 p90 -157.85 158.55 35.35 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.929 0.364 . . . . 0.59999999999999998 110.934 -179.062 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 79' ' ' GLY . . . . . 0.426 ' HA2' ' HA ' ' S' ' 66' ' ' VAL . . . -139.42 162.4 26.12 Favored Glycine 0 N--CA 1.445 -0.71 0 N-CA-C 111.172 -0.771 . . . . 0.17000000000000001 111.172 175.787 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 80' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -120.85 136.69 54.86 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.887 0.344 . . . . 0.39000000000000001 110.97 -179.301 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 81' ' ' VAL . . . . . . . . . . . . . 46.9 t -124.51 115.86 45.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.911 -0.586 . . . . 0.23999999999999999 110.359 177.145 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 82' ' ' THR . . . . . 0.441 ' HA ' ' O ' ' S' ' 35' ' ' THR . 28.1 m -96.65 108.72 21.39 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 109.773 -0.454 . . . . 0.29999999999999999 109.773 176.23 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 83' ' ' MET . . . . . 0.623 ' HG3' ' HA ' ' S' ' 89' ' ' ALA . 91.6 mmm -80.79 161.58 24.43 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.353 -0.385 . . . . 0.71999999999999997 110.379 -179.785 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 84' ' ' LYS . . . . . 0.702 ' HG2' ' HB2' ' S' ' 60' ' ' ASP . 0.0 OUTLIER -68.71 -21.37 64.41 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.828 0.307 . . . . 2.21 111.828 -178.366 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' S' S ' 85' ' ' ASP . . . . . 0.462 ' CB ' ' HD2' ' S' ' 84' ' ' LYS . 23.4 t70 -156.5 162.06 39.98 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.411 -0.359 . . . . 1.8500000000000001 110.41 -178.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 86' ' ' ARG . . . . . 0.615 ' H ' ' CD ' ' S' ' 86' ' ' ARG . 0.0 OUTLIER -67.68 -29.52 68.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.015 -0.539 . . . . 3.96 111.671 -178.65 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' S' S ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.75 -38.66 87.06 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.251 0.548 . . . . 0.62 110.27 178.162 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 88' ' ' SER . . . . . . . . . . . . . 4.3 m -69.58 -40.33 76.78 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.677 -0.692 . . . . 0.88 110.311 175.655 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 89' ' ' ALA . . . . . 0.623 ' HA ' ' HG3' ' S' ' 83' ' ' MET . . . -60.31 -48.58 81.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.747 -0.66 . . . . 0.34999999999999998 111.334 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 90' ' ' GLU . . . . . 0.571 ' O ' ' HG2' ' S' ' 94' ' ' LYS . 4.1 pt-20 -72.18 -21.73 61.39 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.628 -0.429 . . . . 1.8500000000000001 111.028 -179.264 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 91' ' ' ARG . . . . . 0.403 ' HD3' ' O ' ' S' ' 58' ' ' PHE . 76.4 ttt180 -63.8 -37.88 89.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.102 0.477 . . . . 2.9199999999999999 109.788 174.759 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 92' ' ' ALA . . . . . . . . . . . . . . . -77.2 -27.11 53.41 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.831 -0.622 . . . . 0.46999999999999997 110.186 176.129 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 93' ' ' CYS . . . . . . . . . . . . . 17.8 t -83.78 -2.82 57.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.754 -0.657 . . . . 1.3500000000000001 110.629 -179.113 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 94' ' ' LYS . . . . . 0.571 ' HG2' ' O ' ' S' ' 90' ' ' GLU . 37.7 mmtm -60.94 -31.1 70.66 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.204 -0.453 . . . . 2.9500000000000002 110.809 175.442 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 95' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -115.46 95.02 41.85 Favored Pre-proline 0 C--N 1.329 -0.32 0 N-CA-C 109.33 -0.619 . . . . 2.1299999999999999 109.33 175.314 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 96' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -65.27 -32.64 50.93 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.851 2.368 . . . . 0.76000000000000001 113.45 -171.48 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 97' ' ' ASN . . . . . 0.426 ' HA ' ' O ' ' S' ' 105' ' ' ALA . 10.4 m120 -126.82 83.91 64.36 Favored Pre-proline 0 C--N 1.321 -0.635 0 CA-C-O 120.804 0.335 . . . . 1.0800000000000001 111.276 -177.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 98' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -88.65 157.87 6.33 Favored 'Trans proline' 0 N--CA 1.452 -0.953 0 C-N-CA 122.656 2.237 . . . . 0.53000000000000003 111.896 176.448 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 99' ' ' ILE . . . . . . . . . . . . . 49.8 mm -95.95 100.71 11.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-O 121.145 0.498 . . . . 0.51000000000000001 110.18 179.038 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 100' ' ' ILE . . . . . . . . . . . . . 54.9 mt -108.76 119.74 58.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.677 -0.692 . . . . 0.56999999999999995 109.813 -179.457 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 101' ' ' ASP . . . . . 0.441 ' OD2' ' HG2' ' S' ' 43' ' ' PRO . 39.1 t70 67.17 16.03 10.15 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 121.998 0.904 . . . . 1.3999999999999999 110.23 177.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 102' ' ' GLY . . . . . . . . . . . . . . . 89.08 6.15 72.12 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.734 -0.746 . . . . 0.81999999999999995 111.672 -177.37 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 103' ' ' ARG . . . . . . . . . . . . . 6.5 tpp180 -107.02 136.17 47.34 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.68 -0.489 . . . . 3.1099999999999999 109.68 -179.612 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 104' ' ' LYS . . . . . . . . . . . . . 58.1 tttm -76.41 97.69 4.35 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.295 -0.632 . . . . 1.98 109.295 177.265 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 105' ' ' ALA . . . . . 0.426 ' O ' ' HA ' ' S' ' 97' ' ' ASN . . . -87.43 164.08 16.39 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.095 -0.502 . . . . 0.33000000000000002 111.363 -173.759 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 106' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -121.07 110.64 16.48 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.952 -0.567 . . . . 1.99 109.754 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 107' ' ' VAL . . . . . . . . . . . . . 76.7 t -107.48 125.68 63.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.209 -0.45 . . . . 0.33000000000000002 110.417 -178.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 108' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -169.52 148.12 3.7 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.179 -0.464 . . . . 1.76 109.978 -178.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 109' ' ' LEU . . . . . . . . . . . . . 95.4 mt -62.9 132.98 53.92 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.844 0.354 . . . . 0.56999999999999995 110.955 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.59 -29.75 68.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.077 -0.51 . . . . 0.66000000000000003 111.965 -176.294 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 111' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -77.1 -27.6 54.2 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.605 -0.27 . . . . 1.25 110.821 -178.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 112' ' ' LEU . . . . . . . . . . . . . 81.4 mt -69.06 -42.41 76.31 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.855 0.359 . . . . 1.54 110.732 179.596 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 113' ' ' GLY . . . . . . . . . . . . . . . 161.65 86.94 0.06 OUTLIER Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.654 -0.784 . . . . 1.9399999999999999 112.024 -179.142 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 114' ' ' ALA . . . . . . . . . . . . . . . -79.13 120.52 23.77 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.791 0.329 . . . . 1.6200000000000001 110.427 178.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 115' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -111.36 99.43 43.9 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 115.934 -0.575 . . . . 5.2699999999999996 109.861 179.217 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 116' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -74.98 -173.3 1.52 Allowed 'Trans proline' 0 CA--C 1.532 0.401 0 C-N-CA 122.969 2.446 . . . . 2.96 112.656 -178.178 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 117' ' ' ARG . . . . . 0.441 ' C ' ' H ' ' S' ' 119' ' ' ASN . 7.3 ptm180 -54.76 152.88 6.61 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.749 -0.66 . . . . 4.5 111.441 177.803 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 118' ' ' THR . . . . . . . . . . . . . 11.3 t -75.28 33.1 0.1 Allowed 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 121.702 0.763 . . . . 6.2999999999999998 111.544 -177.073 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 119' ' ' ASN . . . . . 0.441 ' H ' ' C ' ' S' ' 117' ' ' ARG . 4.1 t-20 -164.69 81.98 0.38 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.678 -0.692 . . . . 6.9100000000000001 109.432 179.523 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 120' ' ' VAL . . . . . . . . . . . . . 48.0 t -99.64 -34.82 4.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.799 -0.637 . . . . 8.8900000000000006 109.49 176.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 121' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.078 0 CA-C-N 115.093 -0.958 . . . . 11.5 109.321 178.49 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.774 0 N-CA-C 112.02 -0.432 . . . . 11.029999999999999 112.02 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' S' S ' 26' ' ' ALA . . . . . . . . . . . . . . . 63.17 17.4 10.15 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 123.077 0.551 . . . . 9.4600000000000009 112.262 178.392 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 27' ' ' MET . . . . . . . . . . . . . 27.0 ptm -97.1 -14.85 21.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.065 0.46 . . . . 9.9100000000000001 110.551 -179.449 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 28' ' ' GLY . . . . . . . . . . . . . . . -169.31 76.14 0.11 Allowed Glycine 0 N--CA 1.448 -0.56 0 CA-C-N 115.635 -0.712 . . . . 5.7699999999999996 111.751 -179.406 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 29' ' ' SER . . . . . . . . . . . . . 30.1 m -150.24 -56.98 0.18 Allowed 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.201 -0.666 . . . . 4.4500000000000002 109.201 178.012 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 30' ' ' ARG . . . . . . . . . . . . . 62.6 mtm180 -126.14 155.09 42.24 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.348 -0.842 . . . . 7.0300000000000002 109.035 173.139 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 31' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -81.67 94.36 6.94 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.618 -0.512 . . . . 3.3900000000000001 109.618 174.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 32' ' ' THR . . . . . 0.589 HG22 HG21 ' S' ' 82' ' ' THR . 24.3 p -126.19 15.7 7.83 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.909 -0.587 . . . . 1.26 111.295 -177.408 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 15.4 tpt -75.27 -56.52 4.63 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.655 -0.418 . . . . 1.3899999999999999 111.223 -176.672 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 34' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -109.04 16.76 22.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.956 0.408 . . . . 0.96999999999999997 110.868 -177.598 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 35' ' ' THR . . . . . 0.516 ' O ' ' HA ' ' S' ' 82' ' ' THR . 14.8 p -117.28 -3.95 11.42 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.14 -0.482 . . . . 0.55000000000000004 110.72 -177.008 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 36' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -94.92 104.18 16.06 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.73 -0.668 . . . . 1.95 110.917 -174.446 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 37' ' ' ILE . . . . . 0.478 ' CG2' HG13 ' S' ' 107' ' ' VAL . 70.9 mt -93.42 136.82 24.11 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 115.232 -0.895 . . . . 0.40999999999999998 110.885 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 38' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -101.12 122.86 44.35 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.047 -0.524 . . . . 0.45000000000000001 109.601 175.162 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 39' ' ' VAL . . . . . 0.461 HG21 HD11 ' S' ' 51' ' ' LEU . 22.0 t -119.21 105.93 18.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 110.115 -0.328 . . . . 0.20000000000000001 110.115 178.21 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 40' ' ' GLY . . . . . . . . . . . . . . . -104.57 152.88 17.52 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.607 -0.806 . . . . 0.27000000000000002 112.592 -178.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 41' ' ' GLY . . . . . . . . . . . . . . . 99.6 33.12 5.45 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.949 -0.643 . . . . 0.48999999999999999 112.338 178.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 42' ' ' LEU . . . . . 0.597 ' O ' ' HA2' ' S' ' 77' ' ' GLY . 83.0 mt -103.66 133.79 20.09 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-O 120.995 0.426 . . . . 0.59999999999999998 111.561 -176.16 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 43' ' ' PRO . . . . . 0.694 ' HG3' ' HG3' ' S' ' 103' ' ' ARG . 22.7 Cg_exo -65.12 173.81 5.62 Favored 'Trans proline' 0 CA--C 1.532 0.388 0 C-N-CA 123.022 2.481 . . . . 0.55000000000000004 112.671 176.647 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 44' ' ' TYR . . . . . 0.446 ' HA ' ' HB2' ' S' ' 75' ' ' SER . 7.1 m-85 -78.6 -8.51 58.69 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.129 -0.487 . . . . 2.4100000000000001 111.756 -172.539 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 45' ' ' HIS . . . . . . . . . . . . . 27.0 p80 -101.73 -4.97 25.54 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.898 -0.321 . . . . 2.3100000000000001 110.717 -178.39 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 46' ' ' THR . . . . . 0.501 ' OG1' ' HD2' ' S' ' 43' ' ' PRO . 89.0 m -73.07 113.17 9.81 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-O 121.064 0.459 . . . . 0.53000000000000003 109.865 179.516 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 47' ' ' SER . . . . . . . . . . . . . 14.0 m -104.43 -175.52 2.82 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.518 -0.764 . . . . 0.68000000000000005 110.806 -174.505 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 48' ' ' ASP . . . . . . . . . . . . . 17.7 p-10 -63.66 -38.41 91.01 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.674 -0.694 . . . . 1.29 110.627 -179.039 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 49' ' ' LYS . . . . . 0.41 ' HG3' ' N ' ' S' ' 50' ' ' THR . 11.1 ptmt -64.33 -34.32 77.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 2.5 111.335 177.532 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 50' ' ' THR . . . . . 0.41 ' N ' ' HG3' ' S' ' 49' ' ' LYS . 1.0 OUTLIER -68.13 -54.32 18.86 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.016 0.436 . . . . 0.42999999999999999 110.55 -175.923 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' S' S ' 51' ' ' LEU . . . . . 0.461 HD11 HG21 ' S' ' 39' ' ' VAL . 16.8 tp -59.98 -40.0 87.64 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.728 -0.669 . . . . 0.46000000000000002 110.457 177.47 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 52' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -60.0 -52.76 64.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.6 -0.727 . . . . 0.55000000000000004 111.058 179.245 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 53' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -57.03 -44.15 82.59 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.123 -0.49 . . . . 2.2400000000000002 111.986 -175.323 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 54' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -68.51 -37.77 80.34 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.879 -0.329 . . . . 0.55000000000000004 111.32 -176.302 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 55' ' ' PHE . . . . . 0.437 ' HA ' ' HD2' ' S' ' 58' ' ' PHE . 24.1 m-85 -83.62 -19.56 35.24 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.047 0.388 . . . . 0.5 112.047 -177.729 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 56' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -56.68 -24.32 48.11 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.228 0.537 . . . . 1.47 110.794 178.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 57' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -63.61 -24.72 67.91 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.599 0.714 . . . . 2.98 111.171 178.59 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 58' ' ' PHE . . . . . 0.461 ' O ' ' HD3' ' S' ' 91' ' ' ARG . 29.7 m-85 -105.31 0.6 27.21 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 115.02 -0.991 . . . . 0.65000000000000002 111.679 -171.674 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 59' ' ' GLY . . . . . . . . . . . . . . . 140.83 -178.17 20.3 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.129 -1.034 . . . . 0.44 113.167 174.679 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 60' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -70.77 146.47 49.76 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 122.777 0.431 . . . . 1.99 110.908 179.083 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 61' ' ' ILE . . . . . 0.475 ' HA ' ' HA ' ' S' ' 83' ' ' MET . 74.4 mt -122.24 134.88 64.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.146 -0.479 . . . . 0.42999999999999999 111.18 -175.582 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 62' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -78.07 -57.11 3.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.098 0.475 . . . . 1.9099999999999999 110.564 176.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 63' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -152.57 116.66 4.89 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.955 -0.566 . . . . 1.8100000000000001 110.331 -174.648 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 64' ' ' ALA . . . . . . . . . . . . . . . -124.65 104.05 8.47 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.445 -0.343 . . . . 0.38 110.426 178.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 65' ' ' VAL . . . . . . . . . . . . . 34.9 m -125.24 136.11 61.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.243 0.544 . . . . 0.35999999999999999 111.283 -178.389 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 66' ' ' VAL . . . . . . . . . . . . . 59.7 t -89.58 118.57 35.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 N-CA-C 108.467 -0.938 . . . . 0.29999999999999999 108.467 172.497 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 67' ' ' ILE . . . . . . . . . . . . . 49.2 mm -68.59 122.89 20.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.15 0.5 . . . . 0.46999999999999997 110.974 -172.459 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 68' ' ' THR . . . . . . . . . . . . . 14.8 p -106.13 157.27 17.68 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.628 -0.715 . . . . 0.78000000000000003 111.048 -178.596 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 69' ' ' ASP . . . . . 0.401 ' O ' ' HA ' ' S' ' 73' ' ' GLN . 23.7 t70 -79.71 148.61 31.48 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.827 -0.624 . . . . 1.75 109.353 175.514 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 70' ' ' ARG . . . . . . . . . . . . . 49.2 mtp180 -76.69 -33.46 58.24 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 120.776 -0.37 . . . . 4.0199999999999996 111.47 -175.243 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 71' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 -79.14 -48.92 13.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.255 0.55 . . . . 2.6400000000000001 110.545 -175.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 72' ' ' THR . . . . . . . . . . . . . 34.6 p -91.56 -25.99 18.96 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.786 -0.643 . . . . 1.8400000000000001 112.114 -175.452 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 73' ' ' GLN . . . . . 0.401 ' HA ' ' O ' ' S' ' 69' ' ' ASP . 14.4 mm-40 64.3 21.18 12.44 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 116.051 -0.522 . . . . 2.3500000000000001 111.289 -176.705 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 74' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -101.67 153.92 19.34 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.036 -0.529 . . . . 2.77 110.031 174.513 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 75' ' ' SER . . . . . 0.446 ' HB2' ' HA ' ' S' ' 44' ' ' TYR . 10.5 m -59.19 137.48 57.95 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.028 -0.533 . . . . 1.51 110.886 -179.708 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 76' ' ' ARG . . . . . . . . . . . . . 63.6 mtp180 -81.21 7.45 11.24 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.382 -0.372 . . . . 2.54 111.0 -179.028 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 77' ' ' GLY . . . . . 0.597 ' HA2' ' O ' ' S' ' 42' ' ' LEU . . . 99.36 16.49 29.5 Favored Glycine 0 N--CA 1.451 -0.358 0 CA-C-N 115.995 -0.548 . . . . 0.53000000000000003 113.352 174.815 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 78' ' ' TYR . . . . . . . . . . . . . 40.6 p90 -164.34 162.18 22.16 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.686 0.279 . . . . 0.59999999999999998 110.7 -179.473 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 79' ' ' GLY . . . . . . . . . . . . . . . -143.61 164.78 27.33 Favored Glycine 0 N--CA 1.445 -0.706 0 N-CA-C 111.064 -0.814 . . . . 0.17000000000000001 111.064 176.717 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 80' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -119.91 135.82 54.75 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.836 0.35 . . . . 0.39000000000000001 110.994 -179.678 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 81' ' ' VAL . . . . . 0.458 ' HB ' ' HB ' ' S' ' 37' ' ' ILE . 19.1 t -118.2 111.58 34.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.047 -0.524 . . . . 0.23999999999999999 110.459 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 82' ' ' THR . . . . . 0.589 HG21 HG22 ' S' ' 32' ' ' THR . 31.1 m -97.65 103.37 15.3 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 108.36 -0.978 . . . . 0.29999999999999999 108.36 172.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 83' ' ' MET . . . . . 0.566 ' SD ' ' HA ' ' S' ' 89' ' ' ALA . 57.1 mtp -86.78 168.57 13.37 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 120.925 -0.31 . . . . 0.71999999999999997 110.572 -175.74 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.8 -53.04 57.93 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 123.857 0.723 . . . . 2.21 111.993 -178.052 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 85' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -136.3 161.89 34.52 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.27 -0.423 . . . . 1.8500000000000001 110.064 -177.027 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 86' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -60.97 -32.95 72.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.455 -0.339 . . . . 3.96 110.822 178.173 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.25 -40.49 96.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.925 0.393 . . . . 0.62 110.289 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 88' ' ' SER . . . . . . . . . . . . . 2.3 m -64.95 -50.19 67.38 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.38 -0.6 . . . . 0.88 109.38 175.321 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 89' ' ' ALA . . . . . 0.566 ' HA ' ' SD ' ' S' ' 83' ' ' MET . . . -51.74 -50.28 60.91 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 114.993 -1.003 . . . . 0.34999999999999998 112.342 177.674 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 90' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -69.01 -29.85 68.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.957 0.408 . . . . 1.8500000000000001 110.955 -178.595 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 91' ' ' ARG . . . . . 0.461 ' HD3' ' O ' ' S' ' 58' ' ' PHE . 63.2 ttt180 -61.45 -26.83 68.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.97 -0.559 . . . . 2.9199999999999999 109.791 174.405 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 92' ' ' ALA . . . . . . . . . . . . . . . -86.41 -32.32 20.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.865 -0.607 . . . . 0.46999999999999997 110.497 174.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 93' ' ' CYS . . . . . . . . . . . . . 47.0 t -74.15 -4.68 37.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.697 -0.683 . . . . 1.3500000000000001 111.57 -178.039 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 94' ' ' LYS . . . . . . . . . . . . . 27.5 mmtp -56.77 -40.95 76.77 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.59 -0.277 . . . . 2.9500000000000002 111.085 174.137 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 95' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -103.73 100.58 20.2 Favored Pre-proline 0 C--N 1.328 -0.348 0 N-CA-C 109.899 -0.408 . . . . 2.1299999999999999 109.899 176.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 96' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -68.99 -27.74 29.8 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.92 2.413 . . . . 0.76000000000000001 113.129 -175.722 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 97' ' ' ASN . . . . . . . . . . . . . 21.6 m120 -129.17 92.32 39.52 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-O 120.98 0.419 . . . . 1.0800000000000001 111.35 179.017 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 98' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -84.72 149.75 11.24 Favored 'Trans proline' 0 N--CA 1.452 -0.932 0 C-N-CA 123.101 2.534 . . . . 0.53000000000000003 112.058 175.425 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 99' ' ' ILE . . . . . . . . . . . . . 49.5 mm -95.61 91.78 3.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 121.184 0.516 . . . . 0.51000000000000001 109.769 177.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 100' ' ' ILE . . . . . . . . . . . . . 60.5 mt -101.67 118.67 48.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.92 -0.582 . . . . 0.56999999999999995 110.159 -178.386 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 101' ' ' ASP . . . . . . . . . . . . . 37.6 t70 66.43 16.68 10.49 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 121.857 0.837 . . . . 1.3999999999999999 110.39 -179.103 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 102' ' ' GLY . . . . . . . . . . . . . . . 86.75 -2.3 87.2 Favored Glycine 0 N--CA 1.45 -0.394 0 CA-C-N 115.729 -0.669 . . . . 0.81999999999999995 111.62 -177.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 103' ' ' ARG . . . . . 0.694 ' HG3' ' HG3' ' S' ' 43' ' ' PRO . 18.9 mmt180 -93.6 139.09 31.17 Favored 'General case' 0 N--CA 1.444 -0.747 0 N-CA-C 109.511 -0.551 . . . . 3.1099999999999999 109.511 -179.643 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 104' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -78.8 99.7 6.81 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.164 0.506 . . . . 1.98 110.07 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 105' ' ' ALA . . . . . . . . . . . . . . . -88.73 166.62 13.93 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.419 -0.81 . . . . 0.33000000000000002 110.285 -178.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 106' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -133.49 123.7 25.7 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.176 -0.466 . . . . 1.99 109.791 177.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 107' ' ' VAL . . . . . 0.478 HG13 ' CG2' ' S' ' 37' ' ' ILE . 79.0 t -109.34 127.21 66.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.264 -0.88 . . . . 0.33000000000000002 110.208 -179.275 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 108' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -149.68 173.58 13.52 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.034 -0.728 . . . . 1.76 109.034 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 109' ' ' LEU . . . . . 0.453 HD13 ' HE2' ' S' ' 111' ' ' TYR . 97.8 mt -93.36 124.03 37.07 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.861 -0.422 . . . . 0.56999999999999995 109.861 178.598 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.99 -30.34 70.88 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.906 0.706 . . . . 0.66000000000000003 112.906 -169.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 111' ' ' TYR . . . . . 0.453 ' HE2' HD13 ' S' ' 109' ' ' LEU . 15.9 p90 -68.88 -13.56 62.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.619 0.247 . . . . 1.25 111.37 -175.765 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 112' ' ' LEU . . . . . . . . . . . . . 96.6 mt -81.19 -12.07 59.27 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.543 -0.298 . . . . 1.54 110.853 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 113' ' ' GLY . . . . . . . . . . . . . . . 115.23 77.97 0.74 Allowed Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.749 -0.739 . . . . 1.9399999999999999 112.09 -178.625 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 114' ' ' ALA . . . . . . . . . . . . . . . -83.01 122.49 28.37 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.868 0.366 . . . . 1.6200000000000001 110.889 -179.389 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 115' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -95.75 114.53 64.21 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 116.247 -0.433 . . . . 5.2699999999999996 110.112 177.36 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 116' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -73.64 178.38 6.82 Favored 'Trans proline' 0 N--CA 1.46 -0.443 0 C-N-CA 122.68 2.253 . . . . 2.96 112.34 177.341 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 117' ' ' ARG . . . . . . . . . . . . . 37.5 ttt180 -64.37 -47.54 78.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.05 -0.523 . . . . 4.5 111.04 -178.492 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 118' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -106.64 96.84 6.74 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.894 0.378 . . . . 6.2999999999999998 110.962 -177.469 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 119' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -118.84 96.26 5.18 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.224 -0.658 . . . . 6.9100000000000001 109.224 177.198 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 120' ' ' VAL . . . . . . . . . . . . . 11.7 t -130.03 55.87 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.836 -0.62 . . . . 8.8900000000000006 110.187 -176.068 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 121' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 . . . . . 0 C--O 1.25 1.13 0 CA-C-O 118.352 -0.833 . . . . 11.5 109.188 178.788 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' S' S ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.042 0 CA-C-O 120.158 -0.246 . . . . 11.029999999999999 112.858 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' S' S ' 26' ' ' ALA . . . . . . . . . . . . . . . 57.82 -97.77 0.08 Allowed 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 123.132 0.573 . . . . 9.4600000000000009 111.99 179.473 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 27' ' ' MET . . . . . . . . . . . . . 72.2 mtm -127.32 64.89 1.32 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.404 0.621 . . . . 9.9100000000000001 109.824 177.553 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 28' ' ' GLY . . . . . . . . . . . . . . . -163.89 147.18 12.46 Favored Glycine 0 N--CA 1.442 -0.9 0 N-CA-C 110.529 -1.028 . . . . 5.7699999999999996 110.529 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 29' ' ' SER . . . . . . . . . . . . . 24.0 m -61.59 -71.13 0.16 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.739 0.27 . . . . 4.4500000000000002 111.291 -176.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 30' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' S' ' 30' ' ' ARG . 14.4 ptt180 -127.01 132.15 50.83 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.651 -0.42 . . . . 7.0300000000000002 111.638 -179.265 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 31' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -105.0 118.03 35.49 Favored 'General case' 0 CA--C 1.51 -0.573 0 N-CA-C 108.979 -0.749 . . . . 3.3900000000000001 108.979 164.576 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 32' ' ' THR . . . . . 0.495 HG22 ' HD2' ' S' ' 36' ' ' LYS . 0.2 OUTLIER -118.54 12.25 13.14 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 109.306 -0.627 . . . . 1.26 109.306 178.239 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 87.8 mtp -83.9 -56.63 3.58 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.591 -0.731 . . . . 1.3899999999999999 110.932 -177.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 34' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -97.16 4.69 51.06 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.148 -0.478 . . . . 0.96999999999999997 111.624 -171.584 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 35' ' ' THR . . . . . . . . . . . . . 20.8 p -114.06 -18.09 11.78 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.444 -0.344 . . . . 0.55000000000000004 111.584 -178.207 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 36' ' ' LYS . . . . . 0.495 ' HD2' HG22 ' S' ' 32' ' ' THR . 34.2 tttp -97.42 110.71 23.21 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.168 0.509 . . . . 1.95 110.709 -175.456 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 37' ' ' ILE . . . . . 0.476 ' CG2' HG13 ' S' ' 107' ' ' VAL . 74.1 mt -98.06 136.04 30.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.335 -0.848 . . . . 0.40999999999999998 110.901 -178.197 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 38' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -100.39 128.35 46.48 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.936 -0.574 . . . . 0.45000000000000001 109.461 175.002 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 39' ' ' VAL . . . . . . . . . . . . . 31.9 t -119.41 104.03 15.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.498 -0.319 . . . . 0.20000000000000001 110.291 179.277 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 40' ' ' GLY . . . . . . . . . . . . . . . -105.07 152.53 17.3 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.666 -0.778 . . . . 0.27000000000000002 112.179 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 41' ' ' GLY . . . . . . . . . . . . . . . 99.62 40.71 3.1 Favored Glycine 0 C--O 1.23 -0.134 0 C-N-CA 120.918 -0.658 . . . . 0.48999999999999999 112.207 178.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 42' ' ' LEU . . . . . 0.467 ' O ' ' HA2' ' S' ' 77' ' ' GLY . 92.4 mt -113.3 135.36 21.81 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-O 120.629 0.252 . . . . 0.59999999999999998 110.471 -178.059 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 43' ' ' PRO . . . . . 0.617 ' HD2' ' OG1' ' S' ' 46' ' ' THR . 16.7 Cg_exo -66.44 170.63 11.89 Favored 'Trans proline' 0 N--CA 1.462 -0.333 0 C-N-CA 122.652 2.235 . . . . 0.55000000000000004 112.213 175.345 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 44' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -71.36 -16.05 62.41 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.841 -0.618 . . . . 2.4100000000000001 110.348 -178.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 45' ' ' HIS . . . . . . . . . . . . . 11.2 m80 -82.73 -17.16 45.3 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.339 -0.846 . . . . 2.3100000000000001 110.415 -177.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 46' ' ' THR . . . . . 0.617 ' OG1' ' HD2' ' S' ' 43' ' ' PRO . 59.2 m -79.27 112.34 16.41 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-N 115.895 -0.593 . . . . 0.53000000000000003 109.474 -175.274 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 47' ' ' SER . . . . . 0.501 ' HB2' ' HG2' ' S' ' 49' ' ' LYS . 15.5 m -95.27 173.45 7.53 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.845 -0.616 . . . . 0.68000000000000005 110.051 -178.184 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 48' ' ' ASP . . . . . 0.598 ' HB2' ' O ' ' S' ' 64' ' ' ALA . 7.3 p-10 -61.63 -35.28 77.46 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.05 -0.523 . . . . 1.29 110.517 178.836 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 49' ' ' LYS . . . . . 0.501 ' HG2' ' HB2' ' S' ' 47' ' ' SER . 61.9 pttt -60.32 -37.4 80.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.951 -0.568 . . . . 2.5 110.888 175.784 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 50' ' ' THR . . . . . . . . . . . . . 1.3 m -68.7 -45.34 71.88 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-O 121.187 0.518 . . . . 0.42999999999999999 110.176 -177.483 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 51' ' ' LEU . . . . . . . . . . . . . 17.0 tp -60.1 -45.72 92.01 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.612 -0.722 . . . . 0.46000000000000002 110.403 176.352 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 52' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -60.21 -47.89 84.05 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.922 -0.581 . . . . 0.55000000000000004 110.687 178.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 53' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -50.56 -45.0 56.83 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.703 -0.681 . . . . 2.2400000000000002 111.452 -178.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 54' ' ' TYR . . . . . 0.482 ' OH ' ' HB3' ' S' ' 98' ' ' PRO . 87.2 t80 -73.02 -37.4 66.94 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.067 -0.515 . . . . 0.55000000000000004 111.986 -176.349 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 55' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -85.75 -20.5 29.18 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 113.873 1.064 . . . . 0.5 113.873 -172.246 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 56' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -58.8 -20.45 50.15 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 121.167 0.508 . . . . 1.47 111.453 -179.029 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 57' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -64.3 -29.07 70.16 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.374 0.607 . . . . 2.98 111.194 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 58' ' ' PHE . . . . . 0.417 ' O ' ' HD3' ' S' ' 91' ' ' ARG . 31.6 m-85 -98.48 -11.11 22.64 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.249 -0.887 . . . . 0.65000000000000002 111.753 -170.536 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 59' ' ' GLY . . . . . . . . . . . . . . . 159.61 -165.21 34.43 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.284 -0.96 . . . . 0.44 112.524 178.276 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 60' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -88.27 142.17 27.96 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.893 -0.41 . . . . 1.99 109.893 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 61' ' ' ILE . . . . . . . . . . . . . 57.1 mt -118.76 134.28 62.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.017 -0.538 . . . . 0.42999999999999999 110.542 -175.404 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 62' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -98.25 -36.32 10.06 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.128 0.489 . . . . 1.9099999999999999 110.614 176.255 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 63' ' ' GLU . . . . . 0.472 ' HB3' ' HB ' ' S' ' 82' ' ' THR . 30.5 tt0 -136.51 131.68 34.26 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.028 -0.533 . . . . 1.8100000000000001 110.444 -177.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 64' ' ' ALA . . . . . 0.598 ' O ' ' HB2' ' S' ' 48' ' ' ASP . . . -153.48 100.7 2.44 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.898 -0.408 . . . . 0.38 109.898 176.049 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 65' ' ' VAL . . . . . 0.484 ' HA ' ' HB3' ' S' ' 48' ' ' ASP . 29.4 m -136.97 142.93 36.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 111.766 0.284 . . . . 0.35999999999999999 111.766 -177.063 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 66' ' ' VAL . . . . . . . . . . . . . 98.0 t -94.98 117.39 38.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 108.646 -0.872 . . . . 0.29999999999999999 108.646 171.038 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 67' ' ' ILE . . . . . . . . . . . . . 48.4 mm -69.56 132.14 33.39 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 CA-C-O 121.488 0.661 . . . . 0.46999999999999997 112.036 -169.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 68' ' ' THR . . . . . . . . . . . . . 21.0 p -106.4 151.46 24.87 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 114.851 -1.068 . . . . 0.78000000000000003 110.179 179.087 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 69' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -70.31 138.43 51.49 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.374 -0.376 . . . . 1.75 110.026 177.384 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 70' ' ' ARG . . . . . . . . . . . . . 68.3 mtp180 -74.3 -18.23 60.74 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 111.769 0.285 . . . . 4.0199999999999996 111.769 -173.061 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 71' ' ' ASN . . . . . . . . . . . . . 40.7 t-20 -95.19 -56.04 2.86 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.013 0.435 . . . . 2.6400000000000001 110.677 -178.541 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 72' ' ' THR . . . . . . . . . . . . . 39.7 p -85.82 -23.63 27.08 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.525 0.565 . . . . 1.8400000000000001 112.525 -174.457 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 73' ' ' GLN . . . . . . . . . . . . . 21.0 mm-40 69.71 25.3 5.18 Favored 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 112.204 0.446 . . . . 2.3500000000000001 112.204 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 74' ' ' LYS . . . . . . . . . . . . . 56.0 mttp -106.77 155.15 20.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.289 -0.414 . . . . 2.77 109.885 172.674 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 75' ' ' SER . . . . . . . . . . . . . 7.3 m -63.87 138.01 58.29 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.455 -0.339 . . . . 1.51 111.207 -177.634 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 76' ' ' ARG . . . . . . . . . . . . . 51.4 mtt180 -83.43 -15.96 47.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.342 -0.39 . . . . 2.54 111.935 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 77' ' ' GLY . . . . . 0.467 ' HA2' ' O ' ' S' ' 42' ' ' LEU . . . 107.44 29.43 4.48 Favored Glycine 0 CA--C 1.518 0.24 0 C-N-CA 120.302 -0.951 . . . . 0.53000000000000003 113.797 174.319 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 78' ' ' TYR . . . . . . . . . . . . . 50.9 p90 -164.21 164.03 22.69 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.934 -0.395 . . . . 0.59999999999999998 109.934 178.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 79' ' ' GLY . . . . . . . . . . . . . . . -140.89 162.85 26.68 Favored Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 121.034 -0.603 . . . . 0.17000000000000001 112.167 179.637 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 80' ' ' PHE . . . . . 0.424 ' O ' ' HA ' ' S' ' 64' ' ' ALA . 37.3 m-85 -117.24 137.66 52.24 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.656 0.265 . . . . 0.39000000000000001 110.665 177.43 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 81' ' ' VAL . . . . . 0.441 ' HA ' ' O ' ' S' ' 63' ' ' GLU . 21.9 t -128.09 115.3 38.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.158 -0.474 . . . . 0.23999999999999999 110.357 177.815 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 82' ' ' THR . . . . . 0.472 ' HB ' ' HB3' ' S' ' 63' ' ' GLU . 40.1 m -100.29 114.32 27.71 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.98 -0.748 . . . . 0.29999999999999999 108.98 176.164 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 83' ' ' MET . . . . . 0.665 ' HG3' ' HA ' ' S' ' 89' ' ' ALA . 96.2 mmm -84.54 163.01 19.63 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.797 -0.638 . . . . 0.71999999999999997 111.584 -172.794 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 84' ' ' LYS . . . . . . . . . . . . . 66.3 tttt -57.23 -43.91 83.31 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.7 -1.136 . . . . 2.21 111.895 177.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 85' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -153.92 -176.21 5.74 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.457 -0.571 . . . . 1.8500000000000001 109.457 -177.14 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 86' ' ' ARG . . . . . 0.505 ' O ' ' HG3' ' S' ' 90' ' ' GLU . 22.4 ttp180 -76.93 -33.32 57.73 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.561 -0.456 . . . . 3.96 111.133 -175.11 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.05 -44.91 87.48 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.763 0.316 . . . . 0.62 110.361 -177.473 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 88' ' ' SER . . . . . . . . . . . . . 8.3 p -67.08 -38.17 85.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.373 -0.376 . . . . 0.88 110.189 177.403 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 89' ' ' ALA . . . . . 0.665 ' HA ' ' HG3' ' S' ' 83' ' ' MET . . . -59.77 -48.3 82.21 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.818 -0.628 . . . . 0.34999999999999998 111.447 175.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 90' ' ' GLU . . . . . 0.505 ' HG3' ' O ' ' S' ' 86' ' ' ARG . 78.1 mt-10 -64.41 -32.74 74.49 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 120.831 0.348 . . . . 1.8500000000000001 111.211 -179.62 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 91' ' ' ARG . . . . . 0.417 ' HD3' ' O ' ' S' ' 58' ' ' PHE . 57.3 ttt180 -69.07 -29.29 67.38 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.179 -0.464 . . . . 2.9199999999999999 110.272 179.035 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 92' ' ' ALA . . . . . . . . . . . . . . . -84.16 -42.7 15.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.46999999999999997 110.487 176.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 93' ' ' CYS . . . . . . . . . . . . . 13.0 t -80.54 3.72 20.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.05 -0.523 . . . . 1.3500000000000001 110.338 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 94' ' ' LYS . . . . . . . . . . . . . 15.9 tptp -56.44 -37.9 70.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.356 -0.838 . . . . 2.9500000000000002 110.452 176.187 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 95' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -120.69 102.13 45.04 Favored Pre-proline 0 C--N 1.319 -0.742 0 CA-C-N 115.977 -0.556 . . . . 2.1299999999999999 109.798 174.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 96' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.8 -6.56 19.39 Favored 'Trans proline' 0 C--N 1.343 0.255 0 C-N-CA 122.875 2.383 . . . . 0.76000000000000001 112.667 -176.171 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 97' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -127.07 77.17 75.6 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 120.939 0.4 . . . . 1.0800000000000001 111.029 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 98' ' ' PRO . . . . . 0.482 ' HB3' ' OH ' ' S' ' 54' ' ' TYR . 4.5 Cg_exo -81.88 163.41 18.3 Favored 'Trans proline' 0 N--CA 1.456 -0.696 0 C-N-CA 123.214 2.609 . . . . 0.53000000000000003 111.279 175.316 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 99' ' ' ILE . . . . . . . . . . . . . 48.8 mm -110.16 103.05 14.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-O 121.056 0.455 . . . . 0.51000000000000001 109.857 179.086 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 100' ' ' ILE . . . . . . . . . . . . . 62.2 mt -118.96 129.97 74.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 109.215 -0.661 . . . . 0.56999999999999995 109.215 -178.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 101' ' ' ASP . . . . . . . . . . . . . 29.5 t70 66.15 14.62 9.73 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 122.0 0.905 . . . . 1.3999999999999999 109.957 -177.189 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 102' ' ' GLY . . . . . . . . . . . . . . . 83.27 1.05 90.42 Favored Glycine 0 N--CA 1.449 -0.468 0 CA-C-N 115.544 -0.753 . . . . 0.81999999999999995 111.627 -175.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 103' ' ' ARG . . . . . 0.517 ' NE ' ' HG3' ' S' ' 43' ' ' PRO . 55.6 mtt180 -99.64 157.23 16.61 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 110.226 -0.287 . . . . 3.1099999999999999 110.226 -179.783 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 104' ' ' LYS . . . . . . . . . . . . . 52.9 tttm -87.72 109.59 19.82 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.116 0.484 . . . . 1.98 110.342 177.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 105' ' ' ALA . . . . . . . . . . . . . . . -89.77 165.46 14.15 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.785 -0.643 . . . . 0.33000000000000002 111.008 -177.346 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 106' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -124.0 110.22 14.51 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.15 -0.477 . . . . 1.99 109.933 179.305 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 107' ' ' VAL . . . . . 0.476 HG13 ' CG2' ' S' ' 37' ' ' ILE . 54.4 t -110.9 126.99 68.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.848 -0.615 . . . . 0.33000000000000002 110.57 -178.169 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 108' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -160.69 146.28 14.71 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.989 -0.551 . . . . 1.76 110.455 -177.089 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 109' ' ' LEU . . . . . 0.426 HD23 HG12 ' S' ' 37' ' ' ILE . 97.7 mt -63.79 128.51 36.13 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-O 121.154 0.502 . . . . 0.56999999999999995 110.953 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.31 -20.06 63.88 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.971 0.73 . . . . 0.66000000000000003 112.971 -169.67 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 111' ' ' TYR . . . . . . . . . . . . . 15.0 p90 -60.75 -24.83 66.04 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 120.587 0.232 . . . . 1.25 111.619 -174.1 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 112' ' ' LEU . . . . . . . . . . . . . 84.1 mt -62.97 -28.66 70.24 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.393 -0.367 . . . . 1.54 111.122 -179.234 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 113' ' ' GLY . . . . . . . . . . . . . . . 131.53 52.6 0.09 OUTLIER Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.813 -0.708 . . . . 1.9399999999999999 111.918 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 114' ' ' ALA . . . . . . . . . . . . . . . -82.41 97.42 8.36 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.741 0.305 . . . . 1.6200000000000001 111.521 -176.315 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 115' ' ' LYS . . . . . . . . . . . . . 16.2 pttm -108.36 143.05 26.66 Favored Pre-proline 0 C--N 1.326 -0.441 0 N-CA-C 109.743 -0.466 . . . . 5.2699999999999996 109.743 173.08 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 116' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -78.89 -172.5 1.55 Allowed 'Trans proline' 0 N--CA 1.458 -0.56 0 C-N-CA 122.576 2.184 . . . . 2.96 112.714 -178.361 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 117' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -59.58 142.51 52.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.735 -0.666 . . . . 4.5 111.084 178.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 118' ' ' THR . . . . . . . . . . . . . 40.1 p -106.95 -29.8 9.24 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.214 0.531 . . . . 6.2999999999999998 110.057 177.527 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 119' ' ' ASN . . . . . . . . . . . . . 5.6 t30 67.97 85.18 0.14 Allowed 'General case' 0 C--O 1.233 0.19 0 CA-C-N 114.537 -1.21 . . . . 6.9100000000000001 110.354 -179.016 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 120' ' ' VAL . . . . . . . . . . . . . 51.9 t 69.08 88.57 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 CA-C-N 115.149 -0.932 . . . . 8.8900000000000006 111.094 -178.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 121' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.167 0 CA-C-N 115.01 -0.996 . . . . 11.5 110.485 178.682 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.652 0 N-CA-C 111.747 -0.541 . . . . 11.029999999999999 111.747 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' S' S ' 26' ' ' ALA . . . . . . . . . . . . . . . -114.74 137.63 51.69 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.714 0.292 . . . . 9.4600000000000009 111.26 -177.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -134.5 140.15 45.97 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.173 -0.677 . . . . 9.9100000000000001 109.173 175.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.3 44.51 34.3 Favored Glycine 0 N--CA 1.45 -0.377 0 N-CA-C 110.607 -0.997 . . . . 5.7699999999999996 110.607 -176.018 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 29' ' ' SER . . . . . . . . . . . . . 11.0 p -85.79 177.9 7.5 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.479 0.657 . . . . 4.4500000000000002 112.044 -174.002 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 30' ' ' ARG . . . . . . . . . . . . . 30.3 ptt180 -63.47 119.44 9.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.167 -0.924 . . . . 7.0300000000000002 110.599 176.662 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 31' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -87.24 116.95 25.67 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.423 0.63 . . . . 3.3900000000000001 111.482 179.657 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 32' ' ' THR . . . . . 0.475 ' HA ' ' OG1' ' S' ' 35' ' ' THR . 1.0 OUTLIER -127.74 13.78 6.92 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.072 -0.967 . . . . 1.26 108.983 170.56 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' S' S ' 33' ' ' MET . . . . . 0.589 ' HB3' ' HB3' ' S' ' 111' ' ' TYR . 58.3 mtm -84.63 -44.36 13.54 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.084 -0.962 . . . . 1.3899999999999999 110.036 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 34' ' ' PHE . . . . . 0.437 ' HB3' ' NH1' ' S' ' 86' ' ' ARG . 82.2 m-85 -94.76 -1.7 52.42 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.459 -0.791 . . . . 0.96999999999999997 111.46 -176.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 35' ' ' THR . . . . . 0.475 ' OG1' ' HA ' ' S' ' 32' ' ' THR . 7.3 p -114.54 -11.92 12.35 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.079 0.399 . . . . 0.55000000000000004 112.079 -176.645 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 36' ' ' LYS . . . . . . . . . . . . . 27.7 tttp -105.69 114.82 29.2 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.288 0.566 . . . . 1.95 110.495 -178.403 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 37' ' ' ILE . . . . . . . . . . . . . 69.2 mt -94.96 135.39 29.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 115.228 -0.896 . . . . 0.40999999999999998 110.986 -178.328 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 38' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -98.9 120.71 39.79 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.965 -0.754 . . . . 0.45000000000000001 108.965 175.663 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 39' ' ' VAL . . . . . 0.527 HG21 HD11 ' S' ' 51' ' ' LEU . 20.2 t -113.86 99.58 8.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 120.773 0.32 . . . . 0.20000000000000001 110.16 -179.454 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 40' ' ' GLY . . . . . . . . . . . . . . . -106.18 154.13 16.94 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.692 -0.766 . . . . 0.27000000000000002 112.256 -178.092 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 41' ' ' GLY . . . . . . . . . . . . . . . 99.11 24.31 10.54 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.788 -0.72 . . . . 0.48999999999999999 112.026 178.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 42' ' ' LEU . . . . . 0.401 ' HA ' ' HD3' ' S' ' 43' ' ' PRO . 92.2 mt -91.72 137.64 25.47 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-O 120.6 0.238 . . . . 0.59999999999999998 110.591 -177.834 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 43' ' ' PRO . . . . . 0.556 ' HD2' ' OG1' ' S' ' 46' ' ' THR . 14.5 Cg_exo -68.4 164.86 31.02 Favored 'Trans proline' 0 N--CA 1.459 -0.541 0 C-N-CA 122.579 2.186 . . . . 0.55000000000000004 111.539 173.376 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 44' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -65.99 -20.49 66.21 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.101 0.477 . . . . 2.4100000000000001 110.85 -178.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 45' ' ' HIS . . . . . . . . . . . . . 4.0 m80 -83.52 -4.9 58.95 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.358 -0.837 . . . . 2.3100000000000001 110.177 -175.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 46' ' ' THR . . . . . 0.556 ' OG1' ' HD2' ' S' ' 43' ' ' PRO . 78.7 m -95.95 109.51 21.87 Favored 'General case' 0 N--CA 1.439 -1.022 0 N-CA-C 109.292 -0.633 . . . . 0.53000000000000003 109.292 -176.663 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 47' ' ' SER . . . . . . . . . . . . . 14.5 m -101.54 -175.51 2.88 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.98 -0.554 . . . . 0.68000000000000005 110.411 -176.139 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 48' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -55.93 -41.82 75.2 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.168 -0.924 . . . . 1.29 110.882 177.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 49' ' ' LYS . . . . . . . . . . . . . 24.0 pttm -59.84 -40.35 88.19 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.027 -0.533 . . . . 2.5 111.298 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 50' ' ' THR . . . . . . . . . . . . . 4.3 m -67.72 -49.21 63.8 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-O 121.265 0.555 . . . . 0.42999999999999999 110.394 -178.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 51' ' ' LEU . . . . . 0.527 HD11 HG21 ' S' ' 39' ' ' VAL . 29.5 tp -60.98 -41.63 96.8 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.404 -0.817 . . . . 0.46000000000000002 110.802 178.201 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 52' ' ' HIS . . . . . . . . . . . . . 39.8 t-80 -61.64 -48.51 80.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.532 -0.758 . . . . 0.55000000000000004 111.16 -179.496 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 53' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -57.55 -49.48 76.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.532 -0.303 . . . . 2.2400000000000002 111.585 -177.032 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 54' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -65.43 -40.09 92.9 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.533 -0.303 . . . . 0.55000000000000004 111.582 -174.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 55' ' ' PHE . . . . . 0.542 ' HA ' ' HD2' ' S' ' 58' ' ' PHE . 33.9 m-85 -84.64 -20.57 31.12 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.295 0.48 . . . . 0.5 112.295 -174.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 56' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -60.46 -26.31 66.67 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 121.283 0.563 . . . . 1.47 110.076 176.43 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 57' ' ' GLN . . . . . . . . . . . . . 16.6 tp60 -57.8 -32.56 67.68 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.528 -0.76 . . . . 2.98 110.845 174.212 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 58' ' ' PHE . . . . . 0.542 ' HD2' ' HA ' ' S' ' 55' ' ' PHE . 75.2 m-85 -91.54 -1.51 57.48 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.436 -0.347 . . . . 0.65000000000000002 111.699 -174.48 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 59' ' ' GLY . . . . . . . . . . . . . . . 143.07 -171.24 25.03 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.516 -0.85 . . . . 0.44 112.961 176.431 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 60' ' ' ASP . . . . . 0.589 ' OD1' ' HE2' ' S' ' 84' ' ' LYS . 11.7 m-20 -76.76 136.56 39.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.842 0.353 . . . . 1.99 110.512 -179.436 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 61' ' ' ILE . . . . . 0.672 HG21 ' HB2' ' S' ' 64' ' ' ALA . 56.0 mt -111.34 138.37 40.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.949 -0.568 . . . . 0.42999999999999999 110.246 -178.338 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 62' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -102.44 -26.51 13.23 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.446 -0.343 . . . . 1.9099999999999999 111.254 177.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 63' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -149.35 115.7 5.81 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.604 -0.271 . . . . 1.8100000000000001 110.658 178.333 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 64' ' ' ALA . . . . . 0.672 ' HB2' HG21 ' S' ' 61' ' ' ILE . . . -137.13 103.18 5.05 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.769 0.319 . . . . 0.38 110.364 177.493 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 65' ' ' VAL . . . . . . . . . . . . . 16.3 m -142.21 139.74 29.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.084 -0.507 . . . . 0.35999999999999999 110.867 -179.364 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 66' ' ' VAL . . . . . . . . . . . . . 60.0 t -90.36 121.46 40.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 108.063 -1.088 . . . . 0.29999999999999999 108.063 170.146 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 67' ' ' ILE . . . . . . . . . . . . . 50.1 mm -68.3 130.24 33.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.115 0.483 . . . . 0.46999999999999997 111.912 -167.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 68' ' ' THR . . . . . . . . . . . . . 27.1 p -104.02 142.49 34.36 Favored 'General case' 0 N--CA 1.441 -0.875 0 CA-C-N 115.312 -0.858 . . . . 0.78000000000000003 109.486 178.577 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 69' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -65.95 151.67 46.26 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 120.907 -0.317 . . . . 1.75 110.576 178.732 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 70' ' ' ARG . . . . . . . . . . . . . 54.2 mtm180 -76.46 -23.82 53.88 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.773 0.321 . . . . 4.0199999999999996 111.183 -175.625 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 71' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -92.75 -43.57 8.97 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.746 0.308 . . . . 2.6400000000000001 110.729 -174.403 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 72' ' ' THR . . . . . . . . . . . . . 22.5 p -99.98 -25.14 14.42 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.342 0.497 . . . . 1.8400000000000001 112.342 -176.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 73' ' ' GLN . . . . . . . . . . . . . 76.2 mm-40 60.28 37.27 20.49 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.42 0.629 . . . . 2.3500000000000001 110.891 -175.008 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 74' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -114.55 161.83 17.52 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.444 -0.798 . . . . 2.77 109.235 174.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 75' ' ' SER . . . . . . . . . . . . . 45.7 t -59.98 137.85 57.99 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.022 0.439 . . . . 1.51 111.824 -177.4 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 76' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -92.76 3.76 55.03 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.976 -0.557 . . . . 2.54 111.395 177.187 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 77' ' ' GLY . . . . . . . . . . . . . . . 90.63 13.75 59.22 Favored Glycine 0 CA--C 1.52 0.378 0 C-N-CA 120.426 -0.892 . . . . 0.53000000000000003 113.571 174.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 78' ' ' TYR . . . . . . . . . . . . . 29.1 p90 -156.35 156.35 33.77 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.884 0.373 . . . . 0.59999999999999998 110.771 177.107 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 79' ' ' GLY . . . . . . . . . . . . . . . -136.42 162.43 25.11 Favored Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 121.102 -0.571 . . . . 0.17000000000000001 111.934 178.653 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 80' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -113.64 136.16 53.13 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 122.812 -0.228 . . . . 0.39000000000000001 110.46 178.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 81' ' ' VAL . . . . . . . . . . . . . 56.3 t -123.2 116.48 48.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.048 -0.524 . . . . 0.23999999999999999 110.061 177.002 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 82' ' ' THR . . . . . . . . . . . . . 29.3 m -105.83 114.5 28.69 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.149 -0.478 . . . . 0.29999999999999999 109.776 179.068 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 83' ' ' MET . . . . . 0.623 ' HG3' ' HA ' ' S' ' 89' ' ' ALA . 92.3 mmm -87.25 170.38 11.5 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 123.783 0.677 . . . . 0.71999999999999997 110.744 -176.331 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 84' ' ' LYS . . . . . 0.589 ' HE2' ' OD1' ' S' ' 60' ' ' ASP . 0.0 OUTLIER -85.08 -18.23 34.95 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.903 0.334 . . . . 2.21 111.903 -176.146 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' S' S ' 85' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -158.8 177.35 11.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.787 0.327 . . . . 1.8500000000000001 110.581 -179.383 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 86' ' ' ARG . . . . . 0.437 ' NH1' ' HB3' ' S' ' 34' ' ' PHE . 23.9 tpt180 -73.15 -40.83 64.55 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.848 -0.614 . . . . 3.96 112.015 -174.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.63 -42.7 98.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.775 0.322 . . . . 0.62 111.128 -174.592 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 88' ' ' SER . . . . . . . . . . . . . 32.6 p -70.68 -37.65 73.65 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.788 0.327 . . . . 0.88 110.353 178.074 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 89' ' ' ALA . . . . . 0.623 ' HA ' ' HG3' ' S' ' 83' ' ' MET . . . -59.44 -51.76 68.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.815 -0.63 . . . . 0.34999999999999998 111.626 178.194 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 90' ' ' GLU . . . . . 0.537 ' O ' ' HG2' ' S' ' 94' ' ' LYS . 11.5 pt-20 -74.53 -22.24 59.13 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.521 -0.472 . . . . 1.8500000000000001 110.803 -179.063 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 91' ' ' ARG . . . . . . . . . . . . . 40.8 ttp180 -66.37 -32.36 73.69 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.818 -0.438 . . . . 2.9199999999999999 109.818 174.713 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 92' ' ' ALA . . . . . . . . . . . . . . . -77.51 -34.03 54.16 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.939 -0.573 . . . . 0.46999999999999997 109.891 174.281 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 93' ' ' CYS . . . . . . . . . . . . . 44.1 t -69.48 -9.98 56.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.576 -0.738 . . . . 1.3500000000000001 110.743 178.727 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 94' ' ' LYS . . . . . 0.537 ' HG2' ' O ' ' S' ' 90' ' ' GLU . 34.3 mmtp -69.38 -14.93 63.17 Favored 'General case' 0 CA--C 1.528 0.123 0 CA-C-N 116.292 -0.413 . . . . 2.9500000000000002 111.132 174.064 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 95' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -104.55 97.92 13.44 Favored Pre-proline 0 C--N 1.327 -0.408 0 N-CA-C 109.463 -0.569 . . . . 2.1299999999999999 109.463 178.248 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 96' ' ' PRO . . . . . 0.481 ' HD3' ' O ' ' S' ' 94' ' ' LYS . 14.4 Cg_exo -69.4 -55.48 0.19 Allowed 'Trans proline' 0 C--O 1.237 0.464 0 C-N-CA 123.063 2.509 . . . . 0.76000000000000001 112.46 -174.676 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 97' ' ' ASN . . . . . 0.407 HD22 ' HA ' ' S' ' 97' ' ' ASN . 8.1 m120 -126.19 83.9 62.75 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 115.891 -0.595 . . . . 1.0800000000000001 110.554 -179.097 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 98' ' ' PRO . . . . . 0.424 ' HG2' ' HB3' ' S' ' 105' ' ' ALA . 95.7 Cg_endo -81.98 153.58 16.97 Favored 'Trans proline' 0 N--CA 1.457 -0.657 0 C-N-CA 122.635 2.223 . . . . 0.53000000000000003 112.216 178.709 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 99' ' ' ILE . . . . . . . . . . . . . 46.7 mm -95.11 106.97 18.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 121.265 0.555 . . . . 0.51000000000000001 109.822 177.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 100' ' ' ILE . . . . . . . . . . . . . 53.8 mt -117.8 122.69 70.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.897 -0.592 . . . . 0.56999999999999995 109.83 -178.471 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 101' ' ' ASP . . . . . . . . . . . . . 19.8 t70 64.85 15.2 9.73 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.68 0.752 . . . . 1.3999999999999999 110.953 175.197 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 102' ' ' GLY . . . . . . . . . . . . . . . 99.76 1.2 56.33 Favored Glycine 0 N--CA 1.449 -0.438 0 CA-C-N 115.716 -0.675 . . . . 0.81999999999999995 112.842 179.007 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 103' ' ' ARG . . . . . 0.445 ' HA ' ' NE ' ' S' ' 103' ' ' ARG . 2.0 tpm_? -119.82 156.2 31.12 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 122.658 -0.319 . . . . 3.1099999999999999 110.366 -177.757 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 104' ' ' LYS . . . . . . . . . . . . . 29.4 ttmt -82.46 121.06 26.26 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 110.256 -0.276 . . . . 1.98 110.256 175.647 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 105' ' ' ALA . . . . . 0.424 ' HB3' ' HG2' ' S' ' 98' ' ' PRO . . . -97.73 161.52 13.71 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.36 -0.382 . . . . 0.33000000000000002 110.453 177.276 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 106' ' ' ASN . . . . . . . . . . . . . 46.8 m-80 -119.67 112.55 19.44 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.607 -0.516 . . . . 1.99 109.607 178.208 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 107' ' ' VAL . . . . . . . . . . . . . 99.3 t -103.54 126.37 58.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.845 -0.616 . . . . 0.33000000000000002 111.04 -177.447 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 108' ' ' ASN . . . . . . . . . . . . . 32.5 p-10 -157.57 168.22 27.92 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.128 -0.487 . . . . 1.76 109.926 176.005 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 109' ' ' LEU . . . . . . . . . . . . . 89.2 mt -84.92 135.32 34.1 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.457 -0.338 . . . . 0.56999999999999995 110.656 -178.397 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.76 -31.38 69.6 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.693 0.627 . . . . 0.66000000000000003 112.693 -173.5 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 111' ' ' TYR . . . . . 0.589 ' HB3' ' HB3' ' S' ' 33' ' ' MET . 4.6 p90 -71.37 -11.84 61.11 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 121.203 -0.199 . . . . 1.25 111.373 -175.049 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 112' ' ' LEU . . . . . . . . . . . . . 93.4 mt -72.68 -14.39 61.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.162 0.506 . . . . 1.54 110.574 179.103 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 113' ' ' GLY . . . . . . . . . . . . . . . 125.47 42.55 0.31 Allowed Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.81 -0.709 . . . . 1.9399999999999999 112.49 178.196 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 114' ' ' ALA . . . . . . . . . . . . . . . -77.98 98.73 5.79 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.028 0.442 . . . . 1.6200000000000001 110.556 178.727 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 115' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -96.49 118.25 65.44 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-N 116.069 -0.514 . . . . 5.2699999999999996 110.31 -177.53 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 116' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_exo -51.01 153.13 9.29 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 123.252 2.635 . . . . 2.96 112.866 178.438 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 117' ' ' ARG . . . . . . . . . . . . . 30.6 mmm180 -81.5 48.65 1.19 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.368 0.604 . . . . 4.5 111.048 -176.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 118' ' ' THR . . . . . . . . . . . . . 33.9 p -100.87 108.67 20.5 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.565 -0.743 . . . . 6.2999999999999998 110.047 178.674 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 119' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -78.34 86.25 4.42 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.362 -0.381 . . . . 6.9100000000000001 110.249 -179.217 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 120' ' ' VAL . . . . . . . . . . . . . 3.3 p -137.32 113.08 11.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.004 -0.544 . . . . 8.8900000000000006 110.494 -179.44 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 121' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 . . . . . 0 C--O 1.252 1.218 0 CA-C-N 115.411 -0.813 . . . . 11.5 110.634 179.559 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' S' S ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.279 0 N-CA-C 111.832 -0.507 . . . . 11.029999999999999 111.832 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' S' S ' 26' ' ' ALA . . . . . . . . . . . . . . . -153.03 167.91 27.62 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.957 -0.386 . . . . 9.4600000000000009 109.957 179.472 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 27' ' ' MET . . . . . . . . . . . . . 93.7 mmm 65.26 98.69 0.04 OUTLIER 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.714 0.769 . . . . 9.9100000000000001 111.862 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 28' ' ' GLY . . . . . . . . . . . . . . . -177.74 109.06 0.26 Allowed Glycine 0 N--CA 1.445 -0.732 0 CA-C-N 115.064 -0.971 . . . . 5.7699999999999996 111.39 177.213 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 29' ' ' SER . . . . . . . . . . . . . 7.1 m -85.13 69.93 10.83 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.01 0.433 . . . . 4.4500000000000002 110.21 -176.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 30' ' ' ARG . . . . . . . . . . . . . 66.1 ttt180 -126.37 140.72 52.28 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.914 -0.585 . . . . 7.0300000000000002 109.922 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -95.46 143.01 27.15 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.209 0.528 . . . . 3.3900000000000001 109.861 178.076 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 32' ' ' THR . . . . . 0.593 ' HA ' ' OG1' ' S' ' 35' ' ' THR . 35.3 p -114.5 25.27 11.16 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.576 -0.738 . . . . 1.26 109.291 172.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 50.2 mtm -84.56 -55.18 4.26 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.484 -0.78 . . . . 1.3899999999999999 110.008 -179.4 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 34' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -93.06 6.07 49.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.536 -0.756 . . . . 0.96999999999999997 110.835 -176.592 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 35' ' ' THR . . . . . 0.593 ' OG1' ' HA ' ' S' ' 32' ' ' THR . 12.7 p -114.38 -8.65 12.83 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.103 0.478 . . . . 0.55000000000000004 110.533 -177.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 36' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -103.68 103.14 13.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.267 -0.879 . . . . 1.95 110.669 -176.125 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 37' ' ' ILE . . . . . 0.435 ' CG2' HG13 ' S' ' 107' ' ' VAL . 66.5 mt -90.92 130.72 39.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 115.301 -0.863 . . . . 0.40999999999999998 110.771 -177.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 38' ' ' PHE . . . . . 0.455 ' HB2' ' HB2' ' S' ' 110' ' ' ALA . 90.8 t80 -98.34 121.86 40.79 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.548 -0.538 . . . . 0.45000000000000001 109.548 174.207 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 39' ' ' VAL . . . . . 0.419 HG21 HD11 ' S' ' 51' ' ' LEU . 27.9 t -117.54 98.66 6.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.314 -0.403 . . . . 0.20000000000000001 110.046 178.346 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 40' ' ' GLY . . . . . . . . . . . . . . . -104.44 152.89 17.57 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.636 -0.792 . . . . 0.27000000000000002 111.611 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 41' ' ' GLY . . . . . . . . . . . . . . . 98.66 34.69 5.16 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.804 -0.712 . . . . 0.48999999999999999 111.769 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 42' ' ' LEU . . . . . . . . . . . . . 97.5 mt -100.38 140.05 21.14 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-O 120.787 0.327 . . . . 0.59999999999999998 110.319 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 43' ' ' PRO . . . . . 0.509 ' HD2' ' OG1' ' S' ' 46' ' ' THR . 16.9 Cg_exo -68.6 168.89 18.64 Favored 'Trans proline' 0 N--CA 1.46 -0.488 0 C-N-CA 122.539 2.16 . . . . 0.55000000000000004 111.77 174.091 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 44' ' ' TYR . . . . . 0.479 ' HA ' ' HB3' ' S' ' 75' ' ' SER . 19.8 m-85 -72.72 -10.53 59.91 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.212 0.529 . . . . 2.4100000000000001 110.546 -176.774 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 45' ' ' HIS . . . . . . . . . . . . . 7.5 m80 -90.96 -4.41 56.5 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.366 -0.833 . . . . 2.3100000000000001 109.925 -175.666 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 46' ' ' THR . . . . . 0.509 ' OG1' ' HD2' ' S' ' 43' ' ' PRO . 62.6 m -92.17 113.72 26.07 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-N 115.688 -0.687 . . . . 0.53000000000000003 110.378 -175.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 47' ' ' SER . . . . . . . . . . . . . 36.6 m -103.61 178.95 4.41 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.026 -0.533 . . . . 0.68000000000000005 110.263 179.697 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 48' ' ' ASP . . . . . 0.458 ' HB2' ' O ' ' S' ' 64' ' ' ALA . 6.6 p-10 -55.08 -38.14 67.7 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.199 -0.455 . . . . 1.29 110.729 178.167 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 49' ' ' LYS . . . . . 0.533 ' O ' ' HB2' ' S' ' 53' ' ' GLU . 12.7 ptmt -61.94 -27.47 68.86 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.398 -0.819 . . . . 2.5 111.297 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 50' ' ' THR . . . . . . . . . . . . . 9.2 m -84.36 -45.59 12.62 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 120.846 0.355 . . . . 0.42999999999999999 110.779 -177.268 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 51' ' ' LEU . . . . . 0.419 HD11 HG21 ' S' ' 39' ' ' VAL . 25.6 tp -55.31 -48.38 74.22 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-O 121.444 0.64 . . . . 0.46000000000000002 109.805 174.038 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 52' ' ' HIS . . . . . . . . . . . . . 31.5 t-80 -63.38 -41.53 98.8 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.109 -0.951 . . . . 0.55000000000000004 110.901 178.273 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 53' ' ' GLU . . . . . 0.533 ' HB2' ' O ' ' S' ' 49' ' ' LYS . 5.6 tp10 -52.32 -41.55 63.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.482 -0.781 . . . . 2.2400000000000002 111.4 -177.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 54' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -81.52 -45.53 15.81 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.677 -0.692 . . . . 0.55000000000000004 112.175 -174.652 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 55' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -85.01 -20.61 30.22 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 114.76 1.393 . . . . 0.5 114.76 -167.492 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 56' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -65.95 -11.55 48.37 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 118.936 0.789 . . . . 1.47 110.863 -177.052 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 57' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -62.94 -23.24 67.29 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.971 -0.559 . . . . 2.98 110.143 176.375 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 58' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -91.07 -27.39 18.63 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.669 -0.696 . . . . 0.65000000000000002 111.69 -175.653 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 59' ' ' GLY . . . . . . . . . . . . . . . 164.98 -172.03 40.54 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.501 -0.857 . . . . 0.44 112.659 -179.322 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 60' ' ' ASP . . . . . 0.597 ' HB2' ' HB3' ' S' ' 84' ' ' LYS . 3.0 m-20 -62.28 124.33 20.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.867 0.365 . . . . 1.99 111.57 -179.229 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 61' ' ' ILE . . . . . 0.562 HG21 ' HB2' ' S' ' 64' ' ' ALA . 47.5 mt -104.32 120.71 55.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.839 -0.619 . . . . 0.42999999999999999 110.096 173.758 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 62' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -92.15 -32.87 14.95 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.373 -0.376 . . . . 1.9099999999999999 110.695 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 63' ' ' GLU . . . . . 0.415 ' HB3' ' HB ' ' S' ' 82' ' ' THR . 31.6 tt0 -140.11 126.22 19.79 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 110.041 -0.355 . . . . 1.8100000000000001 110.041 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 64' ' ' ALA . . . . . 0.562 ' HB2' HG21 ' S' ' 61' ' ' ILE . . . -150.34 101.74 3.0 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.581 0.229 . . . . 0.38 110.674 178.422 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 65' ' ' VAL . . . . . . . . . . . . . 34.9 m -139.05 144.09 30.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.421 -0.354 . . . . 0.35999999999999999 111.275 -179.031 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 66' ' ' VAL . . . . . . . . . . . . . 89.2 t -96.74 121.94 47.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 108.925 -0.769 . . . . 0.29999999999999999 108.925 172.204 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 67' ' ' ILE . . . . . . . . . . . . . 48.7 mm -73.56 116.98 16.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.275 0.56 . . . . 0.46999999999999997 111.879 -170.286 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 68' ' ' THR . . . . . . . . . . . . . 4.0 p -92.51 142.23 27.63 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.481 -0.781 . . . . 0.78000000000000003 109.725 172.665 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 69' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -64.26 139.31 58.75 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 110.08 -0.341 . . . . 1.75 110.08 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 70' ' ' ARG . . . . . . . . . . . . . 41.0 mtp180 -74.59 -23.09 58.69 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 111.82 0.304 . . . . 4.0199999999999996 111.82 -174.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 71' ' ' ASN . . . . . . . . . . . . . 46.7 t-20 -85.39 -56.61 3.44 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.81 0.338 . . . . 2.6400000000000001 110.261 -177.227 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 72' ' ' THR . . . . . 0.453 ' HB ' ' HG2' ' S' ' 74' ' ' LYS . 32.1 p -89.49 -20.6 23.65 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.087 -0.506 . . . . 1.8400000000000001 112.364 -175.2 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 73' ' ' GLN . . . . . . . . . . . . . 17.7 mm-40 64.36 28.92 13.71 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 121.34 0.591 . . . . 2.3500000000000001 111.27 -178.301 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 74' ' ' LYS . . . . . 0.453 ' HG2' ' HB ' ' S' ' 72' ' ' THR . 29.0 mmmt -104.56 154.59 19.73 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.803 -0.814 . . . . 2.77 108.803 175.466 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 75' ' ' SER . . . . . 0.479 ' HB3' ' HA ' ' S' ' 44' ' ' TYR . 44.7 t -65.26 132.63 49.55 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.85 0.357 . . . . 1.51 110.697 179.542 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 76' ' ' ARG . . . . . . . . . . . . . 92.6 mtt180 -83.92 -3.08 57.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.265 -0.425 . . . . 2.54 111.141 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 77' ' ' GLY . . . . . . . . . . . . . . . 83.72 30.46 29.45 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.644 -0.789 . . . . 0.53000000000000003 113.337 174.008 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 78' ' ' TYR . . . . . . . . . . . . . 24.1 p90 -161.67 156.57 23.23 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 110.128 -0.323 . . . . 0.59999999999999998 110.128 176.634 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 79' ' ' GLY . . . . . . . . . . . . . . . -145.14 169.41 26.82 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.838 -0.696 . . . . 0.17000000000000001 112.051 178.391 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 80' ' ' PHE . . . . . 0.404 ' CE1' ' HD1' ' S' ' 38' ' ' PHE . 96.6 m-85 -122.04 138.45 54.43 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.629 0.252 . . . . 0.39000000000000001 110.53 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 81' ' ' VAL . . . . . 0.411 ' HB ' ' HB ' ' S' ' 37' ' ' ILE . 42.3 t -122.69 122.48 66.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.29 -0.414 . . . . 0.23999999999999999 110.844 178.166 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 82' ' ' THR . . . . . 0.436 ' HA ' ' O ' ' S' ' 35' ' ' THR . 58.3 m -102.62 114.24 28.3 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.657 -0.497 . . . . 0.29999999999999999 109.657 175.84 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 83' ' ' MET . . . . . 0.625 ' HG3' ' HA ' ' S' ' 89' ' ' ALA . 98.2 mmm -92.29 165.47 13.08 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.798 -0.637 . . . . 0.71999999999999997 111.046 -177.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 84' ' ' LYS . . . . . 0.597 ' HB3' ' HB2' ' S' ' 60' ' ' ASP . 12.5 ptmm? -56.82 -45.76 82.09 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.434 -0.803 . . . . 2.21 112.194 179.63 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 85' ' ' ASP . . . . . 0.402 ' OD2' ' HG3' ' S' ' 84' ' ' LYS . 3.7 p30 -146.73 170.41 17.04 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.845 -0.428 . . . . 1.8500000000000001 109.845 -177.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 86' ' ' ARG . . . . . 0.509 ' O ' ' HG3' ' S' ' 90' ' ' GLU . 39.2 ptt180 -69.29 -32.73 72.07 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.059 -0.519 . . . . 3.96 111.993 -174.745 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 87' ' ' ALA . . . . . . . . . . . . . . . -71.63 -43.52 66.01 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.87 0.367 . . . . 0.62 110.46 -177.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 88' ' ' SER . . . . . . . . . . . . . 50.8 m -63.32 -39.5 94.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.158 0.504 . . . . 0.88 110.011 175.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 89' ' ' ALA . . . . . 0.625 ' HA ' ' HG3' ' S' ' 83' ' ' MET . . . -59.97 -42.72 94.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.578 -0.737 . . . . 0.34999999999999998 110.927 174.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 90' ' ' GLU . . . . . 0.522 ' O ' ' HG2' ' S' ' 94' ' ' LYS . 44.7 mt-10 -62.03 -35.41 78.51 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 116.55 -0.295 . . . . 1.8500000000000001 111.174 177.402 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 91' ' ' ARG . . . . . . . . . . . . . 53.5 ttt180 -62.28 -37.77 86.79 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 110.04 -0.355 . . . . 2.9199999999999999 110.04 177.752 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 92' ' ' ALA . . . . . . . . . . . . . . . -71.18 -35.88 71.77 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.945 -0.57 . . . . 0.46999999999999997 110.598 176.173 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 93' ' ' CYS . . . . . . . . . . . . . 22.3 t -78.63 0.1 27.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.804 -0.634 . . . . 1.3500000000000001 110.945 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 94' ' ' LYS . . . . . 0.522 ' HG2' ' O ' ' S' ' 90' ' ' GLU . 37.9 mmtm -71.81 -11.58 60.87 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.366 -0.379 . . . . 2.9500000000000002 110.765 172.248 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 95' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -111.65 85.77 6.37 Favored Pre-proline 0 C--N 1.327 -0.386 0 N-CA-C 109.318 -0.623 . . . . 2.1299999999999999 109.318 170.212 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 96' ' ' PRO . . . . . 0.425 ' HD3' ' O ' ' S' ' 94' ' ' LYS . 19.6 Cg_exo -66.73 -33.43 34.81 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.941 2.427 . . . . 0.76000000000000001 112.089 -176.713 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 97' ' ' ASN . . . . . 0.475 ' HA ' ' O ' ' S' ' 105' ' ' ALA . 10.1 m120 -125.28 85.02 58.89 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 115.978 -0.555 . . . . 1.0800000000000001 110.427 178.422 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 98' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -83.95 149.18 12.28 Favored 'Trans proline' 0 N--CA 1.455 -0.781 0 C-N-CA 122.844 2.363 . . . . 0.53000000000000003 111.653 176.453 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 99' ' ' ILE . . . . . . . . . . . . . 47.9 mm -97.52 91.47 2.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 121.629 0.728 . . . . 0.51000000000000001 110.052 178.621 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 100' ' ' ILE . . . . . . . . . . . . . 58.5 mt -102.49 118.44 49.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 115.281 -0.872 . . . . 0.56999999999999995 109.884 -178.209 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 101' ' ' ASP . . . . . 0.404 ' OD2' ' HG2' ' S' ' 43' ' ' PRO . 33.0 t70 65.06 14.42 9.35 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-O 122.042 0.925 . . . . 1.3999999999999999 110.448 -177.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 102' ' ' GLY . . . . . . . . . . . . . . . 93.84 -1.19 68.0 Favored Glycine 0 N--CA 1.448 -0.502 0 CA-C-N 115.737 -0.665 . . . . 0.81999999999999995 112.027 -178.271 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 103' ' ' ARG . . . . . . . . . . . . . 2.7 tpp180 -99.63 138.47 36.66 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.592 -0.522 . . . . 3.1099999999999999 109.592 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 104' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -84.3 103.15 13.23 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.846 -0.428 . . . . 1.98 109.846 179.059 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 105' ' ' ALA . . . . . 0.475 ' O ' ' HA ' ' S' ' 97' ' ' ASN . . . -82.86 164.5 20.48 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.86 -0.609 . . . . 0.33000000000000002 111.125 -177.155 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 106' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -117.09 109.14 16.58 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.776 -0.647 . . . . 1.99 109.29 177.336 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 107' ' ' VAL . . . . . 0.435 HG13 ' CG2' ' S' ' 37' ' ' ILE . 76.8 t -104.76 127.63 59.07 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 115.938 -0.574 . . . . 0.33000000000000002 110.609 -176.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 108' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -159.01 156.78 29.99 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.872 -0.604 . . . . 1.76 109.584 -179.563 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 109' ' ' LEU . . . . . . . . . . . . . 93.4 mt -70.99 123.75 22.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.055 0.455 . . . . 0.56999999999999995 109.793 177.374 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 110' ' ' ALA . . . . . 0.455 ' HB2' ' HB2' ' S' ' 38' ' ' PHE . . . -70.57 -10.86 60.3 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 113.01 0.745 . . . . 0.66000000000000003 113.01 -170.348 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 111' ' ' TYR . . . . . . . . . . . . . 8.2 p90 -70.6 -16.99 62.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.674 0.273 . . . . 1.25 111.313 -175.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 112' ' ' LEU . . . . . . . . . . . . . 86.0 mt -79.81 -64.48 1.18 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.74 0.305 . . . . 1.54 111.222 -179.529 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 113' ' ' GLY . . . . . . . . . . . . . . . -177.21 64.67 0.09 OUTLIER Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.42 -0.895 . . . . 1.9399999999999999 112.157 -178.263 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 114' ' ' ALA . . . . . . . . . . . . . . . -71.65 102.85 2.87 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.922 -0.399 . . . . 1.6200000000000001 109.922 177.222 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 115' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -106.41 108.3 61.56 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 116.316 -0.402 . . . . 5.2699999999999996 111.03 -175.452 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 116' ' ' PRO . . . . . . . . . . . . . 9.0 Cg_exo -72.46 -165.94 0.25 Allowed 'Trans proline' 0 CA--C 1.529 0.272 0 C-N-CA 123.278 2.652 . . . . 2.96 111.695 176.046 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 117' ' ' ARG . . . . . 0.405 ' O ' ' HB ' ' S' ' 118' ' ' THR . 14.9 ptm180 -81.65 31.79 0.36 Allowed 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 111.999 0.37 . . . . 4.5 111.999 -176.728 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 118' ' ' THR . . . . . 0.405 ' HB ' ' O ' ' S' ' 117' ' ' ARG . 51.8 m 72.75 122.32 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.374 0 O-C-N 123.603 0.565 . . . . 6.2999999999999998 111.462 -178.589 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 119' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -167.81 -59.74 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.641 -0.708 . . . . 6.9100000000000001 109.108 179.634 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 120' ' ' VAL . . . . . . . . . . . . . 47.2 t 71.44 -75.37 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 CA-C-N 115.121 -0.945 . . . . 8.8900000000000006 111.614 177.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 121' ' ' GLN . . . . . 0.436 ' HA ' ' OE1' ' S' ' 121' ' ' GLN . 6.4 tp60 . . . . . 0 C--O 1.253 1.247 0 CA-C-O 118.448 -0.787 . . . . 11.5 110.876 -173.416 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.75 0 N-CA-C 111.944 -0.462 . . . . 11.029999999999999 111.944 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' S' S ' 26' ' ' ALA . . . . . 0.456 ' O ' ' HB2' ' S' ' 27' ' ' MET . . . -81.23 -28.58 34.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.657 0.228 . . . . 9.4600000000000009 111.572 -175.48 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 27' ' ' MET . . . . . 0.456 ' HB2' ' O ' ' S' ' 26' ' ' ALA . 51.0 mtt 73.36 -56.7 0.65 Allowed 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.058 0.543 . . . . 9.9100000000000001 111.797 178.809 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.89 -78.63 0.28 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 121.087 -0.578 . . . . 5.7699999999999996 112.569 -177.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 29' ' ' SER . . . . . . . . . . . . . 22.7 t -165.29 147.25 7.69 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 110.22 -0.289 . . . . 4.4500000000000002 110.22 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 30' ' ' ARG . . . . . . . . . . . . . 19.1 ptt180 -96.41 140.57 30.88 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 109.346 -0.613 . . . . 7.0300000000000002 109.346 175.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 31' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -96.54 140.59 30.95 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.368 -0.605 . . . . 3.3900000000000001 109.368 178.369 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 32' ' ' THR . . . . . 0.494 ' O ' ' HB2' ' S' ' 36' ' ' LYS . 6.0 p -113.15 21.83 14.94 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 121.512 0.672 . . . . 1.26 109.478 175.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 27.1 ttt -85.97 -54.44 4.49 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.427 -0.806 . . . . 1.3899999999999999 110.595 -179.096 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 34' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -96.9 1.15 50.16 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.875 -0.602 . . . . 0.96999999999999997 110.998 -174.505 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 35' ' ' THR . . . . . 0.447 ' O ' ' HA ' ' S' ' 82' ' ' THR . 25.0 p -110.4 4.48 20.66 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.401 0.619 . . . . 0.55000000000000004 109.933 -178.526 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 36' ' ' LYS . . . . . 0.494 ' HB2' ' O ' ' S' ' 32' ' ' THR . 76.9 tttt -102.18 102.77 13.24 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.078 -0.965 . . . . 1.95 110.852 -173.825 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 37' ' ' ILE . . . . . . . . . . . . . 66.9 mt -97.42 136.03 29.67 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-N 115.28 -0.873 . . . . 0.40999999999999998 110.703 -178.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 38' ' ' PHE . . . . . 0.406 ' HD1' ' CE1' ' S' ' 80' ' ' PHE . 84.9 t80 -98.35 126.88 44.04 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.177 -0.675 . . . . 0.45000000000000001 109.177 175.362 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 39' ' ' VAL . . . . . . . . . . . . . 20.5 t -120.23 96.37 4.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 120.946 0.403 . . . . 0.20000000000000001 110.356 177.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 40' ' ' GLY . . . . . . . . . . . . . . . -109.5 170.47 14.42 Favored Glycine 0 N--CA 1.449 -0.5 0 N-CA-C 110.927 -0.869 . . . . 0.27000000000000002 110.927 177.65 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 41' ' ' GLY . . . . . . . . . . . . . . . 88.33 7.61 72.55 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.381 -0.914 . . . . 0.48999999999999999 112.05 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 42' ' ' LEU . . . . . . . . . . . . . 96.3 mt -74.35 157.36 86.56 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-N 115.775 -0.213 . . . . 0.59999999999999998 110.462 -179.332 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 43' ' ' PRO . . . . . 0.511 ' HG2' ' HB3' ' S' ' 101' ' ' ASP . 44.9 Cg_exo -58.15 152.32 53.17 Favored 'Trans proline' 0 N--CA 1.459 -0.512 0 C-N-CA 122.333 2.022 . . . . 0.55000000000000004 111.33 169.848 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 44' ' ' TYR . . . . . . . . . . . . . 66.5 t80 -59.87 -33.78 72.27 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 112.667 0.617 . . . . 2.4100000000000001 112.667 -173.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 45' ' ' HIS . . . . . . . . . . . . . 45.1 p-80 -104.52 25.92 9.65 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.05 0.389 . . . . 2.3100000000000001 112.05 -172.616 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 46' ' ' THR . . . . . . . . . . . . . 85.5 m -71.61 123.19 21.94 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.836 0.35 . . . . 0.53000000000000003 110.083 178.498 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 47' ' ' SER . . . . . . . . . . . . . 31.5 m -88.11 157.43 18.85 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-O 120.952 0.406 . . . . 0.68000000000000005 111.134 -177.345 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 48' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -54.09 -45.7 71.88 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.338 -0.846 . . . . 1.29 111.322 -178.663 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 49' ' ' LYS . . . . . 0.477 ' O ' ' HB2' ' S' ' 53' ' ' GLU . 13.0 ptmm? -59.46 -32.59 70.37 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-N 116.3 -0.409 . . . . 2.5 111.21 -179.564 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 50' ' ' THR . . . . . . . . . . . . . 40.9 m -71.31 -39.39 71.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.85 0.357 . . . . 0.42999999999999999 110.974 -177.62 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 51' ' ' LEU . . . . . 0.621 HD22 ' HA3' ' S' ' 79' ' ' GLY . 47.9 tp -64.11 -47.67 79.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.045 0.45 . . . . 0.46000000000000002 110.189 176.38 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 52' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -61.15 -44.44 97.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.633 -0.712 . . . . 0.55000000000000004 110.72 178.022 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 53' ' ' GLU . . . . . 0.477 ' HB2' ' O ' ' S' ' 49' ' ' LYS . 30.6 tt0 -59.79 -36.39 76.6 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.462 -0.79 . . . . 2.2400000000000002 111.776 -177.062 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 54' ' ' TYR . . . . . . . . . . . . . 71.3 t80 -76.49 -40.47 50.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.898 0.38 . . . . 0.55000000000000004 111.161 -178.419 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 55' ' ' PHE . . . . . 0.6 ' HA ' ' HD2' ' S' ' 58' ' ' PHE . 27.4 m-85 -79.01 -19.49 51.43 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 111.961 0.356 . . . . 0.5 111.961 -177.316 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 56' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -52.2 -25.97 10.48 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.941 -0.572 . . . . 1.47 111.004 176.642 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 57' ' ' GLN . . . . . . . . . . . . . 7.5 mm100 -71.58 -37.93 70.98 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.55 0.69 . . . . 2.98 110.84 -177.32 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 58' ' ' PHE . . . . . 0.6 ' HD2' ' HA ' ' S' ' 55' ' ' PHE . 87.2 m-85 -75.62 -30.52 59.55 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.914 -1.039 . . . . 0.65000000000000002 111.697 -175.01 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 59' ' ' GLY . . . . . . . . . . . . . . . 171.53 -163.1 35.73 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.26 -0.971 . . . . 0.44 112.498 178.479 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 60' ' ' ASP . . . . . 0.988 ' HB3' ' HG2' ' S' ' 84' ' ' LYS . 27.5 t0 -88.68 143.35 26.99 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.02 0.438 . . . . 1.99 110.095 -178.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 61' ' ' ILE . . . . . . . . . . . . . 20.7 mt -121.96 136.53 58.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 115.898 -0.592 . . . . 0.42999999999999999 110.549 -170.398 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 62' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -86.64 -36.15 18.95 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.739 -0.384 . . . . 1.9099999999999999 110.46 177.058 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 63' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -164.79 136.51 4.35 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.499 -0.318 . . . . 1.8100000000000001 110.567 174.6 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 64' ' ' ALA . . . . . . . . . . . . . . . -145.12 108.65 4.65 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.657 -0.497 . . . . 0.38 109.657 177.011 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 65' ' ' VAL . . . . . . . . . . . . . 24.3 m -136.4 148.71 27.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 120.946 0.403 . . . . 0.35999999999999999 111.873 -174.485 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 66' ' ' VAL . . . . . . . . . . . . . 87.8 t -90.44 116.14 31.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 109.025 -0.732 . . . . 0.29999999999999999 109.025 172.37 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 67' ' ' ILE . . . . . . . . . . . . . 46.2 mm -70.06 125.61 28.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.117 -0.492 . . . . 0.46999999999999997 111.409 -173.075 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 68' ' ' THR . . . . . . . . . . . . . 9.5 p -82.53 138.62 34.24 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.548 -0.751 . . . . 0.78000000000000003 109.518 175.24 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 69' ' ' ASP . . . . . 0.403 ' HA ' ' NE ' ' S' ' 76' ' ' ARG . 30.7 t70 -56.53 136.31 54.32 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-O 121.222 0.534 . . . . 1.75 110.358 -178.022 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 70' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -78.83 -12.98 60.05 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 116.154 -0.475 . . . . 4.0199999999999996 111.477 -171.236 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 71' ' ' ASN . . . . . . . . . . . . . 92.1 m-20 -95.19 -56.48 2.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.96 0.409 . . . . 2.6400000000000001 110.732 177.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 72' ' ' THR . . . . . 0.423 ' O ' ' HB2' ' S' ' 73' ' ' GLN . 38.0 p -86.81 -23.21 25.43 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.959 -0.564 . . . . 1.8400000000000001 112.353 -174.694 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 73' ' ' GLN . . . . . 0.423 ' HB2' ' O ' ' S' ' 72' ' ' THR . 25.7 mm-40 73.14 11.67 5.06 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.382 0.673 . . . . 2.3500000000000001 111.111 -176.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 74' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -94.28 156.95 16.27 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.44 -0.578 . . . . 2.77 109.44 176.038 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 75' ' ' SER . . . . . . . . . . . . . 15.2 m -56.74 145.55 28.73 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.689 0.28 . . . . 1.51 111.016 -178.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 76' ' ' ARG . . . . . 0.422 ' HB3' ' CE1' ' S' ' 78' ' ' TYR . 81.8 mtt180 -100.49 -3.53 30.62 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.161 0.43 . . . . 2.54 112.161 -179.367 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 77' ' ' GLY . . . . . . . . . . . . . . . 77.16 29.45 56.59 Favored Glycine 0 CA--C 1.521 0.447 0 C-N-CA 120.522 -0.847 . . . . 0.53000000000000003 113.335 177.186 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 78' ' ' TYR . . . . . 0.422 ' CE1' ' HB3' ' S' ' 76' ' ' ARG . 22.5 p90 -157.77 157.23 32.99 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.738 -0.468 . . . . 0.59999999999999998 109.738 174.63 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 79' ' ' GLY . . . . . 0.621 ' HA3' HD22 ' S' ' 51' ' ' LEU . . . -141.04 163.14 26.71 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.303 -0.951 . . . . 0.17000000000000001 112.36 -179.194 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 80' ' ' PHE . . . . . 0.406 ' CE1' ' HD1' ' S' ' 38' ' ' PHE . 97.3 m-85 -114.66 138.48 50.64 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.786 -0.45 . . . . 0.39000000000000001 109.786 175.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 81' ' ' VAL . . . . . . . . . . . . . 43.5 t -121.05 125.22 73.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.151 -0.477 . . . . 0.23999999999999999 110.568 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 82' ' ' THR . . . . . 0.447 ' HA ' ' O ' ' S' ' 35' ' ' THR . 17.1 m -111.38 107.03 16.14 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.213 -0.662 . . . . 0.29999999999999999 109.213 175.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 83' ' ' MET . . . . . 0.651 ' HG3' ' HA ' ' S' ' 89' ' ' ALA . 93.9 mmm -82.36 158.6 23.31 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.873 -0.603 . . . . 0.71999999999999997 110.23 -177.539 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 84' ' ' LYS . . . . . 0.988 ' HG2' ' HB3' ' S' ' 60' ' ' ASP . 0.0 OUTLIER -75.34 -22.04 57.91 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.346 -0.388 . . . . 2.21 111.536 -176.378 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' S' S ' 85' ' ' ASP . . . . . 0.589 ' HB2' ' HD3' ' S' ' 84' ' ' LYS . 32.7 t70 -149.72 159.55 44.25 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 110.079 -0.341 . . . . 1.8500000000000001 110.079 -175.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 86' ' ' ARG . . . . . 0.485 ' O ' ' HG2' ' S' ' 90' ' ' GLU . 60.5 ttt180 -67.5 -38.05 83.73 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 111.88 0.326 . . . . 3.96 111.88 -177.379 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.89 -50.15 74.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.79 0.329 . . . . 0.62 111.25 -174.538 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 88' ' ' SER . . . . . . . . . . . . . 3.0 p -65.83 -36.22 82.87 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.841 0.353 . . . . 0.88 110.857 177.095 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 89' ' ' ALA . . . . . 0.651 ' HA ' ' HG3' ' S' ' 83' ' ' MET . . . -61.06 -54.92 38.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.995 -0.548 . . . . 0.34999999999999998 111.8 178.168 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 90' ' ' GLU . . . . . 0.485 ' HG2' ' O ' ' S' ' 86' ' ' ARG . 22.2 pt-20 -71.85 -22.52 61.52 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 121.074 -0.251 . . . . 1.8500000000000001 110.994 -177.367 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 91' ' ' ARG . . . . . . . . . . . . . 68.6 ttt180 -61.08 -42.9 99.37 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.992 0.425 . . . . 2.9199999999999999 110.077 173.397 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.76 -31.95 68.93 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.866 -0.607 . . . . 0.46999999999999997 110.493 177.124 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 93' ' ' CYS . . . . . . . . . . . . . 44.3 t -75.31 -10.24 59.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.943 -0.571 . . . . 1.3500000000000001 111.207 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 94' ' ' LYS . . . . . 0.416 ' HB3' ' HE3' ' S' ' 94' ' ' LYS . 24.5 mmmt -64.4 -22.1 66.85 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.642 -0.254 . . . . 2.9500000000000002 110.983 175.477 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 95' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -114.47 101.04 54.0 Favored Pre-proline 0 C--N 1.327 -0.379 0 N-CA-C 109.505 -0.554 . . . . 2.1299999999999999 109.505 176.431 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 96' ' ' PRO . . . . . 0.436 ' O ' ' HA ' ' S' ' 106' ' ' ASN . 67.4 Cg_endo -74.85 -24.89 12.71 Favored 'Trans proline' 0 N--CA 1.46 -0.49 0 C-N-CA 122.509 2.139 . . . . 0.76000000000000001 113.334 -175.044 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 97' ' ' ASN . . . . . 0.585 ' HA ' ' O ' ' S' ' 105' ' ' ALA . 86.4 m-20 -137.97 74.09 44.5 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 120.658 0.266 . . . . 1.0800000000000001 111.061 -175.104 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 98' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -84.53 156.33 12.28 Favored 'Trans proline' 0 N--CA 1.457 -0.675 0 C-N-CA 122.969 2.446 . . . . 0.53000000000000003 111.811 177.383 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 99' ' ' ILE . . . . . . . . . . . . . 44.8 mm -90.35 100.73 11.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 116.076 -0.511 . . . . 0.51000000000000001 110.064 177.72 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 100' ' ' ILE . . . . . . . . . . . . . 49.6 mt -107.15 116.79 51.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 116.215 -0.448 . . . . 0.56999999999999995 109.862 179.469 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 101' ' ' ASP . . . . . 0.511 ' HB3' ' HG2' ' S' ' 43' ' ' PRO . 34.3 t70 59.87 22.63 11.6 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 115.276 -0.875 . . . . 1.3999999999999999 111.323 177.028 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 102' ' ' GLY . . . . . . . . . . . . . . . 98.55 4.6 57.1 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.695 -0.764 . . . . 0.81999999999999995 113.306 175.475 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 103' ' ' ARG . . . . . 0.524 ' HE ' ' HA ' ' S' ' 103' ' ' ARG . 0.0 OUTLIER -123.35 152.81 41.12 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 117.482 0.641 . . . . 3.1099999999999999 110.799 179.912 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' S' S ' 104' ' ' LYS . . . . . . . . . . . . . 39.5 mtpt -80.11 111.06 16.1 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-N 116.265 -0.425 . . . . 1.98 110.77 175.733 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 105' ' ' ALA . . . . . 0.585 ' O ' ' HA ' ' S' ' 97' ' ' ASN . . . -93.8 161.83 14.17 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.762 -0.654 . . . . 0.33000000000000002 110.097 177.032 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 106' ' ' ASN . . . . . 0.436 ' HA ' ' O ' ' S' ' 96' ' ' PRO . 27.5 t-20 -117.12 109.68 17.24 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 109.004 -0.739 . . . . 1.99 109.004 176.078 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 107' ' ' VAL . . . . . . . . . . . . . 88.7 t -107.65 126.48 64.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.878 -0.601 . . . . 0.33000000000000002 110.087 -177.624 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 108' ' ' ASN . . . . . . . . . . . . . 29.5 p-10 -168.84 170.05 9.44 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.098 -0.501 . . . . 1.76 110.481 177.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 109' ' ' LEU . . . . . 0.446 HD13 ' HE2' ' S' ' 111' ' ' TYR . 92.6 mt -70.78 123.24 21.48 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.208 -0.451 . . . . 0.56999999999999995 110.151 178.472 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.8 -29.77 70.97 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 113.057 0.762 . . . . 0.66000000000000003 113.057 -170.175 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 111' ' ' TYR . . . . . 0.446 ' HE2' HD13 ' S' ' 109' ' ' LEU . 31.4 p90 -73.09 -10.32 59.66 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.983 -0.287 . . . . 1.25 111.407 -175.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 112' ' ' LEU . . . . . . . . . . . . . 91.6 mt -80.89 -32.15 34.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.724 0.297 . . . . 1.54 110.643 179.51 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 113' ' ' GLY . . . . . . . . . . . . . . . 161.52 71.0 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.292 -0.956 . . . . 1.9399999999999999 112.69 -179.499 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 114' ' ' ALA . . . . . . . . . . . . . . . -94.89 118.94 32.61 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.887 0.375 . . . . 1.6200000000000001 111.205 179.416 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 115' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -108.65 117.84 53.25 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 116.122 -0.49 . . . . 5.2699999999999996 110.201 176.519 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 116' ' ' PRO . . . . . 0.585 ' O ' ' HG2' ' S' ' 117' ' ' ARG . 37.6 Cg_exo -58.36 113.29 1.48 Allowed 'Trans proline' 0 N--CA 1.464 -0.223 0 C-N-CA 122.779 2.32 . . . . 2.96 111.58 173.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 117' ' ' ARG . . . . . 0.585 ' HG2' ' O ' ' S' ' 116' ' ' PRO . 12.6 ptm180 56.4 -169.82 0.09 Allowed 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.311 1.044 . . . . 4.5 112.046 -178.847 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 118' ' ' THR . . . . . . . . . . . . . 19.0 p -70.37 108.14 4.1 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.958 -0.564 . . . . 6.2999999999999998 111.176 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 119' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -94.06 10.05 35.21 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.357 0.598 . . . . 6.9100000000000001 109.948 176.652 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 120' ' ' VAL . . . . . . . . . . . . . 32.1 m -101.73 -179.08 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.472 -0.786 . . . . 8.8900000000000006 110.843 -177.281 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 121' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 . . . . . 0 C--O 1.245 0.835 0 CA-C-O 118.987 -0.53 . . . . 11.5 110.539 -179.434 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' S' S ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.743 0 N-CA-C 111.724 -0.55 . . . . 11.029999999999999 111.724 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' S' S ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.18 -28.29 63.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.859 0.361 . . . . 9.4600000000000009 111.08 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 27' ' ' MET . . . . . . . . . . . . . 24.8 ttt -141.77 -64.92 0.43 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.659 -0.496 . . . . 9.9100000000000001 109.659 177.387 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 28' ' ' GLY . . . . . . . . . . . . . . . -158.02 105.36 0.27 Allowed Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.859 -0.686 . . . . 5.7699999999999996 111.834 177.177 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 29' ' ' SER . . . . . . . . . . . . . 20.8 t -174.29 162.23 3.59 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.25 -0.648 . . . . 4.4500000000000002 109.25 -179.179 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 30' ' ' ARG . . . . . . . . . . . . . 32.4 ptt180 -98.04 118.79 35.42 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.949 0.404 . . . . 7.0300000000000002 110.266 178.33 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 31' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -75.59 102.58 5.35 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.021 -0.536 . . . . 3.3900000000000001 110.303 178.328 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 32' ' ' THR . . . . . 0.415 ' HA ' ' OG1' ' S' ' 35' ' ' THR . 0.7 OUTLIER -79.54 43.61 0.57 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.269 0.557 . . . . 1.26 111.575 -179.525 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 88.3 mtp -82.86 -46.44 13.01 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.979 0.418 . . . . 1.3899999999999999 110.36 179.238 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 34' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -97.92 3.46 49.65 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.805 -0.634 . . . . 0.96999999999999997 111.553 -176.538 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 35' ' ' THR . . . . . 0.415 ' OG1' ' HA ' ' S' ' 32' ' ' THR . 7.1 p -114.53 -11.79 12.38 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.037 0.446 . . . . 0.55000000000000004 110.875 -178.396 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 36' ' ' LYS . . . . . . . . . . . . . 73.5 tttt -102.47 115.45 30.61 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.027 -0.533 . . . . 1.95 110.084 -177.237 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 37' ' ' ILE . . . . . . . . . . . . . 66.9 mt -96.3 131.38 43.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.796 -0.638 . . . . 0.40999999999999998 110.797 -178.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 38' ' ' PHE . . . . . 0.795 ' HZ ' ' HD3' ' S' ' 116' ' ' PRO . 72.7 t80 -97.17 116.47 29.43 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.577 -0.738 . . . . 0.45000000000000001 109.147 173.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 39' ' ' VAL . . . . . . . . . . . . . 18.3 t -112.34 109.42 28.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 120.991 0.424 . . . . 0.20000000000000001 110.657 -178.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 40' ' ' GLY . . . . . . . . . . . . . . . -109.14 168.08 13.2 Favored Glycine 0 N--CA 1.443 -0.891 0 C-N-CA 120.948 -0.644 . . . . 0.27000000000000002 111.727 178.401 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.98 17.2 63.6 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.831 -0.699 . . . . 0.48999999999999999 112.566 179.571 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 42' ' ' LEU . . . . . . . . . . . . . 92.7 mt -82.1 145.79 53.65 Favored Pre-proline 0 C--N 1.328 -0.362 0 O-C-N 122.796 -0.238 . . . . 0.59999999999999998 110.433 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 43' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.15 160.19 8.71 Favored 'Trans proline' 0 CA--C 1.532 0.399 0 C-N-CA 122.552 2.168 . . . . 0.55000000000000004 112.402 175.653 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 44' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -75.52 1.84 13.19 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 113.389 0.885 . . . . 2.4100000000000001 113.389 -165.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 45' ' ' HIS . . . . . . . . . . . . . 7.9 p80 -140.83 13.19 2.28 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 121.73 -0.607 . . . . 2.3100000000000001 110.962 178.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 46' ' ' THR . . . . . . . . . . . . . 86.9 m -76.15 114.82 15.24 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 108.995 -0.743 . . . . 0.53000000000000003 108.995 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 47' ' ' SER . . . . . . . . . . . . . 50.4 m -97.45 -177.27 3.76 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.185 0.517 . . . . 0.68000000000000005 111.996 -171.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 48' ' ' ASP . . . . . 0.401 ' CB ' ' HA ' ' S' ' 65' ' ' VAL . 7.8 p-10 -59.88 -38.24 81.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.058 -0.974 . . . . 1.29 111.994 -174.064 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 49' ' ' LYS . . . . . 0.48 ' HG3' ' N ' ' S' ' 50' ' ' THR . 5.0 ptpp? -59.24 -33.55 71.15 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.876 0.369 . . . . 2.5 110.837 -178.436 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 50' ' ' THR . . . . . 0.48 ' N ' ' HG3' ' S' ' 49' ' ' LYS . 7.9 m -76.6 -47.91 20.87 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.126 -0.488 . . . . 0.42999999999999999 110.809 -177.205 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 51' ' ' LEU . . . . . . . . . . . . . 21.1 tp -64.22 -42.59 96.5 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.418 -0.355 . . . . 0.46000000000000002 110.92 -179.426 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 52' ' ' HIS . . . . . . . . . . . . . 11.2 t-80 -61.36 -52.2 65.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.08 -0.509 . . . . 0.55000000000000004 110.873 178.53 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 53' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -60.31 -30.04 69.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 2.2400000000000002 111.643 -175.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 54' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -74.54 -49.96 19.93 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.395 -0.366 . . . . 0.55000000000000004 111.469 -179.498 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 55' ' ' PHE . . . . . 0.448 ' HA ' ' HD2' ' S' ' 58' ' ' PHE . 38.9 m-85 -78.03 -20.77 51.81 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.655 0.613 . . . . 0.5 112.655 -173.396 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 56' ' ' GLU . . . . . 0.415 ' HA ' ' O ' ' S' ' 59' ' ' GLY . 30.3 tt0 -64.49 -20.7 66.36 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.244 0.545 . . . . 1.47 110.748 -179.435 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 57' ' ' GLN . . . . . . . . . . . . . 34.0 tp60 -62.7 -32.14 73.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.566 -0.743 . . . . 2.98 110.711 173.411 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 58' ' ' PHE . . . . . 0.448 ' HD2' ' HA ' ' S' ' 55' ' ' PHE . 85.6 m-85 -89.0 -12.23 42.0 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.818 0.342 . . . . 0.65000000000000002 111.035 -177.034 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 59' ' ' GLY . . . . . 0.415 ' O ' ' HA ' ' S' ' 56' ' ' GLU . . . 160.94 167.92 22.08 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.693 -0.765 . . . . 0.44 112.095 179.003 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 60' ' ' ASP . . . . . 0.623 ' HB2' ' HD2' ' S' ' 84' ' ' LYS . 3.6 m-20 -68.02 144.84 54.96 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 110.143 -0.318 . . . . 1.99 110.143 -179.387 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 61' ' ' ILE . . . . . . . . . . . . . 75.3 mt -118.71 139.28 46.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.996 0.427 . . . . 0.42999999999999999 111.493 -172.478 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 62' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -76.65 -55.61 5.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.003 -0.544 . . . . 1.9099999999999999 110.148 173.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 63' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -161.94 120.71 2.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.682 -0.69 . . . . 1.8100000000000001 110.489 -176.646 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 64' ' ' ALA . . . . . 0.503 ' HB2' HG13 ' S' ' 81' ' ' VAL . . . -126.18 110.17 13.17 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.935 -0.575 . . . . 0.38 110.617 178.816 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 65' ' ' VAL . . . . . 0.401 ' HA ' ' CB ' ' S' ' 48' ' ' ASP . 33.9 m -131.16 142.96 42.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.824 0.345 . . . . 0.35999999999999999 111.017 -177.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 66' ' ' VAL . . . . . 0.464 HG13 ' O ' ' S' ' 78' ' ' TYR . 94.3 t -95.49 123.03 47.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 108.616 -0.883 . . . . 0.29999999999999999 108.616 172.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 67' ' ' ILE . . . . . . . . . . . . . 49.3 mm -68.97 126.72 29.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.048 -0.524 . . . . 0.46999999999999997 111.48 -170.354 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 68' ' ' THR . . . . . . . . . . . . . 4.7 p -99.93 131.84 45.65 Favored 'General case' 0 N--CA 1.443 -0.817 0 CA-C-N 115.349 -0.842 . . . . 0.78000000000000003 109.39 176.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 69' ' ' ASP . . . . . 0.499 ' HB3' ' OG1' ' S' ' 72' ' ' THR . 28.3 t70 -64.25 148.18 50.74 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.322 -0.399 . . . . 1.75 110.904 -176.357 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 70' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 -73.35 -22.75 60.22 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.187 -0.46 . . . . 4.0199999999999996 111.629 -174.197 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 71' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -94.85 -52.02 4.44 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.505 -0.316 . . . . 2.6400000000000001 111.07 -178.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 72' ' ' THR . . . . . 0.499 ' OG1' ' HB3' ' S' ' 69' ' ' ASP . 39.9 p -82.78 -23.75 33.74 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.347 -0.388 . . . . 1.8400000000000001 111.75 -176.298 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 73' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 58.64 30.5 19.97 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 121.315 0.579 . . . . 2.3500000000000001 111.316 -177.261 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 74' ' ' LYS . . . . . . . . . . . . . 58.8 mttp -124.95 168.56 13.13 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.321 -0.854 . . . . 2.77 109.913 178.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 75' ' ' SER . . . . . . . . . . . . . 37.1 m -60.41 130.84 48.62 Favored 'General case' 0 C--N 1.329 -0.316 0 O-C-N 123.735 0.647 . . . . 1.51 111.388 -177.353 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 76' ' ' ARG . . . . . . . . . . . . . 86.4 mtt180 -84.82 6.64 23.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.008 0.432 . . . . 2.54 111.162 176.391 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 77' ' ' GLY . . . . . . . . . . . . . . . 81.41 17.41 71.36 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.503 -0.856 . . . . 0.53000000000000003 112.902 175.624 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 78' ' ' TYR . . . . . 0.464 ' O ' HG13 ' S' ' 66' ' ' VAL . 22.1 p90 -152.48 153.97 34.57 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 110.022 -0.362 . . . . 0.59999999999999998 110.022 176.588 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 79' ' ' GLY . . . . . . . . . . . . . . . -142.5 165.08 26.86 Favored Glycine 0 N--CA 1.445 -0.735 0 C-N-CA 120.807 -0.711 . . . . 0.17000000000000001 112.0 179.587 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 80' ' ' PHE . . . . . 0.497 ' O ' ' HA ' ' S' ' 64' ' ' ALA . 88.9 m-85 -117.67 134.93 54.37 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.899 -0.408 . . . . 0.39000000000000001 109.899 178.599 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 81' ' ' VAL . . . . . 0.503 HG13 ' HB2' ' S' ' 64' ' ' ALA . 48.4 t -123.17 109.16 22.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.324 -0.398 . . . . 0.23999999999999999 110.578 -179.791 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 82' ' ' THR . . . . . . . . . . . . . 20.8 m -90.91 112.77 24.76 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 109.233 -0.654 . . . . 0.29999999999999999 109.233 177.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 83' ' ' MET . . . . . 0.557 ' HG3' ' HA ' ' S' ' 89' ' ' ALA . 94.6 mmm -85.23 165.09 17.65 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 123.366 0.416 . . . . 0.71999999999999997 110.629 -177.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 84' ' ' LYS . . . . . 0.623 ' HD2' ' HB2' ' S' ' 60' ' ' ASP . 13.8 ptmm? -63.42 -41.55 98.71 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.876 -0.602 . . . . 2.21 110.963 179.127 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 85' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -137.88 170.36 16.19 Favored 'General case' 0 CA--C 1.511 -0.541 0 CA-C-N 115.437 -0.801 . . . . 1.8500000000000001 110.162 -175.073 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 86' ' ' ARG . . . . . . . . . . . . . 36.4 ptt180 -74.38 -22.98 58.93 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.468 -0.787 . . . . 3.96 109.752 173.116 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 87' ' ' ALA . . . . . . . . . . . . . . . -75.83 -38.98 57.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.62 110.899 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 88' ' ' SER . . . . . . . . . . . . . 29.5 p -70.61 -39.41 73.77 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.261 -0.644 . . . . 0.88 109.261 175.47 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 89' ' ' ALA . . . . . 0.557 ' HA ' ' HG3' ' S' ' 83' ' ' MET . . . -56.56 -49.05 75.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.163 -0.926 . . . . 0.34999999999999998 111.053 174.081 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 90' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -55.94 -41.61 74.92 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 116.338 -0.392 . . . . 1.8500000000000001 111.394 177.122 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 91' ' ' ARG . . . . . . . . . . . . . 37.4 ttp180 -68.26 -22.97 64.72 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.347 -0.388 . . . . 2.9199999999999999 110.792 -177.705 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 92' ' ' ALA . . . . . . . . . . . . . . . -89.69 -32.27 17.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.175 -0.466 . . . . 0.46999999999999997 111.024 176.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 93' ' ' CYS . . . . . . . . . . . . . 52.4 m -93.79 7.89 43.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.172 0.51 . . . . 1.3500000000000001 110.892 -178.467 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 94' ' ' LYS . . . . . . . . . . . . . 14.2 tppt? -67.94 -11.57 59.05 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.747 -0.66 . . . . 2.9500000000000002 110.969 179.062 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 95' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -129.13 115.39 18.73 Favored Pre-proline 0 C--N 1.323 -0.573 0 N-CA-C 108.903 -0.777 . . . . 2.1299999999999999 108.903 171.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 96' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -69.55 -25.58 29.45 Favored 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 122.433 2.089 . . . . 0.76000000000000001 113.389 -175.43 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 97' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -136.31 75.34 52.69 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-O 120.611 0.243 . . . . 1.0800000000000001 111.47 -175.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 98' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -87.94 161.2 7.44 Favored 'Trans proline' 0 N--CA 1.452 -0.964 0 C-N-CA 122.61 2.207 . . . . 0.53000000000000003 111.62 176.114 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 99' ' ' ILE . . . . . . . . . . . . . 52.0 mm -90.81 107.34 18.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.132 -0.485 . . . . 0.51000000000000001 110.247 178.425 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 100' ' ' ILE . . . . . . . . . . . . . 47.6 mt -112.74 116.76 53.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.908 -0.587 . . . . 0.56999999999999995 110.238 -177.451 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 101' ' ' ASP . . . . . . . . . . . . . 24.8 t0 63.55 26.12 14.62 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.858 0.837 . . . . 1.3999999999999999 110.544 175.177 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 102' ' ' GLY . . . . . . . . . . . . . . . 88.43 10.16 68.42 Favored Glycine 0 N--CA 1.449 -0.444 0 CA-C-N 115.587 -0.733 . . . . 0.81999999999999995 112.619 178.605 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 103' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' S' ' 103' ' ' ARG . 3.6 tpt180 -127.92 140.34 52.06 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.66 0.267 . . . . 3.1099999999999999 110.492 -177.712 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 104' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -78.49 111.68 14.78 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 110.011 -0.366 . . . . 1.98 110.011 176.109 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 105' ' ' ALA . . . . . . . . . . . . . . . -106.88 165.71 11.13 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.011 -0.54 . . . . 0.33000000000000002 111.178 -175.33 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 106' ' ' ASN . . . . . . . . . . . . . 62.4 m-80 -112.0 118.08 34.46 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.932 -0.576 . . . . 1.99 109.673 177.663 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 107' ' ' VAL . . . . . . . . . . . . . 55.9 t -109.13 128.26 65.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.299 -0.41 . . . . 0.33000000000000002 110.61 -177.218 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 108' ' ' ASN . . . . . . . . . . . . . 58.6 t30 -160.17 164.31 32.98 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.655 -0.498 . . . . 1.76 109.655 -178.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 109' ' ' LEU . . . . . . . . . . . . . 97.6 mt -75.03 143.81 43.35 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 120.675 0.274 . . . . 0.56999999999999995 110.627 178.181 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.5 -26.55 68.61 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.886 0.699 . . . . 0.66000000000000003 112.886 -173.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 111' ' ' TYR . . . . . . . . . . . . . 7.2 p90 -79.9 -5.54 55.75 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.388 -0.525 . . . . 1.25 110.392 -178.306 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 112' ' ' LEU . . . . . . . . . . . . . 97.9 mt -112.97 -0.43 14.79 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.119 -0.491 . . . . 1.54 110.6 177.587 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 113' ' ' GLY . . . . . . . . . . . . . . . -178.6 123.34 0.86 Allowed Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 121.015 -0.612 . . . . 1.9399999999999999 111.922 -178.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 114' ' ' ALA . . . . . . . . . . . . . . . -113.24 -176.79 2.98 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 110.509 -0.182 . . . . 1.6200000000000001 110.509 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.22 126.11 44.09 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-O 121.206 0.526 . . . . 5.2699999999999996 111.613 -175.723 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 116' ' ' PRO . . . . . 0.795 ' HD3' ' HZ ' ' S' ' 38' ' ' PHE . 72.4 Cg_endo -80.94 72.51 6.49 Favored 'Trans proline' 0 N--CA 1.459 -0.533 0 C-N-CA 122.903 2.402 . . . . 2.96 112.581 -173.259 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 117' ' ' ARG . . . . . 0.656 ' NE ' ' HA ' ' S' ' 117' ' ' ARG . 1.5 mmp_? -126.05 6.54 7.22 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.268 -0.424 . . . . 4.5 111.631 -179.642 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 118' ' ' THR . . . . . . . . . . . . . 9.3 m -111.47 104.54 12.97 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.92 -0.4 . . . . 6.2999999999999998 109.92 178.594 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 119' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -105.23 93.83 4.9 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.056 0.455 . . . . 6.9100000000000001 111.256 -179.375 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 120' ' ' VAL . . . . . . . . . . . . . 44.2 t -112.96 87.01 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 N-CA-C 108.896 -0.779 . . . . 8.8900000000000006 108.896 172.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 121' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 . . . . . 0 C--O 1.249 1.062 0 O-C-N 124.172 0.92 . . . . 11.5 110.745 -177.405 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' S' S ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.636 0 N-CA-C 111.829 -0.508 . . . . 11.029999999999999 111.829 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' S' S ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.2 -41.56 99.18 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.733 0.301 . . . . 9.4600000000000009 111.476 -179.467 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 27' ' ' MET . . . . . . . . . . . . . 26.4 ptt? -98.55 160.51 14.23 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.259 -0.428 . . . . 9.9100000000000001 110.646 -178.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 28' ' ' GLY . . . . . . . . . . . . . . . 139.83 -172.14 23.51 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.945 -0.645 . . . . 5.7699999999999996 111.784 177.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 29' ' ' SER . . . . . . . . . . . . . 5.0 t -144.24 -62.79 0.38 Allowed 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.383 -0.599 . . . . 4.4500000000000002 109.383 178.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 30' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' S' ' 30' ' ' ARG . 12.2 ptt180 -125.76 103.06 7.61 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.291 0.567 . . . . 7.0300000000000002 109.98 174.718 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 31' ' ' ASP . . . . . . . . . . . . . 20.6 p-10 -86.77 -2.58 58.67 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.964 -0.562 . . . . 3.3900000000000001 111.039 -175.609 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 32' ' ' THR . . . . . . . . . . . . . 21.0 p -74.54 4.42 6.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.914 -0.585 . . . . 1.26 111.82 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 54.7 ttp -63.67 -24.35 67.75 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.016 0.436 . . . . 1.3899999999999999 110.957 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 34' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -106.18 5.9 30.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.193 -0.458 . . . . 0.96999999999999997 111.727 -178.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 35' ' ' THR . . . . . 0.543 ' HB ' ' O ' ' S' ' 83' ' ' MET . 69.2 p -123.06 -17.0 6.84 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.318 0.58 . . . . 0.55000000000000004 110.365 -178.002 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 36' ' ' LYS . . . . . . . . . . . . . 49.7 tttm -87.22 104.06 16.02 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.217 -0.901 . . . . 1.95 109.673 178.224 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 37' ' ' ILE . . . . . 0.452 HG12 HD23 ' S' ' 109' ' ' LEU . 42.4 mt -96.7 143.73 11.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.576 -0.738 . . . . 0.40999999999999998 111.271 -177.104 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 38' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -100.61 129.02 46.48 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.013 -0.539 . . . . 0.45000000000000001 109.792 176.139 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 39' ' ' VAL . . . . . 0.595 HG13 HG22 ' S' ' 107' ' ' VAL . 21.7 t -122.3 101.45 9.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 109.916 -0.401 . . . . 0.20000000000000001 109.916 179.431 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 40' ' ' GLY . . . . . . . . . . . . . . . -108.72 167.52 13.12 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.492 -0.861 . . . . 0.27000000000000002 111.881 -178.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 41' ' ' GLY . . . . . . . . . . . . . . . 86.08 15.53 64.7 Favored Glycine 0 N--CA 1.453 -0.18 0 C-N-CA 120.819 -0.705 . . . . 0.48999999999999999 112.273 177.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 42' ' ' LEU . . . . . . . . . . . . . 97.1 mt -80.87 155.56 72.94 Favored Pre-proline 0 C--N 1.323 -0.549 0 N-CA-C 110.263 -0.273 . . . . 0.59999999999999998 110.263 -178.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 43' ' ' PRO . . . . . 0.705 ' HG3' ' HG2' ' S' ' 103' ' ' ARG . 6.7 Cg_exo -70.95 165.53 32.01 Favored 'Trans proline' 0 N--CA 1.455 -0.792 0 C-N-CA 122.301 2.001 . . . . 0.55000000000000004 111.4 172.739 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 44' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -78.95 -5.41 53.68 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.217 0.532 . . . . 2.4100000000000001 109.928 -178.705 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 45' ' ' HIS . . . . . . . . . . . . . 14.1 m80 -90.74 -11.99 37.93 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.039 -0.982 . . . . 2.3100000000000001 109.831 -176.723 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 46' ' ' THR . . . . . 0.581 ' OG1' ' HD2' ' S' ' 43' ' ' PRO . 43.3 m -78.72 117.03 19.47 Favored 'General case' 0 N--CA 1.44 -0.949 0 CA-C-N 115.958 -0.564 . . . . 0.53000000000000003 110.201 -173.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 47' ' ' SER . . . . . . . . . . . . . 6.3 m -94.33 169.46 10.21 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.218 -0.446 . . . . 0.68000000000000005 110.431 -178.426 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 48' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -56.0 -42.63 76.71 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.277 0.56 . . . . 1.29 109.951 178.377 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 49' ' ' LYS . . . . . . . . . . . . . 46.7 pttt -58.37 -35.52 72.1 Favored 'General case' 0 C--O 1.225 -0.216 0 CA-C-N 115.227 -0.897 . . . . 2.5 111.245 176.593 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 50' ' ' THR . . . . . . . . . . . . . 19.1 m -73.19 -44.16 60.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.413 -0.358 . . . . 0.42999999999999999 110.847 -175.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 51' ' ' LEU . . . . . 0.538 HD22 ' HA3' ' S' ' 79' ' ' GLY . 34.0 tp -58.51 -44.35 89.43 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 120.942 0.401 . . . . 0.46000000000000002 109.943 175.496 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 52' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -62.75 -51.99 64.96 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.842 -0.617 . . . . 0.55000000000000004 110.678 177.515 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 53' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -54.9 -41.63 71.18 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.679 -0.691 . . . . 2.2400000000000002 111.715 -176.128 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 54' ' ' TYR . . . . . 0.467 ' O ' ' HG2' ' S' ' 57' ' ' GLN . 87.1 t80 -70.26 -43.38 70.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.774 0.321 . . . . 0.55000000000000004 111.684 -177.73 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 55' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -83.53 -19.36 35.82 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 111.921 0.341 . . . . 0.5 111.921 -175.289 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 56' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -52.35 -27.78 16.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.87 -0.605 . . . . 1.47 111.643 177.615 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 57' ' ' GLN . . . . . 0.467 ' HG2' ' O ' ' S' ' 54' ' ' TYR . 16.4 mm-40 -61.34 -35.12 76.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.531 0.681 . . . . 2.98 110.586 -177.742 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 58' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -83.54 -33.69 25.42 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.32 -0.855 . . . . 0.65000000000000002 112.544 -173.208 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 59' ' ' GLY . . . . . . . . . . . . . . . 173.72 -175.02 46.39 Favored Glycine 0 C--O 1.229 -0.173 0 C-N-CA 119.914 -1.136 . . . . 0.44 113.041 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 60' ' ' ASP . . . . . 0.779 ' HB2' ' HG2' ' S' ' 84' ' ' LYS . 3.5 m-20 -67.67 141.48 56.67 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-O 120.821 0.343 . . . . 1.99 110.559 -178.558 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 61' ' ' ILE . . . . . 0.527 HG21 ' HB2' ' S' ' 64' ' ' ALA . 60.1 mt -120.66 128.85 76.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.805 -0.634 . . . . 0.42999999999999999 110.607 -178.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 62' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -79.11 -49.6 12.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.174 -0.466 . . . . 1.9099999999999999 110.078 177.238 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 63' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -146.05 127.37 14.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.866 -0.606 . . . . 1.8100000000000001 110.582 -177.532 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 64' ' ' ALA . . . . . 0.527 ' HB2' HG21 ' S' ' 61' ' ' ILE . . . -139.31 107.43 5.74 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.862 -0.422 . . . . 0.38 109.862 177.446 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 65' ' ' VAL . . . . . . . . . . . . . 29.9 m -136.87 149.86 26.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.137 -0.483 . . . . 0.35999999999999999 111.284 -177.007 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 66' ' ' VAL . . . . . . . . . . . . . 99.4 t -103.84 111.84 35.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 109.001 -0.74 . . . . 0.29999999999999999 109.001 174.583 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 67' ' ' ILE . . . . . . . . . . . . . 47.3 mm -69.06 128.18 32.12 Favored 'Isoleucine or valine' 0 C--O 1.238 0.499 0 CA-C-N 115.994 -0.548 . . . . 0.46999999999999997 112.076 -168.477 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 68' ' ' THR . . . . . . . . . . . . . 15.3 p -99.63 160.98 13.89 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.589 -0.732 . . . . 0.78000000000000003 109.803 174.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 69' ' ' ASP . . . . . 0.458 ' O ' ' HA ' ' S' ' 73' ' ' GLN . 23.9 t70 -84.88 150.24 25.12 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.962 -0.384 . . . . 1.75 109.962 178.454 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 70' ' ' ARG . . . . . . . . . . . . . 22.2 mtm180 -78.73 -32.58 46.86 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.933 -0.307 . . . . 4.0199999999999996 111.604 -175.4 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 71' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -86.96 -34.27 19.36 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.669 0.271 . . . . 2.6400000000000001 111.27 -174.557 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 72' ' ' THR . . . . . 0.436 ' OG1' ' HB3' ' S' ' 69' ' ' ASP . 60.1 p -99.25 -26.21 14.25 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.868 -0.333 . . . . 1.8400000000000001 111.235 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 73' ' ' GLN . . . . . 0.458 ' HA ' ' O ' ' S' ' 69' ' ' ASP . 15.9 mm-40 61.02 23.35 13.52 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.731 -0.668 . . . . 2.3500000000000001 111.633 -176.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 74' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -103.88 158.76 16.18 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.638 -0.71 . . . . 2.77 109.239 175.062 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 75' ' ' SER . . . . . . . . . . . . . 1.7 p -66.28 132.61 48.79 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.786 0.326 . . . . 1.51 110.825 179.158 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 76' ' ' ARG . . . . . 0.552 ' HD2' ' HE1' ' S' ' 78' ' ' TYR . 92.0 mtt180 -79.64 -17.38 53.9 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.284 -0.416 . . . . 2.54 110.583 -178.391 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 77' ' ' GLY . . . . . . . . . . . . . . . 97.53 30.7 7.13 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.91 -0.662 . . . . 0.53000000000000003 112.696 178.124 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 78' ' ' TYR . . . . . 0.552 ' HE1' ' HD2' ' S' ' 76' ' ' ARG . 19.0 p90 -161.06 156.93 25.31 Favored 'General case' 0 C--N 1.329 -0.318 0 O-C-N 122.574 -0.368 . . . . 0.59999999999999998 110.134 177.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 79' ' ' GLY . . . . . 0.538 ' HA3' HD22 ' S' ' 51' ' ' LEU . . . -142.29 171.08 24.78 Favored Glycine 0 N--CA 1.447 -0.577 0 CA-C-N 115.972 -0.558 . . . . 0.17000000000000001 112.172 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 80' ' ' PHE . . . . . 0.468 ' CE2' ' HE2' ' S' ' 78' ' ' TYR . 91.0 m-85 -120.25 135.72 54.9 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 110.393 -0.225 . . . . 0.39000000000000001 110.393 176.419 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 81' ' ' VAL . . . . . . . . . . . . . 58.8 t -120.65 107.91 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 109.924 -0.399 . . . . 0.23999999999999999 109.924 177.103 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 82' ' ' THR . . . . . . . . . . . . . 10.6 m -97.1 107.99 20.63 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 109.179 -0.674 . . . . 0.29999999999999999 109.179 177.054 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 83' ' ' MET . . . . . 0.69 ' SD ' ' HA ' ' S' ' 89' ' ' ALA . 52.6 mtp -91.41 162.1 14.72 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.956 -0.387 . . . . 0.71999999999999997 109.956 -178.276 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 84' ' ' LYS . . . . . 0.928 ' HD2' ' HB3' ' S' ' 85' ' ' ASP . 0.0 OUTLIER -72.02 -16.22 62.05 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 113.186 0.81 . . . . 2.21 113.186 -170.343 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' S' S ' 85' ' ' ASP . . . . . 0.928 ' HB3' ' HD2' ' S' ' 84' ' ' LYS . 0.0 OUTLIER -157.2 160.65 38.92 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.629 0.252 . . . . 1.8500000000000001 110.721 -177.954 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' S' S ' 86' ' ' ARG . . . . . 0.491 ' O ' ' HG3' ' S' ' 90' ' ' GLU . 17.9 ttp180 -65.67 -41.22 92.75 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.917 -0.583 . . . . 3.96 111.429 -175.49 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.18 -45.1 93.33 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 120.759 0.314 . . . . 0.62 111.076 -175.059 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 88' ' ' SER . . . . . . . . . . . . . 8.8 p -66.86 -38.74 86.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.88 110.651 176.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 89' ' ' ALA . . . . . 0.69 ' HA ' ' SD ' ' S' ' 83' ' ' MET . . . -60.07 -45.73 91.92 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 116.195 -0.457 . . . . 0.34999999999999998 110.751 177.074 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 90' ' ' GLU . . . . . 0.572 ' O ' ' HG2' ' S' ' 94' ' ' LYS . 52.0 mt-10 -65.86 -31.89 73.09 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 116.334 -0.394 . . . . 1.8500000000000001 110.31 178.474 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 91' ' ' ARG . . . . . . . . . . . . . 44.6 ttt180 -62.21 -32.42 73.08 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.709 -0.478 . . . . 2.9199999999999999 109.709 177.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 92' ' ' ALA . . . . . . . . . . . . . . . -84.32 -33.98 23.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.823 -0.626 . . . . 0.46999999999999997 110.425 177.211 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 93' ' ' CYS . . . . . . . . . . . . . 18.2 t -80.63 1.18 30.97 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.729 -0.668 . . . . 1.3500000000000001 111.084 -178.226 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 94' ' ' LYS . . . . . 0.572 ' HG2' ' O ' ' S' ' 90' ' ' GLU . 37.4 mmtm -67.29 -16.05 64.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.318 -0.401 . . . . 2.9500000000000002 111.457 175.538 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 95' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -122.03 96.38 46.73 Favored Pre-proline 0 C--N 1.324 -0.502 0 N-CA-C 109.363 -0.606 . . . . 2.1299999999999999 109.363 177.415 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 96' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -74.52 -29.7 8.84 Favored 'Trans proline' 0 N--CA 1.463 -0.286 0 C-N-CA 122.531 2.154 . . . . 0.76000000000000001 113.383 -174.285 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 97' ' ' ASN . . . . . 0.549 ' HA ' ' O ' ' S' ' 105' ' ' ALA . 93.3 m-20 -126.43 70.7 70.92 Favored Pre-proline 0 C--O 1.235 0.312 0 CA-C-O 120.781 0.324 . . . . 1.0800000000000001 111.344 -177.675 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 98' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_endo -85.4 165.23 10.9 Favored 'Trans proline' 0 N--CA 1.454 -0.822 0 C-N-CA 123.128 2.552 . . . . 0.53000000000000003 112.327 -178.438 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 99' ' ' ILE . . . . . . . . . . . . . 45.1 mm -96.91 102.89 14.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 N-CA-C 109.26 -0.645 . . . . 0.51000000000000001 109.26 175.69 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 100' ' ' ILE . . . . . . . . . . . . . 56.8 mt -118.54 115.61 48.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.366 -0.379 . . . . 0.56999999999999995 110.568 -175.206 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 101' ' ' ASP . . . . . 0.468 ' HB3' ' HG2' ' S' ' 43' ' ' PRO . 24.1 t0 63.78 20.52 12.26 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 115.46 -0.791 . . . . 1.3999999999999999 110.63 173.474 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 102' ' ' GLY . . . . . . . . . . . . . . . 107.76 -17.46 35.83 Favored Glycine 0 C--N 1.332 0.308 0 CA-C-N 115.688 -0.687 . . . . 0.81999999999999995 113.33 176.116 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 103' ' ' ARG . . . . . 0.705 ' HG2' ' HG3' ' S' ' 43' ' ' PRO . 27.0 mmm180 -108.47 148.24 30.5 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 117.12 0.46 . . . . 3.1099999999999999 111.211 -179.566 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 104' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm -80.58 113.64 18.91 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.029 -0.73 . . . . 1.98 109.029 171.702 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 105' ' ' ALA . . . . . 0.549 ' O ' ' HA ' ' S' ' 97' ' ' ASN . . . -93.61 165.41 12.74 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.587 -0.733 . . . . 0.33000000000000002 111.031 -174.533 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 106' ' ' ASN . . . . . . . . . . . . . 40.2 t-20 -117.85 108.75 15.71 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.524 -0.917 . . . . 1.99 108.524 174.426 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 107' ' ' VAL . . . . . 0.595 HG22 HG13 ' S' ' 39' ' ' VAL . 48.5 t -106.41 126.51 62.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.914 -0.584 . . . . 0.33000000000000002 110.088 -177.463 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 108' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -160.3 147.6 16.13 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.018 -0.537 . . . . 1.76 109.669 -177.086 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 109' ' ' LEU . . . . . 0.452 HD23 HG12 ' S' ' 37' ' ' ILE . 93.2 mt -57.38 135.15 56.52 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.843 0.354 . . . . 0.56999999999999995 110.633 -179.572 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 110' ' ' ALA . . . . . 0.601 ' HA ' ' O ' ' S' ' 113' ' ' GLY . . . -68.13 -11.32 58.94 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 113.716 1.006 . . . . 0.66000000000000003 113.716 -167.45 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 111' ' ' TYR . . . . . . . . . . . . . 21.7 p90 -85.71 -10.02 56.29 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.028 -0.669 . . . . 1.25 110.07 177.052 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 112' ' ' LEU . . . . . . . . . . . . . 97.1 mt -107.18 -47.32 3.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.661 -0.7 . . . . 1.54 109.719 175.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 113' ' ' GLY . . . . . 0.601 ' O ' ' HA ' ' S' ' 110' ' ' ALA . . . -116.9 127.54 7.48 Favored Glycine 0 N--CA 1.447 -0.614 0 N-CA-C 111.076 -0.81 . . . . 1.9399999999999999 111.076 176.672 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 114' ' ' ALA . . . . . . . . . . . . . . . -128.82 -176.07 3.73 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.734 0.302 . . . . 1.6200000000000001 111.388 -174.659 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 115' ' ' LYS . . . . . 0.581 ' HE3' ' HA ' ' S' ' 118' ' ' THR . 56.3 pttt -50.78 127.83 26.35 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 115.399 -0.819 . . . . 5.2699999999999996 111.338 -177.519 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 116' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -54.23 -49.86 15.54 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 123.115 2.544 . . . . 2.96 111.933 -178.672 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 117' ' ' ARG . . . . . 0.465 ' HD2' ' HD3' ' S' ' 76' ' ' ARG . 16.8 ptp180 -85.62 78.14 9.69 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.122 -0.945 . . . . 4.5 108.999 173.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 118' ' ' THR . . . . . 0.581 ' HA ' ' HE3' ' S' ' 115' ' ' LYS . 0.5 OUTLIER -79.09 -77.16 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.467 -0.788 . . . . 6.2999999999999998 110.646 -175.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' S' S ' 119' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -174.23 149.36 1.39 Allowed 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.328 -0.99 . . . . 6.9100000000000001 108.328 176.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 120' ' ' VAL . . . . . . . . . . . . . 27.6 m -109.63 168.46 3.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 121.161 0.505 . . . . 8.8900000000000006 111.439 -176.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 121' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 . . . . . 0 C--O 1.247 0.968 0 CA-C-N 115.632 -0.713 . . . . 11.5 109.112 177.276 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' S' S ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.78 0 N-CA-C 112.067 -0.413 . . . . 11.029999999999999 112.067 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' S' S ' 26' ' ' ALA . . . . . . . . . . . . . . . 66.61 -73.98 0.07 Allowed 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 123.511 0.724 . . . . 9.4600000000000009 111.219 -177.445 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 27' ' ' MET . . . . . . . . . . . . . 66.3 mtt -138.8 -82.68 0.29 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.237 0.541 . . . . 9.9100000000000001 109.889 179.601 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 28' ' ' GLY . . . . . . . . . . . . . . . 171.2 144.96 4.61 Favored Glycine 0 N--CA 1.444 -0.827 0 N-CA-C 111.211 -0.756 . . . . 5.7699999999999996 111.211 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 29' ' ' SER . . . . . 0.65 ' HB2' HG21 ' S' ' 32' ' ' THR . 28.9 p -157.54 143.86 17.78 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.903 0.351 . . . . 4.4500000000000002 110.338 -179.294 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 30' ' ' ARG . . . . . . . . . . . . . 60.0 mtm180 -103.96 121.82 43.93 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.08 -0.509 . . . . 7.0300000000000002 111.599 -172.63 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 31' ' ' ASP . . . . . 0.512 ' OD2' ' HD2' ' S' ' 86' ' ' ARG . 4.5 m-20 56.48 19.49 4.17 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.897 0.879 . . . . 3.3900000000000001 112.408 176.597 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 32' ' ' THR . . . . . 0.65 HG21 ' HB2' ' S' ' 29' ' ' SER . 2.3 p -67.53 -32.86 73.94 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 112.201 0.445 . . . . 1.26 112.201 -175.273 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 60.6 mtm -61.31 -27.61 68.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.435 -0.348 . . . . 1.3899999999999999 111.168 -179.562 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 34' ' ' PHE . . . . . 0.485 ' HB2' ' HG2' ' S' ' 86' ' ' ARG . 29.9 m-85 -109.27 19.18 19.7 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.312 -0.404 . . . . 0.96999999999999997 111.39 -176.627 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 35' ' ' THR . . . . . 0.478 ' OG1' ' HA ' ' S' ' 32' ' ' THR . 7.2 p -132.31 -36.66 1.12 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.68 0.276 . . . . 0.55000000000000004 111.086 178.811 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 36' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -83.97 103.48 13.26 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.398 0.618 . . . . 1.95 110.562 178.578 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 37' ' ' ILE . . . . . . . . . . . . . 55.3 mt -96.69 145.53 8.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.58 -0.736 . . . . 0.40999999999999998 110.84 -177.605 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 38' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -99.26 123.35 43.47 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.927 -0.579 . . . . 0.45000000000000001 109.789 176.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 39' ' ' VAL . . . . . . . . . . . . . 26.1 t -119.28 108.91 24.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 120.699 0.285 . . . . 0.20000000000000001 110.58 -179.125 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 40' ' ' GLY . . . . . . . . . . . . . . . -106.39 161.39 14.15 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 121.0 -0.619 . . . . 0.27000000000000002 111.693 179.504 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 41' ' ' GLY . . . . . . . . . . . . . . . 96.5 24.9 12.89 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.445 -0.884 . . . . 0.48999999999999999 112.227 177.465 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 42' ' ' LEU . . . . . 0.432 ' O ' ' HA2' ' S' ' 77' ' ' GLY . 90.4 mt -91.66 136.57 26.39 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-O 120.807 0.337 . . . . 0.59999999999999998 110.241 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 43' ' ' PRO . . . . . 0.434 ' HD2' ' OG1' ' S' ' 46' ' ' THR . 34.1 Cg_exo -60.42 163.09 15.8 Favored 'Trans proline' 0 CA--C 1.534 0.497 0 C-N-CA 122.77 2.313 . . . . 0.55000000000000004 112.215 173.396 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 44' ' ' TYR . . . . . 0.574 ' HA ' ' HB2' ' S' ' 75' ' ' SER . 23.8 m-85 -76.4 -13.85 60.1 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.898 -0.592 . . . . 2.4100000000000001 111.925 -172.074 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 45' ' ' HIS . . . . . . . . . . . . . 2.4 p80 -104.45 10.08 35.37 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.16 0.505 . . . . 2.3100000000000001 110.226 -179.629 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 46' ' ' THR . . . . . 0.531 HG23 ' HB ' ' S' ' 50' ' ' THR . 96.8 m -85.18 122.01 28.76 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.654 -0.703 . . . . 0.53000000000000003 110.045 178.841 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 47' ' ' SER . . . . . . . . . . . . . 6.3 m -103.75 175.53 5.45 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.172 -0.467 . . . . 0.68000000000000005 111.108 -176.003 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 48' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -50.93 -44.41 60.26 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.558 -0.747 . . . . 1.29 110.83 177.581 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 49' ' ' LYS . . . . . . . . . . . . . 7.2 ptpp? -60.91 -34.18 74.28 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.228 -0.896 . . . . 2.5 111.964 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 50' ' ' THR . . . . . 0.531 ' HB ' HG23 ' S' ' 46' ' ' THR . 3.8 m -71.51 -45.88 61.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.06 0.457 . . . . 0.42999999999999999 110.3 -178.355 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 51' ' ' LEU . . . . . . . . . . . . . 32.6 tp -62.3 -43.72 98.17 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.832 -0.622 . . . . 0.46000000000000002 110.551 176.65 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 52' ' ' HIS . . . . . . . . . . . . . 51.5 t-80 -61.46 -44.71 96.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.676 -0.693 . . . . 0.55000000000000004 110.402 178.461 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 53' ' ' GLU . . . . . . . . . . . . . 18.4 tp10 -49.04 -49.84 39.24 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.558 -0.747 . . . . 2.2400000000000002 111.446 178.539 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 54' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -69.16 -42.71 75.56 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.885 -0.598 . . . . 0.55000000000000004 111.753 -173.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 55' ' ' PHE . . . . . 0.599 ' HA ' ' HD2' ' S' ' 58' ' ' PHE . 47.6 m-85 -83.47 -20.64 33.64 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.639 0.607 . . . . 0.5 112.639 -173.7 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 56' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -65.88 -18.7 65.51 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 121.371 0.605 . . . . 1.47 109.745 176.372 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 57' ' ' GLN . . . . . . . . . . . . . 14.2 tp60 -66.71 -32.75 74.26 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.509 -0.769 . . . . 2.98 110.729 172.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 58' ' ' PHE . . . . . 0.599 ' HD2' ' HA ' ' S' ' 55' ' ' PHE . 98.1 m-85 -82.17 -36.66 27.14 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.604 -0.271 . . . . 0.65000000000000002 110.993 -178.021 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 59' ' ' GLY . . . . . . . . . . . . . . . 167.39 -168.2 40.37 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.584 -0.817 . . . . 0.44 112.794 178.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 60' ' ' ASP . . . . . 0.902 ' HB2' ' HB2' ' S' ' 84' ' ' LYS . 0.8 OUTLIER -61.18 143.87 54.74 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 123.009 0.524 . . . . 1.99 111.421 -179.022 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' S' S ' 61' ' ' ILE . . . . . 0.54 HG21 ' HB2' ' S' ' 64' ' ' ALA . 71.8 mt -124.36 138.96 52.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.301 -0.409 . . . . 0.42999999999999999 110.179 179.527 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 62' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -91.8 -41.67 10.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.889 0.376 . . . . 1.9099999999999999 111.384 177.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 63' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -156.44 115.74 3.48 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.237 -0.438 . . . . 1.8100000000000001 109.84 -174.254 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 64' ' ' ALA . . . . . 0.54 ' HB2' HG21 ' S' ' 61' ' ' ILE . . . -139.21 105.03 5.15 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.667 0.27 . . . . 0.38 111.248 -176.495 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 65' ' ' VAL . . . . . . . . . . . . . 33.5 m -137.1 144.81 31.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.393 -0.367 . . . . 0.35999999999999999 110.808 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 66' ' ' VAL . . . . . . . . . . . . . 86.4 t -89.19 125.55 42.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 108.829 -0.804 . . . . 0.29999999999999999 108.829 173.703 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 67' ' ' ILE . . . . . . . . . . . . . 46.0 mm -78.33 112.12 15.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.257 0.551 . . . . 0.46999999999999997 111.092 -172.599 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 68' ' ' THR . . . . . . . . . . . . . 32.3 p -92.38 156.83 16.96 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.56 -0.746 . . . . 0.78000000000000003 109.897 175.383 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 69' ' ' ASP . . . . . 0.513 ' HA ' ' HE ' ' S' ' 76' ' ' ARG . 14.6 t70 -79.12 145.84 33.52 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.121 -0.696 . . . . 1.75 109.121 175.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 70' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -77.96 -10.27 59.51 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.059 0.392 . . . . 4.0199999999999996 112.059 -172.276 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 71' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -88.73 -52.77 4.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.658 0.266 . . . . 2.6400000000000001 111.463 179.199 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 72' ' ' THR . . . . . . . . . . . . . 22.6 p -97.32 -19.28 18.63 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.193 0.442 . . . . 1.8400000000000001 112.193 -176.339 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 73' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 66.36 18.31 10.85 Favored 'General case' 0 N--CA 1.466 0.35 0 O-C-N 123.447 0.467 . . . . 2.3500000000000001 111.861 -177.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 74' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt -97.86 151.31 20.36 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.038 -0.528 . . . . 2.77 109.952 172.487 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 75' ' ' SER . . . . . 0.574 ' HB2' ' HA ' ' S' ' 44' ' ' TYR . 40.6 m -60.36 136.08 57.93 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.245 -0.434 . . . . 1.51 111.909 -175.831 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 76' ' ' ARG . . . . . 0.513 ' HE ' ' HA ' ' S' ' 69' ' ' ASP . 95.5 mtt180 -77.49 -11.79 59.89 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.01 0.433 . . . . 2.54 110.612 179.759 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 77' ' ' GLY . . . . . 0.432 ' HA2' ' O ' ' S' ' 42' ' ' LEU . . . 107.41 13.03 21.93 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.521 -0.847 . . . . 0.53000000000000003 112.958 178.691 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 78' ' ' TYR . . . . . . . . . . . . . 43.1 p90 -152.91 161.77 42.14 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.721 0.296 . . . . 0.59999999999999998 110.589 178.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 79' ' ' GLY . . . . . . . . . . . . . . . -146.17 165.91 28.11 Favored Glycine 0 N--CA 1.445 -0.757 0 N-CA-C 110.9 -0.88 . . . . 0.17000000000000001 110.9 177.336 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 80' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -114.64 136.17 53.34 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 117.0 0.4 . . . . 0.39000000000000001 110.656 178.269 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 81' ' ' VAL . . . . . . . . . . . . . 39.6 t -126.09 106.05 15.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.09 -0.505 . . . . 0.23999999999999999 110.865 178.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 82' ' ' THR . . . . . 0.462 ' HA ' ' O ' ' S' ' 35' ' ' THR . 35.3 m -89.57 106.13 18.25 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 108.734 -0.839 . . . . 0.29999999999999999 108.734 173.515 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 83' ' ' MET . . . . . 0.701 ' HG3' ' HA ' ' S' ' 89' ' ' ALA . 94.9 mmm -75.17 168.88 19.13 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.173 -0.467 . . . . 0.71999999999999997 110.466 -177.348 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 84' ' ' LYS . . . . . 0.902 ' HB2' ' HB2' ' S' ' 60' ' ' ASP . 13.4 tttp -53.35 -53.5 50.12 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 123.706 0.629 . . . . 2.21 111.881 -179.236 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 85' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -147.47 -178.51 6.28 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.522 -0.763 . . . . 1.8500000000000001 109.776 -177.371 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 86' ' ' ARG . . . . . 0.512 ' HD2' ' OD2' ' S' ' 31' ' ' ASP . 19.9 mtp180 -64.99 -34.75 79.17 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.011 -0.541 . . . . 3.96 111.723 -176.852 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 87' ' ' ALA . . . . . . . . . . . . . . . -71.46 -43.99 65.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.786 0.326 . . . . 0.62 110.368 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 88' ' ' SER . . . . . . . . . . . . . 29.4 m -60.54 -44.92 95.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.029 0.442 . . . . 0.88 110.075 175.385 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 89' ' ' ALA . . . . . 0.701 ' HA ' ' HG3' ' S' ' 83' ' ' MET . . . -56.63 -51.07 70.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.52 -0.764 . . . . 0.34999999999999998 111.486 176.644 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 90' ' ' GLU . . . . . 0.494 ' O ' ' HG2' ' S' ' 94' ' ' LYS . 8.0 mm-40 -54.88 -44.38 74.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.54 -0.3 . . . . 1.8500000000000001 111.579 178.744 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 91' ' ' ARG . . . . . . . . . . . . . 54.1 ttt180 -59.93 -33.57 72.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.676 0.274 . . . . 2.9199999999999999 110.809 -178.064 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 92' ' ' ALA . . . . . . . . . . . . . . . -79.64 -22.74 43.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.346 -0.388 . . . . 0.46999999999999997 111.105 178.673 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 93' ' ' CYS . . . . . . . . . . . . . 49.6 t -94.93 -2.26 50.89 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.261 -0.427 . . . . 1.3500000000000001 111.141 -176.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 94' ' ' LYS . . . . . 0.494 ' HG2' ' O ' ' S' ' 90' ' ' GLU . 31.7 mmmt -67.24 -18.4 65.21 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 111.616 0.228 . . . . 2.9500000000000002 111.616 179.473 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 95' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -118.65 118.63 33.34 Favored Pre-proline 0 C--N 1.326 -0.414 0 N-CA-C 109.756 -0.461 . . . . 2.1299999999999999 109.756 176.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 96' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -80.41 -29.96 2.2 Favored 'Trans proline' 0 C--O 1.237 0.436 0 C-N-CA 122.613 2.209 . . . . 0.76000000000000001 113.975 -173.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 97' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -129.27 80.88 71.54 Favored Pre-proline 0 N--CA 1.464 0.254 0 CA-C-O 120.759 0.314 . . . . 1.0800000000000001 111.477 -174.103 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 98' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_endo -89.22 158.83 5.66 Favored 'Trans proline' 0 N--CA 1.451 -0.979 0 C-N-CA 123.127 2.552 . . . . 0.53000000000000003 112.256 178.391 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 99' ' ' ILE . . . . . . . . . . . . . 46.4 mm -97.52 115.84 38.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 109.921 -0.4 . . . . 0.51000000000000001 109.921 175.64 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 100' ' ' ILE . . . . . . . . . . . . . 59.8 mt -121.59 119.02 57.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.576 -0.284 . . . . 0.56999999999999995 110.29 -179.45 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 101' ' ' ASP . . . . . . . . . . . . . 28.6 t70 64.49 15.55 9.66 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-O 121.782 0.801 . . . . 1.3999999999999999 110.971 175.514 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 102' ' ' GLY . . . . . . . . . . . . . . . 100.17 -2.92 56.67 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.845 -0.693 . . . . 0.81999999999999995 112.708 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 103' ' ' ARG . . . . . . . . . . . . . 46.0 ttt180 -111.19 145.15 39.19 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.875 -0.417 . . . . 3.1099999999999999 109.875 -179.522 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 104' ' ' LYS . . . . . . . . . . . . . 26.7 tttp -79.53 117.97 20.95 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.439 -0.578 . . . . 1.98 109.439 179.398 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 105' ' ' ALA . . . . . . . . . . . . . . . -101.33 165.5 11.24 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.608 0.718 . . . . 0.33000000000000002 112.665 -170.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 106' ' ' ASN . . . . . . . . . . . . . 15.4 m-20 -121.08 108.7 14.14 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.79 -1.095 . . . . 1.99 109.769 177.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 107' ' ' VAL . . . . . . . . . . . . . 61.2 t -101.54 127.94 54.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 109.527 -0.546 . . . . 0.33000000000000002 109.527 177.307 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 108' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -156.53 152.23 27.07 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 110.411 -0.218 . . . . 1.76 110.411 -176.391 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 109' ' ' LEU . . . . . 0.446 HD13 ' HE2' ' S' ' 111' ' ' TYR . 98.1 mt -74.87 132.24 41.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.916 0.388 . . . . 0.56999999999999995 110.273 178.801 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.29 -40.03 96.22 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 113.157 0.799 . . . . 0.66000000000000003 113.157 -170.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 111' ' ' TYR . . . . . 0.446 ' HE2' HD13 ' S' ' 109' ' ' LEU . 28.0 p90 -66.44 -18.76 65.55 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 111.735 0.272 . . . . 1.25 111.735 -172.809 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 112' ' ' LEU . . . . . . . . . . . . . 95.7 mt -68.06 -53.1 28.15 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.786 0.327 . . . . 1.54 110.905 -178.309 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 113' ' ' GLY . . . . . . . . . . . . . . . 170.2 61.12 0.04 OUTLIER Glycine 0 N--CA 1.449 -0.488 0 N-CA-C 111.49 -0.644 . . . . 1.9399999999999999 111.49 -178.717 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 114' ' ' ALA . . . . . . . . . . . . . . . -93.14 107.24 19.08 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.745 0.307 . . . . 1.6200000000000001 110.811 -178.383 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 115' ' ' LYS . . . . . . . . . . . . . 63.7 mttm -92.22 112.24 54.19 Favored Pre-proline 0 C--N 1.327 -0.371 0 N-CA-C 109.195 -0.669 . . . . 5.2699999999999996 109.195 175.7 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 116' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -79.05 8.58 3.73 Favored 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 123.135 2.557 . . . . 2.96 113.654 -175.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 117' ' ' ARG . . . . . . . . . . . . . 6.5 tpp180 -154.64 163.64 39.93 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.32 -0.622 . . . . 4.5 109.32 178.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 118' ' ' THR . . . . . . . . . . . . . 1.9 m -70.79 -29.88 66.2 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.171 0.51 . . . . 6.2999999999999998 110.435 176.281 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 119' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -108.53 137.61 46.19 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.572 -0.74 . . . . 6.9100000000000001 110.494 -178.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 120' ' ' VAL . . . . . . . . . . . . . 30.8 m -115.89 146.85 19.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.223 -0.444 . . . . 8.8900000000000006 111.147 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 121' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 . . . . . 0 C--O 1.254 1.311 0 CA-C-O 118.084 -0.96 . . . . 11.5 109.791 -179.466 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' S' S ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.725 0 N-CA-C 112.557 -0.217 . . . . 11.029999999999999 112.557 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' S' S ' 26' ' ' ALA . . . . . . . . . . . . . . . -143.58 153.81 42.94 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 110.455 -0.202 . . . . 9.4600000000000009 110.455 -179.234 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 27' ' ' MET . . . . . . . . . . . . . 1.3 mpt? 62.78 -174.95 0.15 Allowed 'General case' 0 N--CA 1.467 0.407 0 O-C-N 123.717 0.636 . . . . 9.9100000000000001 111.31 -178.182 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 28' ' ' GLY . . . . . . . . . . . . . . . 160.87 121.3 0.58 Allowed Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.655 -0.783 . . . . 5.7699999999999996 112.72 176.605 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 29' ' ' SER . . . . . . . . . . . . . 54.6 m -106.82 103.49 12.94 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.72 0.295 . . . . 4.4500000000000002 110.421 178.056 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 30' ' ' ARG . . . . . . . . . . . . . 77.2 mtt180 -81.13 113.22 19.15 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.227 -0.442 . . . . 7.0300000000000002 110.844 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 31' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -85.55 108.74 18.08 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.253 0.549 . . . . 3.3900000000000001 110.463 174.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 32' ' ' THR . . . . . . . . . . . . . 6.3 p -129.86 20.14 5.51 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.439 -0.801 . . . . 1.26 109.524 175.085 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 27.1 ttt -83.21 -47.29 11.72 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.505 -0.77 . . . . 1.3899999999999999 110.484 -175.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 34' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -103.43 11.42 36.52 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.06 -0.518 . . . . 0.96999999999999997 111.528 -176.39 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 35' ' ' THR . . . . . 0.447 ' O ' ' HA ' ' S' ' 82' ' ' THR . 8.2 p -122.23 -10.33 8.53 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.908 0.385 . . . . 0.55000000000000004 110.999 -177.093 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 36' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -100.05 117.65 34.77 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.015 -0.538 . . . . 1.95 110.818 -176.568 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 37' ' ' ILE . . . . . . . . . . . . . 65.8 mt -101.16 138.57 24.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.501 -0.772 . . . . 0.40999999999999998 110.768 -179.547 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 38' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -99.05 120.21 39.09 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.144 -0.687 . . . . 0.45000000000000001 109.144 175.58 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 39' ' ' VAL . . . . . 0.42 HG11 HD11 ' S' ' 51' ' ' LEU . 38.4 t -118.42 103.54 14.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.409 -0.36 . . . . 0.20000000000000001 110.472 -179.471 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 40' ' ' GLY . . . . . . . . . . . . . . . -108.89 152.3 17.02 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.442 -0.885 . . . . 0.27000000000000002 112.286 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 41' ' ' GLY . . . . . . . . . . . . . . . 104.18 33.39 4.0 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.785 -0.721 . . . . 0.48999999999999999 111.668 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 42' ' ' LEU . . . . . 0.576 ' O ' ' HA2' ' S' ' 77' ' ' GLY . 86.4 mt -106.32 131.94 21.31 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-O 120.687 0.279 . . . . 0.59999999999999998 111.001 -177.567 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 43' ' ' PRO . . . . . 0.497 ' HB2' ' CD2' ' S' ' 45' ' ' HIS . 19.5 Cg_exo -67.51 173.63 8.55 Favored 'Trans proline' 0 CA--C 1.532 0.405 0 C-N-CA 122.681 2.254 . . . . 0.55000000000000004 112.209 175.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 44' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -72.09 -23.77 61.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.173 -0.467 . . . . 2.4100000000000001 111.26 -173.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 45' ' ' HIS . . . . . 0.497 ' CD2' ' HB2' ' S' ' 43' ' ' PRO . 22.5 p80 -84.15 -3.24 58.0 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.16 -0.473 . . . . 2.3100000000000001 111.136 -177.655 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 46' ' ' THR . . . . . 0.451 ' OG1' ' HD2' ' S' ' 43' ' ' PRO . 65.1 m -89.47 109.8 20.69 Favored 'General case' 0 N--CA 1.443 -0.777 0 N-CA-C 109.442 -0.577 . . . . 0.53000000000000003 109.442 -178.798 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 47' ' ' SER . . . . . 0.549 ' HB2' ' HG2' ' S' ' 49' ' ' LYS . 8.8 m -99.33 175.53 5.84 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 115.883 -0.599 . . . . 0.68000000000000005 110.258 -175.805 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 48' ' ' ASP . . . . . 0.698 ' HB3' ' HA ' ' S' ' 65' ' ' VAL . 0.7 OUTLIER -53.13 -46.2 68.69 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.71 -0.677 . . . . 1.29 111.012 176.281 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' S' S ' 49' ' ' LYS . . . . . 0.549 ' HG2' ' HB2' ' S' ' 47' ' ' SER . 53.0 pttt -56.77 -35.25 68.46 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.165 -0.47 . . . . 2.5 111.847 176.575 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 50' ' ' THR . . . . . . . . . . . . . 14.6 m -71.69 -47.99 50.41 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.053 0.454 . . . . 0.42999999999999999 110.1 -178.353 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 51' ' ' LEU . . . . . 0.42 HD11 HG11 ' S' ' 39' ' ' VAL . 20.1 tp -64.53 -36.7 85.07 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.065 -0.516 . . . . 0.46000000000000002 109.908 177.533 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 52' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -61.98 -50.24 72.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.389 -0.823 . . . . 0.55000000000000004 110.9 178.328 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 53' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -54.74 -47.81 73.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.83 0.348 . . . . 2.2400000000000002 111.467 -179.183 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 54' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -63.57 -43.48 96.87 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.339 -0.391 . . . . 0.55000000000000004 111.644 -176.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 55' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -84.96 -21.34 29.6 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.29 0.478 . . . . 0.5 112.29 -175.034 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 56' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -65.12 -15.32 62.27 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.419 0.628 . . . . 1.47 110.427 179.651 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 57' ' ' GLN . . . . . . . . . . . . . 42.0 tp60 -61.56 -36.5 80.8 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.742 -0.663 . . . . 2.98 110.667 172.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 58' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -91.26 -4.39 56.0 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.045 0.387 . . . . 0.65000000000000002 112.045 -171.474 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 59' ' ' GLY . . . . . . . . . . . . . . . 150.15 -175.67 29.13 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.407 -0.901 . . . . 0.44 112.759 177.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 60' ' ' ASP . . . . . 0.628 ' HB2' ' HG2' ' S' ' 84' ' ' LYS . 9.4 m-20 -69.36 140.28 54.25 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 110.082 -0.34 . . . . 1.99 110.082 179.593 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 61' ' ' ILE . . . . . 0.607 HG21 ' HB2' ' S' ' 64' ' ' ALA . 65.8 mt -115.06 132.52 64.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 116.2 -0.455 . . . . 0.42999999999999999 110.29 178.647 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 62' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -87.78 -48.23 8.0 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.105 -0.498 . . . . 1.9099999999999999 110.639 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 63' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -142.11 116.41 9.53 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.268 -0.424 . . . . 1.8100000000000001 110.207 -176.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 64' ' ' ALA . . . . . 0.607 ' HB2' HG21 ' S' ' 61' ' ' ILE . . . -135.08 110.63 9.16 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 110.212 -0.292 . . . . 0.38 110.212 -179.633 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 65' ' ' VAL . . . . . 0.698 ' HA ' ' HB3' ' S' ' 48' ' ' ASP . 21.0 m -142.51 138.03 28.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.338 -0.392 . . . . 0.35999999999999999 111.076 -178.609 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 66' ' ' VAL . . . . . . . . . . . . . 96.4 t -90.31 119.47 37.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 108.088 -1.078 . . . . 0.29999999999999999 108.088 169.216 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 67' ' ' ILE . . . . . . . . . . . . . 48.8 mm -68.56 125.5 26.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.097 0.475 . . . . 0.46999999999999997 111.949 -168.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 68' ' ' THR . . . . . . . . . . . . . 1.9 p -99.95 146.77 26.31 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 115.734 -0.667 . . . . 0.78000000000000003 109.769 174.509 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 69' ' ' ASP . . . . . 0.464 ' O ' ' HA ' ' S' ' 73' ' ' GLN . 24.1 t70 -66.03 142.13 57.92 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.377 -0.374 . . . . 1.75 110.815 -179.605 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 70' ' ' ARG . . . . . . . . . . . . . 83.5 mtt180 -70.19 -25.4 63.41 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.545 -0.298 . . . . 4.0199999999999996 111.399 -176.438 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 71' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -93.62 -56.46 2.9 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.029 0.442 . . . . 2.6400000000000001 111.135 -174.103 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 72' ' ' THR . . . . . 0.441 ' HB ' ' HG2' ' S' ' 74' ' ' LYS . 42.7 p -91.83 -18.79 23.31 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.98 -0.554 . . . . 1.8400000000000001 111.658 -175.573 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 73' ' ' GLN . . . . . 0.464 ' HA ' ' O ' ' S' ' 69' ' ' ASP . 67.2 mm-40 63.64 23.58 13.6 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 115.968 -0.56 . . . . 2.3500000000000001 111.805 -177.77 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 74' ' ' LYS . . . . . 0.441 ' HG2' ' HB ' ' S' ' 72' ' ' THR . 29.4 mmtp -92.21 160.55 15.11 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.806 -0.813 . . . . 2.77 108.806 175.056 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 75' ' ' SER . . . . . . . . . . . . . 35.9 t -67.33 144.05 56.06 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.847 0.356 . . . . 1.51 110.426 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 76' ' ' ARG . . . . . . . . . . . . . 88.8 mtt180 -96.7 5.78 49.99 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.954 0.406 . . . . 2.54 111.385 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 77' ' ' GLY . . . . . 0.576 ' HA2' ' O ' ' S' ' 42' ' ' LEU . . . 84.21 18.75 62.07 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.733 -0.746 . . . . 0.53000000000000003 113.985 173.196 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 78' ' ' TYR . . . . . . . . . . . . . 43.1 p90 -159.29 161.25 35.86 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.937 0.399 . . . . 0.59999999999999998 110.524 178.205 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 79' ' ' GLY . . . . . . . . . . . . . . . -142.72 165.07 26.94 Favored Glycine 0 N--CA 1.444 -0.795 0 CA-C-N 115.957 -0.565 . . . . 0.17000000000000001 111.741 178.391 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 80' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -116.28 136.72 52.75 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 110.246 -0.279 . . . . 0.39000000000000001 110.246 179.584 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 81' ' ' VAL . . . . . . . . . . . . . 41.6 t -125.63 112.22 30.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.048 -0.524 . . . . 0.23999999999999999 110.475 179.315 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 82' ' ' THR . . . . . 0.447 ' HA ' ' O ' ' S' ' 35' ' ' THR . 11.9 m -99.66 113.36 25.76 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.142 -0.688 . . . . 0.29999999999999999 109.142 176.413 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 83' ' ' MET . . . . . 0.607 ' HG3' ' HA ' ' S' ' 89' ' ' ALA . 94.2 mmm -85.09 165.28 17.61 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.503 -0.317 . . . . 0.71999999999999997 110.949 -175.553 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 84' ' ' LYS . . . . . 0.628 ' HG2' ' HB2' ' S' ' 60' ' ' ASP . 0.0 OUTLIER -65.9 -22.43 66.51 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.931 -0.577 . . . . 2.21 111.653 -177.922 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' S' S ' 85' ' ' ASP . . . . . 0.415 ' HB3' ' HD3' ' S' ' 84' ' ' LYS . 0.3 OUTLIER -164.06 -178.44 5.6 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 110.241 -0.281 . . . . 1.8500000000000001 110.241 178.954 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' S' S ' 86' ' ' ARG . . . . . . . . . . . . . 51.8 mtp180 -67.31 -41.66 84.99 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.142 -0.481 . . . . 3.96 112.138 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.2 -41.82 98.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.868 0.366 . . . . 0.62 110.645 -175.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 88' ' ' SER . . . . . . . . . . . . . 18.3 m -63.96 -39.89 95.16 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.952 -0.567 . . . . 0.88 110.589 176.536 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 89' ' ' ALA . . . . . 0.607 ' HA ' ' HG3' ' S' ' 83' ' ' MET . . . -67.6 -47.79 68.67 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.277 -0.419 . . . . 0.34999999999999998 111.311 -179.699 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 90' ' ' GLU . . . . . 0.61 ' HA ' ' SG ' ' S' ' 93' ' ' CYS . 62.9 mt-10 -63.15 -39.79 95.7 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.225 -0.443 . . . . 1.8500000000000001 110.529 179.313 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 91' ' ' ARG . . . . . 0.406 ' HA ' ' HG3' ' S' ' 94' ' ' LYS . 34.1 ttm180 -58.11 -38.36 76.31 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.151 -0.477 . . . . 2.9199999999999999 110.717 178.809 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 92' ' ' ALA . . . . . . . . . . . . . . . -72.54 -40.53 66.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.965 -0.561 . . . . 0.46999999999999997 111.536 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 93' ' ' CYS . . . . . 0.61 ' SG ' ' HA ' ' S' ' 90' ' ' GLU . 18.4 p -91.1 14.2 14.76 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.958 0.355 . . . . 1.3500000000000001 111.958 -176.532 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 94' ' ' LYS . . . . . 0.406 ' HG3' ' HA ' ' S' ' 91' ' ' ARG . 76.1 mttt -61.25 -15.49 35.35 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.724 0.297 . . . . 2.9500000000000002 111.593 170.724 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 95' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -124.7 115.94 26.57 Favored Pre-proline 0 C--N 1.327 -0.388 0 N-CA-C 109.353 -0.61 . . . . 2.1299999999999999 109.353 176.645 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 96' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -69.95 -24.89 28.29 Favored 'Trans proline' 0 CA--C 1.531 0.347 0 C-N-CA 122.579 2.186 . . . . 0.76000000000000001 113.392 -174.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 97' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -129.21 83.19 66.42 Favored Pre-proline 0 C--O 1.234 0.253 0 N-CA-C 111.435 0.161 . . . . 1.0800000000000001 111.435 -176.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 98' ' ' PRO . . . . . 0.482 ' HG2' ' HB3' ' S' ' 105' ' ' ALA . 74.2 Cg_endo -77.61 139.56 18.14 Favored 'Trans proline' 0 N--CA 1.457 -0.662 0 C-N-CA 122.256 1.971 . . . . 0.53000000000000003 111.653 174.791 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 99' ' ' ILE . . . . . . . . . . . . . 50.9 mm -92.52 97.63 7.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 120.888 0.375 . . . . 0.51000000000000001 110.405 -179.259 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 100' ' ' ILE . . . . . . . . . . . . . 58.4 mt -111.5 122.95 66.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 109.256 -0.646 . . . . 0.56999999999999995 109.256 -179.594 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 101' ' ' ASP . . . . . . . . . . . . . 32.8 t70 64.41 14.58 8.93 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-O 121.937 0.875 . . . . 1.3999999999999999 110.43 -175.297 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 102' ' ' GLY . . . . . . . . . . . . . . . 85.25 1.62 88.2 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.404 -0.903 . . . . 0.81999999999999995 111.873 -176.291 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 103' ' ' ARG . . . . . . . . . . . . . 29.4 mmt180 -88.92 151.7 22.16 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-O 120.879 0.371 . . . . 3.1099999999999999 110.026 178.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 104' ' ' LYS . . . . . 0.443 ' HB2' ' HE3' ' S' ' 104' ' ' LYS . 30.4 ttmt -92.98 94.55 8.96 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.178 -0.675 . . . . 1.98 109.178 178.849 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 105' ' ' ALA . . . . . 0.482 ' HB3' ' HG2' ' S' ' 98' ' ' PRO . . . -85.78 161.73 19.02 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.74 -0.663 . . . . 0.33000000000000002 111.467 -173.578 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 106' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -119.26 114.17 21.99 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.598 -0.728 . . . . 1.99 109.359 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 107' ' ' VAL . . . . . . . . . . . . . 54.4 t -116.13 127.66 73.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.842 -0.617 . . . . 0.33000000000000002 111.019 -177.125 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 108' ' ' ASN . . . . . . . . . . . . . 30.1 p-10 -156.32 165.51 36.15 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.756 -0.656 . . . . 1.76 109.804 177.326 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 109' ' ' LEU . . . . . . . . . . . . . 95.3 mt -71.7 131.22 42.84 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.56 -0.533 . . . . 0.56999999999999995 109.56 175.462 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.95 -15.67 63.19 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 113.555 0.946 . . . . 0.66000000000000003 113.555 -167.594 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 111' ' ' TYR . . . . . . . . . . . . . 29.4 p90 -73.55 -11.2 60.36 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.636 -0.426 . . . . 1.25 110.503 -179.323 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 112' ' ' LEU . . . . . . . . . . . . . 89.7 mt -76.29 -18.23 59.07 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.102 -0.499 . . . . 1.54 110.361 177.567 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 113' ' ' GLY . . . . . . . . . . . . . . . 122.11 110.52 2.09 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.665 -0.779 . . . . 1.9399999999999999 112.351 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 114' ' ' ALA . . . . . . . . . . . . . . . -77.98 117.77 19.63 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.535 0.207 . . . . 1.6200000000000001 110.723 178.709 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 115' ' ' LYS . . . . . . . . . . . . . 30.3 mmtp -108.49 97.83 24.99 Favored Pre-proline 0 C--N 1.326 -0.45 0 N-CA-C 109.743 -0.465 . . . . 5.2699999999999996 109.743 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 116' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -84.84 128.69 3.88 Favored 'Trans proline' 0 N--CA 1.461 -0.408 0 C-N-CA 122.932 2.421 . . . . 2.96 114.316 -175.082 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 117' ' ' ARG . . . . . . . . . . . . . 88.3 mtm180 70.35 178.06 0.26 Allowed 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 115.056 -0.975 . . . . 4.5 112.762 171.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 118' ' ' THR . . . . . . . . . . . . . 1.4 p -82.81 140.76 32.77 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.433 -0.803 . . . . 6.2999999999999998 111.621 -178.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 119' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -146.95 -38.15 0.21 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.926 -0.579 . . . . 6.9100000000000001 109.687 178.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 120' ' ' VAL . . . . . . . . . . . . . 61.4 t -122.08 140.78 44.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.517 -0.765 . . . . 8.8900000000000006 109.357 175.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 121' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 . . . . . 0 C--O 1.248 0.99 0 CA-C-O 118.66 -0.686 . . . . 11.5 110.385 -179.774 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' S' S ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.858 0 N-CA-C 112.538 -0.225 . . . . 11.029999999999999 112.538 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' S' S ' 26' ' ' ALA . . . . . . . . . . . . . . . -143.13 164.24 30.68 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.853 -0.425 . . . . 9.4600000000000009 109.853 178.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 27' ' ' MET . . . . . . . . . . . . . 23.7 ptm -128.83 -173.6 3.02 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.656 -0.247 . . . . 9.9100000000000001 110.44 -178.484 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 28' ' ' GLY . . . . . . . . . . . . . . . 124.63 -125.59 5.78 Favored Glycine 0 N--CA 1.447 -0.567 0 N-CA-C 111.205 -0.758 . . . . 5.7699999999999996 111.205 -176.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 29' ' ' SER . . . . . . . . . . . . . 23.6 m 57.73 31.02 19.83 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 121.318 0.58 . . . . 4.4500000000000002 111.267 178.097 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 30' ' ' ARG . . . . . . . . . . . . . 28.0 ttm180 -93.47 138.5 31.71 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.899 -0.592 . . . . 7.0300000000000002 111.739 -176.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 31' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -68.41 95.74 0.63 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.103 -0.499 . . . . 3.3900000000000001 109.86 169.442 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 32' ' ' THR . . . . . . . . . . . . . 1.8 p -70.87 -9.67 58.12 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.481 0.658 . . . . 1.26 110.278 176.6 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 23.5 ttt -55.08 -32.1 61.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 114.945 -1.025 . . . . 1.3899999999999999 111.34 177.46 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 34' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -105.54 7.59 32.98 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.982 0.364 . . . . 0.96999999999999997 111.982 -174.323 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 35' ' ' THR . . . . . 0.573 ' O ' ' HA ' ' S' ' 82' ' ' THR . 7.7 p -125.22 -4.98 7.31 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.951 0.405 . . . . 0.55000000000000004 110.911 178.101 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 36' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -87.0 99.36 11.84 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.819 -0.628 . . . . 1.95 110.149 -179.521 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 37' ' ' ILE . . . . . . . . . . . . . 62.7 mt -89.98 135.01 27.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.623 -0.717 . . . . 0.40999999999999998 110.595 -179.681 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 38' ' ' PHE . . . . . 0.442 ' HD1' ' CE1' ' S' ' 80' ' ' PHE . 72.8 t80 -102.73 106.32 16.92 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.593 -0.73 . . . . 0.45000000000000001 109.202 176.323 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 39' ' ' VAL . . . . . . . . . . . . . 21.5 t -101.48 102.49 13.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 110.036 -0.357 . . . . 0.20000000000000001 110.036 -179.555 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 40' ' ' GLY . . . . . 0.413 ' HA2' ' CB ' ' S' ' 78' ' ' TYR . . . -102.2 155.8 18.57 Favored Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.579 -0.82 . . . . 0.27000000000000002 112.461 -176.793 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 41' ' ' GLY . . . . . . . . . . . . . . . 99.43 21.22 15.34 Favored Glycine 0 N--CA 1.453 -0.193 0 C-N-CA 120.763 -0.732 . . . . 0.48999999999999999 112.154 178.569 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 42' ' ' LEU . . . . . 0.413 ' HA ' ' HD3' ' S' ' 43' ' ' PRO . 90.1 mt -91.82 134.72 28.5 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-O 120.866 0.365 . . . . 0.59999999999999998 111.144 -176.521 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 43' ' ' PRO . . . . . 0.571 ' HG3' ' HG3' ' S' ' 103' ' ' ARG . 35.5 Cg_exo -62.04 163.29 19.97 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.873 2.382 . . . . 0.55000000000000004 112.246 175.166 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 44' ' ' TYR . . . . . 0.418 ' HA ' ' HB3' ' S' ' 75' ' ' SER . 16.2 m-85 -69.95 -26.25 64.03 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.634 -0.712 . . . . 2.4100000000000001 111.556 -172.628 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 45' ' ' HIS . . . . . . . . . . . . . 4.5 p80 -89.56 0.0 57.21 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.052 0.454 . . . . 2.3100000000000001 110.667 -178.332 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 46' ' ' THR . . . . . 0.434 ' OG1' ' HD2' ' S' ' 43' ' ' PRO . 97.1 m -79.51 116.79 19.93 Favored 'General case' 0 N--CA 1.446 -0.633 0 N-CA-C 109.197 -0.668 . . . . 0.53000000000000003 109.197 176.37 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 47' ' ' SER . . . . . . . . . . . . . 43.5 m -108.76 -177.48 3.32 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 116.167 -0.47 . . . . 0.68000000000000005 111.168 -174.4 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 48' ' ' ASP . . . . . . . . . . . . . 21.3 p-10 -53.8 -52.12 61.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.744 -0.662 . . . . 1.29 110.401 177.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 49' ' ' LYS . . . . . . . . . . . . . 6.1 ptpp? -53.42 -41.09 65.69 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.17 -0.923 . . . . 2.5 111.737 178.009 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 50' ' ' THR . . . . . . . . . . . . . 2.9 m -63.47 -47.68 80.8 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-O 120.92 0.39 . . . . 0.42999999999999999 110.495 -177.599 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 51' ' ' LEU . . . . . . . . . . . . . 15.8 tp -74.73 -35.87 62.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.018 -0.537 . . . . 0.46000000000000002 110.923 -178.214 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 52' ' ' HIS . . . . . . . . . . . . . 52.8 t-80 -61.45 -49.73 75.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.398 -0.365 . . . . 0.55000000000000004 110.298 177.62 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 53' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -57.95 -40.74 81.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.962 -0.563 . . . . 2.2400000000000002 110.07 179.49 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 54' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -66.45 -42.49 87.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.82 -0.627 . . . . 0.55000000000000004 111.096 -178.281 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 55' ' ' PHE . . . . . 0.417 ' CD1' HG11 ' S' ' 81' ' ' VAL . 6.2 m-85 -85.05 -20.31 30.61 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 112.655 0.613 . . . . 0.5 112.655 -174.723 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 56' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -61.87 -18.71 61.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.118 0.485 . . . . 1.47 110.283 176.072 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 57' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -71.18 -12.94 61.75 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.004 -0.544 . . . . 2.98 110.101 178.638 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 58' ' ' PHE . . . . . 0.448 ' O ' ' HD3' ' S' ' 91' ' ' ARG . 66.5 m-85 -106.68 1.95 25.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.956 -0.566 . . . . 0.65000000000000002 111.003 -179.191 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 59' ' ' GLY . . . . . . . . . . . . . . . 134.38 -159.33 23.79 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.32 -0.943 . . . . 0.44 113.03 177.371 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 60' ' ' ASP . . . . . 0.698 ' HB3' ' HD2' ' S' ' 84' ' ' LYS . 24.4 t70 -92.98 141.16 28.7 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.925 0.393 . . . . 1.99 110.733 -175.635 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 61' ' ' ILE . . . . . 0.418 HG12 ' SD ' ' S' ' 83' ' ' MET . 22.2 mt -121.54 148.89 24.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.938 -0.573 . . . . 0.42999999999999999 110.788 -169.813 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 62' ' ' GLU . . . . . 0.527 ' HG3' ' HA ' ' S' ' 84' ' ' LYS . 31.8 mt-10 -81.28 -47.13 13.75 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 109.964 -0.384 . . . . 1.9099999999999999 109.964 174.134 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 63' ' ' GLU . . . . . . . . . . . . . 77.1 tt0 -169.07 138.85 2.19 Favored 'General case' 0 C--N 1.334 -0.088 0 CA-C-N 116.419 -0.355 . . . . 1.8100000000000001 110.449 175.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 64' ' ' ALA . . . . . 0.452 ' HB2' HG13 ' S' ' 81' ' ' VAL . . . -137.14 115.11 11.48 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 110.016 -0.364 . . . . 0.38 110.016 178.671 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 65' ' ' VAL . . . . . . . . . . . . . 27.8 m -138.9 138.71 41.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.084 0.469 . . . . 0.35999999999999999 111.986 -176.173 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 66' ' ' VAL . . . . . . . . . . . . . 91.0 t -88.47 120.99 38.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 108.639 -0.874 . . . . 0.29999999999999999 108.639 169.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 67' ' ' ILE . . . . . 0.459 ' HB ' ' HG3' ' S' ' 76' ' ' ARG . 50.6 mm -69.59 122.25 20.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.251 -0.431 . . . . 0.46999999999999997 111.565 -172.019 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 68' ' ' THR . . . . . . . . . . . . . 20.0 p -111.13 145.73 38.08 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.602 -0.727 . . . . 0.78000000000000003 110.325 176.147 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 69' ' ' ASP . . . . . 0.628 ' O ' ' HA ' ' S' ' 73' ' ' GLN . 56.8 m-20 -76.01 149.26 37.6 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.26 -0.427 . . . . 1.75 111.08 179.427 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 70' ' ' ARG . . . . . . . . . . . . . 91.2 mtt180 -80.51 -39.32 28.11 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.131 0.491 . . . . 4.0199999999999996 110.539 178.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 71' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -82.78 -56.71 3.67 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.549 -0.75 . . . . 2.6400000000000001 111.223 -176.091 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 72' ' ' THR . . . . . . . . . . . . . 1.5 p -89.09 -7.84 55.01 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.928 -0.578 . . . . 1.8400000000000001 112.138 -176.028 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 73' ' ' GLN . . . . . 0.628 ' HA ' ' O ' ' S' ' 69' ' ' ASP . 18.8 pt20 45.39 33.59 1.31 Allowed 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.068 0.947 . . . . 2.3500000000000001 112.235 -178.49 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 74' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -94.75 165.34 12.54 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.117 -0.492 . . . . 2.77 110.079 178.589 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 75' ' ' SER . . . . . 0.418 ' HB3' ' HA ' ' S' ' 44' ' ' TYR . 44.8 t -90.4 146.54 24.08 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.601 -0.518 . . . . 1.51 109.601 174.664 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 76' ' ' ARG . . . . . 0.459 ' HG3' ' HB ' ' S' ' 67' ' ' ILE . 5.3 mmp_? -76.21 -9.65 58.8 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.346 -0.388 . . . . 2.54 110.842 179.356 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 77' ' ' GLY . . . . . . . . . . . . . . . 80.55 20.47 66.25 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.642 -0.79 . . . . 0.53000000000000003 111.63 -177.64 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 78' ' ' TYR . . . . . 0.419 ' CE1' ' HB3' ' S' ' 76' ' ' ARG . 11.9 p90 -165.31 163.62 19.95 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.396 -0.594 . . . . 0.59999999999999998 109.396 178.122 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 79' ' ' GLY . . . . . . . . . . . . . . . -138.29 163.96 25.66 Favored Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 111.204 -0.759 . . . . 0.17000000000000001 111.204 177.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 80' ' ' PHE . . . . . 0.442 ' CE1' ' HD1' ' S' ' 38' ' ' PHE . 90.1 m-85 -113.2 134.82 54.39 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.858 -0.423 . . . . 0.39000000000000001 109.858 178.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 81' ' ' VAL . . . . . 0.452 HG13 ' HB2' ' S' ' 64' ' ' ALA . 50.6 t -124.55 115.8 45.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 115.904 -0.589 . . . . 0.23999999999999999 109.884 178.221 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 82' ' ' THR . . . . . 0.573 ' HA ' ' O ' ' S' ' 35' ' ' THR . 11.7 m -99.89 102.35 13.72 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 108.895 -0.78 . . . . 0.29999999999999999 108.895 176.61 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 83' ' ' MET . . . . . 0.638 ' HG3' ' HA ' ' S' ' 89' ' ' ALA . 98.7 mmm -75.63 159.03 31.62 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.19 -0.459 . . . . 0.71999999999999997 109.967 -179.436 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 84' ' ' LYS . . . . . 0.698 ' HD2' ' HB3' ' S' ' 60' ' ' ASP . 14.8 ptmt -59.19 -32.25 69.75 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.437 0.532 . . . . 2.21 112.437 -173.731 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 85' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -167.73 -173.04 2.03 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 109.729 -0.471 . . . . 1.8500000000000001 109.729 178.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 86' ' ' ARG . . . . . . . . . . . . . 51.0 mmt-85 -63.1 -46.71 86.09 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.76 0.314 . . . . 3.96 110.975 -172.234 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.99 77.29 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.947 -0.57 . . . . 0.62 112.033 -175.216 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 88' ' ' SER . . . . . . . . . . . . . 13.9 m -67.22 -39.7 86.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.949 0.404 . . . . 0.88 110.535 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 89' ' ' ALA . . . . . 0.638 ' HA ' ' HG3' ' S' ' 83' ' ' MET . . . -58.94 -46.01 89.05 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.816 -0.629 . . . . 0.34999999999999998 110.917 177.406 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 90' ' ' GLU . . . . . 0.603 ' HB3' ' HE2' ' S' ' 94' ' ' LYS . 29.7 mt-10 -55.14 -49.01 72.87 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-N 116.539 -0.301 . . . . 1.8500000000000001 111.192 177.524 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 91' ' ' ARG . . . . . 0.448 ' HD3' ' O ' ' S' ' 58' ' ' PHE . 78.1 ttt180 -56.7 -34.85 67.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.304 -0.407 . . . . 2.9199999999999999 111.09 -177.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 92' ' ' ALA . . . . . . . . . . . . . . . -80.05 -20.5 45.1 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.963 -0.562 . . . . 0.46999999999999997 111.411 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 93' ' ' CYS . . . . . . . . . . . . . 64.4 m -103.9 2.22 32.27 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.058 0.392 . . . . 1.3500000000000001 112.058 -176.451 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 94' ' ' LYS . . . . . 0.603 ' HE2' ' HB3' ' S' ' 90' ' ' GLU . 73.3 mmtt -62.98 -33.49 75.51 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.657 0.265 . . . . 2.9500000000000002 111.068 179.149 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 95' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -99.83 109.33 55.42 Favored Pre-proline 0 C--N 1.328 -0.353 0 N-CA-C 109.738 -0.467 . . . . 2.1299999999999999 109.738 173.725 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 96' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -69.62 -39.86 6.26 Favored 'Trans proline' 0 C--O 1.234 0.292 0 C-N-CA 122.672 2.248 . . . . 0.76000000000000001 113.261 -174.544 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 97' ' ' ASN . . . . . 0.451 ' HA ' ' O ' ' S' ' 105' ' ' ALA . 93.9 m-20 -124.97 80.28 63.98 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 120.761 0.315 . . . . 1.0800000000000001 111.029 -178.575 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 98' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -83.86 152.18 12.92 Favored 'Trans proline' 0 N--CA 1.454 -0.823 0 C-N-CA 122.836 2.358 . . . . 0.53000000000000003 112.043 177.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 99' ' ' ILE . . . . . . . . . . . . . 49.1 mm -87.85 109.68 19.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 109.794 -0.447 . . . . 0.51000000000000001 109.794 177.757 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 100' ' ' ILE . . . . . . . . . . . . . 51.3 mt -116.88 120.27 64.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 109.642 -0.503 . . . . 0.56999999999999995 109.642 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 101' ' ' ASP . . . . . 0.401 ' OD2' ' HG2' ' S' ' 43' ' ' PRO . 27.3 t70 64.93 15.68 10.07 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 121.967 0.889 . . . . 1.3999999999999999 110.672 178.34 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 102' ' ' GLY . . . . . . . . . . . . . . . 93.98 4.18 63.39 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.75 -0.738 . . . . 0.81999999999999995 112.683 -179.281 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 103' ' ' ARG . . . . . 0.571 ' HG3' ' HG3' ' S' ' 43' ' ' PRO . 2.9 mmp_? -111.59 151.95 28.16 Favored 'General case' 0 N--CA 1.448 -0.535 0 O-C-N 122.509 -0.406 . . . . 3.1099999999999999 110.822 179.184 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 104' ' ' LYS . . . . . . . . . . . . . 13.7 ttmm -85.0 99.08 10.77 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.624 -0.51 . . . . 1.98 109.624 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 105' ' ' ALA . . . . . 0.451 ' O ' ' HA ' ' S' ' 97' ' ' ASN . . . -86.43 162.81 17.94 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.189 0.518 . . . . 0.33000000000000002 111.3 -174.715 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 106' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -119.13 113.13 20.43 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.706 -0.679 . . . . 1.99 109.488 178.589 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 107' ' ' VAL . . . . . . . . . . . . . 61.9 t -105.78 126.76 61.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 109.666 -0.494 . . . . 0.33000000000000002 109.666 179.159 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 108' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -165.1 158.9 17.18 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.231 -0.441 . . . . 1.76 110.033 -178.785 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 109' ' ' LEU . . . . . 0.518 HD13 ' HE2' ' S' ' 111' ' ' TYR . 97.0 mt -76.43 134.53 39.56 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.66 0.267 . . . . 0.56999999999999995 110.407 -179.717 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 110' ' ' ALA . . . . . . . . . . . . . . . -57.25 -36.71 71.29 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 113.244 0.831 . . . . 0.66000000000000003 113.244 -171.613 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 111' ' ' TYR . . . . . 0.518 ' HE2' HD13 ' S' ' 109' ' ' LEU . 26.9 p90 -71.85 -7.55 49.03 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.833 0.349 . . . . 1.25 111.557 -175.648 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 112' ' ' LEU . . . . . . . . . . . . . 86.0 mt -90.72 -3.64 57.32 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.72 -0.218 . . . . 1.54 111.191 179.528 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 113' ' ' GLY . . . . . . . . . . . . . . . 137.75 65.32 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.465 -0.874 . . . . 1.9399999999999999 113.155 176.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 114' ' ' ALA . . . . . . . . . . . . . . . -82.21 98.82 8.93 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.177 0.513 . . . . 1.6200000000000001 110.648 176.387 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 115' ' ' LYS . . . . . . . . . . . . . 38.9 mmtm -118.12 118.15 34.56 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 115.979 -0.555 . . . . 5.2699999999999996 110.633 179.195 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 116' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -85.04 -170.71 0.81 Allowed 'Trans proline' 0 N--CA 1.461 -0.434 0 C-N-CA 123.148 2.565 . . . . 2.96 113.358 -177.463 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.43 137.16 37.15 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.649 -0.705 . . . . 4.5 110.235 177.672 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 118' ' ' THR . . . . . . . . . . . . . 11.6 t -94.24 167.46 11.53 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.379 -0.373 . . . . 6.2999999999999998 110.61 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 119' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -151.59 114.46 4.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.234 0.54 . . . . 6.9100000000000001 110.097 -179.585 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 120' ' ' VAL . . . . . . . . . . . . . 24.8 m -141.41 169.36 14.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.946 -0.57 . . . . 8.8900000000000006 111.124 -178.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 121' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 . . . . . 0 C--O 1.25 1.083 0 O-C-N 123.973 0.796 . . . . 11.5 111.084 179.717 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' S' S ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.746 0 N-CA-C 112.223 -0.351 . . . . 11.029999999999999 112.223 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' S' S ' 26' ' ' ALA . . . . . . . . . . . . . . . -141.68 114.74 8.68 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.967 -0.383 . . . . 9.4600000000000009 109.967 176.174 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 27' ' ' MET . . . . . . . . . . . . . 23.7 ptp -150.14 166.21 30.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.071 0.462 . . . . 9.9100000000000001 111.732 -174.644 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 28' ' ' GLY . . . . . . . . . . . . . . . -171.09 153.8 21.33 Favored Glycine 0 N--CA 1.448 -0.554 0 N-CA-C 110.933 -0.867 . . . . 5.7699999999999996 110.933 178.683 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 29' ' ' SER . . . . . . . . . . . . . 14.2 m -80.35 66.6 5.91 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.018 0.437 . . . . 4.4500000000000002 111.265 -177.182 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 30' ' ' ARG . . . . . . . . . . . . . 26.2 mmt180 -126.84 83.55 2.18 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.548 -0.538 . . . . 7.0300000000000002 109.548 175.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 31' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -86.37 39.45 0.83 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.96 -0.564 . . . . 3.3900000000000001 111.223 -177.318 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 32' ' ' THR . . . . . . . . . . . . . 8.4 p -62.08 -19.52 63.03 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.011 -0.54 . . . . 1.26 111.22 -179.379 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 33' ' ' MET . . . . . 0.467 ' HB2' ' HB2' ' S' ' 111' ' ' TYR . 20.4 ptt? -63.84 -17.67 63.37 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.135 -0.484 . . . . 1.3899999999999999 111.623 179.579 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 34' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -103.42 -2.38 27.02 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.016 0.376 . . . . 0.96999999999999997 112.016 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 35' ' ' THR . . . . . . . . . . . . . 11.8 p -127.13 -7.51 5.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.956 0.408 . . . . 0.55000000000000004 111.389 -177.619 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 36' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -89.22 98.55 11.83 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.962 -0.563 . . . . 1.95 110.169 179.428 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 37' ' ' ILE . . . . . . . . . . . . . 65.5 mt -90.22 131.67 36.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.603 -0.726 . . . . 0.40999999999999998 110.898 -177.632 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 38' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -99.57 117.92 35.0 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.643 -0.708 . . . . 0.45000000000000001 109.714 178.26 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 39' ' ' VAL . . . . . 0.451 HG21 HD11 ' S' ' 51' ' ' LEU . 19.5 t -110.1 98.67 7.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 116.199 -0.455 . . . . 0.20000000000000001 109.781 179.098 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 40' ' ' GLY . . . . . . . . . . . . . . . -100.39 152.89 19.27 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.601 -0.809 . . . . 0.27000000000000002 111.835 -179.068 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 41' ' ' GLY . . . . . . . . . . . . . . . 98.25 15.32 35.93 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.553 -0.832 . . . . 0.48999999999999999 111.91 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 42' ' ' LEU . . . . . 0.576 HD11 HD13 ' S' ' 51' ' ' LEU . 65.6 mt -77.73 133.65 66.17 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-O 120.514 0.197 . . . . 0.59999999999999998 110.599 -179.607 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 43' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' S' ' 42' ' ' LEU . 52.2 Cg_exo -53.99 155.77 14.18 Favored 'Trans proline' 0 N--CA 1.462 -0.36 0 C-N-CA 122.834 2.356 . . . . 0.55000000000000004 112.546 177.019 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 44' ' ' TYR . . . . . 0.866 ' HA ' ' HB3' ' S' ' 75' ' ' SER . 13.4 m-85 -79.43 2.06 23.19 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.636 -0.711 . . . . 2.4100000000000001 111.436 -171.678 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 45' ' ' HIS . . . . . . . . . . . . . 4.3 p80 -117.49 4.88 12.44 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.109 0.481 . . . . 2.3100000000000001 109.908 178.016 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 46' ' ' THR . . . . . 0.424 HG23 ' HB ' ' S' ' 50' ' ' THR . 91.0 m -77.82 126.43 30.85 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.953 -0.567 . . . . 0.53000000000000003 110.882 -178.41 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 47' ' ' SER . . . . . 0.525 ' HB2' ' HG2' ' S' ' 49' ' ' LYS . 5.1 m -97.57 168.18 10.52 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.104 -0.498 . . . . 0.68000000000000005 110.436 -178.847 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 48' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -55.62 -39.63 71.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.067 -0.515 . . . . 1.29 110.873 178.463 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 49' ' ' LYS . . . . . 0.525 ' HG2' ' HB2' ' S' ' 47' ' ' SER . 14.1 ptmt -60.21 -28.38 67.94 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.638 -0.71 . . . . 2.5 111.528 179.626 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 50' ' ' THR . . . . . 0.424 ' HB ' HG23 ' S' ' 46' ' ' THR . 15.1 m -77.8 -44.24 28.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.966 0.412 . . . . 0.42999999999999999 110.132 -179.435 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 51' ' ' LEU . . . . . 0.576 HD13 HD11 ' S' ' 42' ' ' LEU . 36.4 tp -59.71 -41.93 91.92 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.586 0.708 . . . . 0.46000000000000002 109.564 174.246 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 52' ' ' HIS . . . . . . . . . . . . . 30.7 t-80 -63.71 -45.35 90.35 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.06 -0.973 . . . . 0.55000000000000004 110.925 176.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 53' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -46.81 -49.44 19.97 Favored 'General case' 0 N--CA 1.467 0.38 0 O-C-N 123.789 0.681 . . . . 2.2400000000000002 111.619 179.489 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 54' ' ' TYR . . . . . . . . . . . . . 45.8 t80 -76.67 -40.88 47.59 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.224 -0.444 . . . . 0.55000000000000004 111.838 -174.398 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 55' ' ' PHE . . . . . . . . . . . . . 41.4 m-85 -86.42 -22.73 26.38 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 114.355 1.243 . . . . 0.5 114.355 -169.393 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 56' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -65.23 -16.7 63.82 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 121.796 0.808 . . . . 1.47 109.666 179.605 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 57' ' ' GLN . . . . . . . . . . . . . 49.7 tt0 -60.58 -23.97 65.09 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.995 -1.002 . . . . 2.98 111.49 175.666 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 58' ' ' PHE . . . . . 0.419 ' HB3' ' HB2' ' S' ' 91' ' ' ARG . 54.5 m-85 -99.78 1.41 43.13 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.183 -0.462 . . . . 0.65000000000000002 111.683 -175.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 59' ' ' GLY . . . . . . . . . . . . . . . 138.53 173.92 13.2 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.975 -0.631 . . . . 0.44 111.876 178.31 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 60' ' ' ASP . . . . . 0.408 ' HB2' ' CE ' ' S' ' 84' ' ' LYS . 26.1 m-20 -63.89 135.61 56.69 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 120.935 0.397 . . . . 1.99 110.482 178.808 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 61' ' ' ILE . . . . . 0.688 HG21 ' HB2' ' S' ' 64' ' ' ALA . 66.9 mt -107.07 134.6 48.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.707 -0.679 . . . . 0.42999999999999999 110.438 -178.48 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 62' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -83.85 -40.39 18.71 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.619 0.247 . . . . 1.9099999999999999 110.638 178.088 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 63' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -147.5 121.22 9.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.313 -0.403 . . . . 1.8100000000000001 110.885 179.212 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 64' ' ' ALA . . . . . 0.688 ' HB2' HG21 ' S' ' 61' ' ' ILE . . . -139.59 100.82 4.07 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.482 -0.326 . . . . 0.38 110.283 175.758 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 65' ' ' VAL . . . . . . . . . . . . . 35.0 m -137.09 148.36 26.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.275 -0.42 . . . . 0.35999999999999999 111.33 -177.399 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 66' ' ' VAL . . . . . . . . . . . . . 40.9 t -99.33 114.08 36.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 108.62 -0.881 . . . . 0.29999999999999999 108.62 173.418 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 67' ' ' ILE . . . . . 0.4 HG22 ' HD3' ' S' ' 76' ' ' ARG . 34.4 mm -69.87 128.74 33.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.677 0.275 . . . . 0.46999999999999997 110.681 -173.528 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 68' ' ' THR . . . . . . . . . . . . . 19.9 p -96.5 157.36 15.93 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 116.051 -0.522 . . . . 0.78000000000000003 110.607 -179.328 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 69' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.63 151.89 30.32 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.745 -0.465 . . . . 1.75 109.745 178.826 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 70' ' ' ARG . . . . . . . . . . . . . 65.1 mtt180 -80.54 -6.59 58.46 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.41 0.522 . . . . 4.0199999999999996 112.41 -174.353 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 71' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -92.51 -56.64 2.95 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.699 -0.228 . . . . 2.6400000000000001 110.91 -177.361 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 72' ' ' THR . . . . . . . . . . . . . 33.8 p -112.35 -4.29 14.32 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.652 0.612 . . . . 1.8400000000000001 112.652 -175.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 73' ' ' GLN . . . . . . . . . . . . . 75.1 mm-40 61.37 38.89 15.86 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.019 0.438 . . . . 2.3500000000000001 111.246 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 74' ' ' LYS . . . . . . . . . . . . . 57.2 mttp -109.4 170.53 8.0 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.079 -0.51 . . . . 2.77 109.886 174.227 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 75' ' ' SER . . . . . 0.866 ' HB3' ' HA ' ' S' ' 44' ' ' TYR . 41.2 t -61.31 139.63 58.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.922 0.391 . . . . 1.51 111.358 -177.606 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 76' ' ' ARG . . . . . 0.4 ' HD3' HG22 ' S' ' 67' ' ' ILE . 24.3 mtp180 -88.81 7.5 33.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.807 -0.633 . . . . 2.54 110.496 175.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 77' ' ' GLY . . . . . . . . . . . . . . . 90.13 13.42 60.46 Favored Glycine 0 N--CA 1.45 -0.397 0 CA-C-N 115.9 -0.591 . . . . 0.53000000000000003 113.18 173.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 78' ' ' TYR . . . . . . . . . . . . . 36.5 p90 -162.34 163.81 27.72 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.179 0.514 . . . . 0.59999999999999998 111.378 179.3 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 79' ' ' GLY . . . . . . . . . . . . . . . -145.0 166.42 27.5 Favored Glycine 0 N--CA 1.443 -0.861 0 N-CA-C 111.086 -0.805 . . . . 0.17000000000000001 111.086 177.187 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 80' ' ' PHE . . . . . 0.404 ' O ' ' HA ' ' S' ' 64' ' ' ALA . 77.9 m-85 -118.97 136.61 54.01 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 117.003 0.402 . . . . 0.39000000000000001 110.686 -178.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 81' ' ' VAL . . . . . . . . . . . . . 21.5 t -124.4 118.43 53.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.229 -0.441 . . . . 0.23999999999999999 110.444 178.385 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 82' ' ' THR . . . . . . . . . . . . . 11.9 m -105.76 115.01 29.51 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 109.533 -0.543 . . . . 0.29999999999999999 109.533 177.46 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 83' ' ' MET . . . . . 0.424 ' SD ' HG12 ' S' ' 61' ' ' ILE . 92.7 mmm -90.37 173.74 7.95 Favored 'General case' 0 C--N 1.331 -0.201 0 O-C-N 123.706 0.628 . . . . 0.71999999999999997 111.277 -175.688 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 84' ' ' LYS . . . . . 0.408 ' CE ' ' HB2' ' S' ' 60' ' ' ASP . 19.3 ptpt -70.36 -37.18 74.56 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.862 -0.608 . . . . 2.21 111.742 -176.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 85' ' ' ASP . . . . . . . . . . . . . 22.0 p30 -152.62 -176.61 5.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.44 -0.345 . . . . 1.8500000000000001 110.89 -175.577 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 86' ' ' ARG . . . . . 0.696 HH12 HD11 ' S' ' 109' ' ' LEU . 28.0 tpt180 -65.32 -43.55 90.66 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.281 -0.418 . . . . 3.96 111.146 179.24 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 87' ' ' ALA . . . . . 0.406 ' O ' ' HG3' ' S' ' 91' ' ' ARG . . . -58.21 -48.27 80.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.856 0.36 . . . . 0.62 111.412 -176.054 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 88' ' ' SER . . . . . . . . . . . . . 6.3 p -63.7 -38.31 90.63 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.311 -0.404 . . . . 0.88 110.926 178.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.9 -44.57 96.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.032 -0.531 . . . . 0.34999999999999998 110.835 177.693 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 90' ' ' GLU . . . . . 0.685 ' HA ' ' SG ' ' S' ' 93' ' ' CYS . 59.4 mt-10 -65.74 -33.93 77.02 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.254 -0.43 . . . . 1.8500000000000001 110.853 -178.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 91' ' ' ARG . . . . . 0.437 HH11 ' HD2' ' S' ' 91' ' ' ARG . 69.7 mtt180 -60.56 -38.04 83.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.923 0.392 . . . . 2.9199999999999999 110.529 175.379 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 92' ' ' ALA . . . . . . . . . . . . . . . -77.0 -41.91 40.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.871 -0.604 . . . . 0.46999999999999997 111.395 -178.198 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 93' ' ' CYS . . . . . 0.685 ' SG ' ' HA ' ' S' ' 90' ' ' GLU . 29.0 p -88.35 12.05 15.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.926 0.393 . . . . 1.3500000000000001 110.839 178.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 94' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.51 -47.85 78.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.685 -0.689 . . . . 2.9500000000000002 109.652 175.724 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 95' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -111.49 113.15 53.75 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-N 115.797 -0.638 . . . . 2.1299999999999999 109.87 -179.092 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 96' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.53 -28.34 45.5 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.936 2.424 . . . . 0.76000000000000001 113.524 -173.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 97' ' ' ASN . . . . . 0.404 HD22 ' HA ' ' S' ' 97' ' ' ASN . 7.6 m120 -131.12 79.07 71.71 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 120.845 0.355 . . . . 1.0800000000000001 111.501 -175.25 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 98' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -89.92 167.92 4.66 Favored 'Trans proline' 0 N--CA 1.453 -0.858 0 C-N-CA 122.791 2.327 . . . . 0.53000000000000003 112.477 177.755 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 99' ' ' ILE . . . . . . . . . . . . . 50.8 mm -100.78 100.98 11.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.974 0.416 . . . . 0.51000000000000001 110.084 179.569 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 100' ' ' ILE . . . . . . . . . . . . . 48.1 mt -109.84 123.55 65.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.094 -0.503 . . . . 0.56999999999999995 109.856 -179.264 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 101' ' ' ASP . . . . . . . . . . . . . 30.2 t70 64.17 14.43 8.6 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 121.507 0.67 . . . . 1.3999999999999999 110.897 178.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 102' ' ' GLY . . . . . . . . . . . . . . . 100.41 -4.55 56.89 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.829 -0.701 . . . . 0.81999999999999995 113.131 177.464 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 103' ' ' ARG . . . . . . . . . . . . . 9.2 mmt180 -116.95 157.33 25.92 Favored 'General case' 0 N--CA 1.452 -0.368 0 O-C-N 122.63 -0.335 . . . . 3.1099999999999999 110.54 179.195 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 104' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -87.43 122.81 31.66 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.659 0.266 . . . . 1.98 110.581 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 105' ' ' ALA . . . . . . . . . . . . . . . -105.99 165.44 11.21 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.081 -0.508 . . . . 0.33000000000000002 111.282 -176.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 106' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -110.51 109.47 19.82 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.41 -0.589 . . . . 1.99 109.41 178.124 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 107' ' ' VAL . . . . . . . . . . . . . 53.7 t -102.59 126.74 56.71 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 N-CA-C 110.051 -0.351 . . . . 0.33000000000000002 110.051 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 108' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -162.54 157.67 22.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 1.76 109.871 -176.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 109' ' ' LEU . . . . . 0.696 HD11 HH12 ' S' ' 86' ' ' ARG . 96.6 mt -73.59 133.37 43.49 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.74 -0.467 . . . . 0.56999999999999995 109.74 176.544 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.74 -28.97 70.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.039 0.447 . . . . 0.66000000000000003 110.858 179.166 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 111' ' ' TYR . . . . . 0.467 ' HB2' ' HB2' ' S' ' 33' ' ' MET . 0.0 OUTLIER -74.46 -13.25 60.68 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.657 -0.701 . . . . 1.25 111.234 -179.346 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' S' S ' 112' ' ' LEU . . . . . . . . . . . . . 81.2 mt -94.99 6.56 48.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.643 -0.253 . . . . 1.54 111.013 179.507 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 113' ' ' GLY . . . . . . . . . . . . . . . 109.45 84.98 1.62 Allowed Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.528 -0.844 . . . . 1.9399999999999999 112.352 179.602 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 114' ' ' ALA . . . . . 0.407 ' O ' ' HD3' ' S' ' 116' ' ' PRO . . . -78.2 99.91 6.43 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.085 0.469 . . . . 1.6200000000000001 111.169 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 115' ' ' LYS . . . . . 0.417 ' NZ ' ' HB2' ' S' ' 115' ' ' LYS . 0.2 OUTLIER -106.22 99.12 21.8 Favored Pre-proline 0 C--N 1.325 -0.457 0 N-CA-C 109.445 -0.576 . . . . 5.2699999999999996 109.445 174.674 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' S' S ' 116' ' ' PRO . . . . . 0.407 ' HD3' ' O ' ' S' ' 114' ' ' ALA . 7.4 Cg_exo -72.68 -53.8 0.14 Allowed 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.755 2.303 . . . . 2.96 112.626 -177.645 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 117' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -146.46 11.67 1.15 Allowed 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.458 -0.792 . . . . 4.5 110.196 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 118' ' ' THR . . . . . . . . . . . . . 11.9 p -87.12 -68.68 0.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.132 -0.485 . . . . 6.2999999999999998 111.019 -177.365 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 119' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 60.69 -162.51 0.27 Allowed 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.889 -0.596 . . . . 6.9100000000000001 110.652 -178.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 120' ' ' VAL . . . . . . . . . . . . . 41.3 t -92.26 -27.27 4.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.317 0.58 . . . . 8.8900000000000006 110.17 178.141 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 121' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 . . . . . 0 C--O 1.245 0.818 0 CA-C-O 118.351 -0.833 . . . . 11.5 109.636 -179.397 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' S' S ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.587 0 N-CA-C 111.843 -0.503 . . . . 11.029999999999999 111.843 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' S' S ' 26' ' ' ALA . . . . . . . . . . . . . . . -129.19 130.73 46.71 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 110.03 -0.359 . . . . 9.4600000000000009 110.03 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 27' ' ' MET . . . . . . . . . . . . . 23.8 ptp -151.01 -178.01 6.35 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.368 -0.378 . . . . 9.9100000000000001 110.548 -178.108 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 28' ' ' GLY . . . . . . . . . . . . . . . 103.88 -105.36 2.62 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.854 -0.689 . . . . 5.7699999999999996 111.46 -178.286 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 29' ' ' SER . . . . . . . . . . . . . 17.6 m 64.64 -177.41 0.17 Allowed 'General case' 0 CA--C 1.531 0.239 0 CA-C-O 121.123 0.487 . . . . 4.4500000000000002 111.419 177.676 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 30' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -113.38 134.36 54.68 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.592 -0.522 . . . . 7.0300000000000002 109.592 177.418 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 31' ' ' ASP . . . . . . . . . . . . . 52.3 t0 -69.43 101.26 1.53 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.474 0.654 . . . . 3.3900000000000001 111.116 -179.003 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 32' ' ' THR . . . . . 0.467 ' HA ' ' OG1' ' S' ' 35' ' ' THR . 0.9 OUTLIER -115.76 14.57 16.37 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 114.889 -1.05 . . . . 1.26 108.987 172.851 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' S' S ' 33' ' ' MET . . . . . 0.422 ' HG3' ' HB2' ' S' ' 111' ' ' TYR . 55.8 ttm -84.99 -54.93 4.33 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.179 -0.919 . . . . 1.3899999999999999 110.6 -179.526 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 34' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -93.37 4.7 53.55 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.041 -0.527 . . . . 0.96999999999999997 111.4 -175.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 35' ' ' THR . . . . . 0.636 ' O ' ' HA ' ' S' ' 82' ' ' THR . 18.3 p -110.2 -11.02 14.62 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.319 -0.4 . . . . 0.55000000000000004 110.452 -178.235 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 36' ' ' LYS . . . . . 0.436 ' HB2' ' O ' ' S' ' 32' ' ' THR . 79.0 tttt -94.17 103.42 15.46 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.617 -0.72 . . . . 1.95 111.068 -172.502 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 37' ' ' ILE . . . . . 0.565 HD11 ' HA ' ' S' ' 89' ' ' ALA . 72.3 mt -95.84 131.66 42.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.947 -0.57 . . . . 0.40999999999999998 110.371 177.698 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 38' ' ' PHE . . . . . 0.463 ' HD1' ' CE1' ' S' ' 80' ' ' PHE . 92.6 t80 -98.52 123.76 42.87 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.374 -0.602 . . . . 0.45000000000000001 109.374 176.558 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 39' ' ' VAL . . . . . . . . . . . . . 21.7 t -121.67 104.08 14.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.442 -0.345 . . . . 0.20000000000000001 110.333 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 40' ' ' GLY . . . . . . . . . . . . . . . -114.85 165.21 12.05 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.914 -0.66 . . . . 0.27000000000000002 112.073 -178.062 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 41' ' ' GLY . . . . . . . . . . . . . . . 94.37 25.78 15.39 Favored Glycine 0 C--O 1.229 -0.182 0 C-N-CA 121.047 -0.597 . . . . 0.48999999999999999 111.999 178.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 42' ' ' LEU . . . . . 0.591 HD13 HG21 ' S' ' 46' ' ' THR . 69.7 mt -99.83 146.79 32.48 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-O 120.574 0.226 . . . . 0.59999999999999998 110.687 -177.003 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 43' ' ' PRO . . . . . 0.491 ' HG3' ' HG3' ' S' ' 103' ' ' ARG . 17.2 Cg_exo -67.98 165.97 26.34 Favored 'Trans proline' 0 N--CA 1.462 -0.335 0 C-N-CA 122.444 2.096 . . . . 0.55000000000000004 111.571 172.398 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 44' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -66.49 -16.36 64.07 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 121.373 0.606 . . . . 2.4100000000000001 111.213 -178.353 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 45' ' ' HIS . . . . . . . . . . . . . 10.8 m80 -84.94 -6.46 59.34 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.508 -0.769 . . . . 2.3100000000000001 110.791 -174.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 46' ' ' THR . . . . . 0.591 HG21 HD13 ' S' ' 42' ' ' LEU . 6.5 m -75.63 110.39 9.99 Favored 'General case' 0 N--CA 1.443 -0.79 0 N-CA-C 109.584 -0.524 . . . . 0.53000000000000003 109.584 -176.454 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 47' ' ' SER . . . . . . . . . . . . . 15.7 m -89.9 166.55 13.43 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.072 0.463 . . . . 0.68000000000000005 110.754 -178.163 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 48' ' ' ASP . . . . . 0.424 ' CB ' ' HA ' ' S' ' 65' ' ' VAL . 30.1 p-10 -59.89 -43.71 94.64 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.874 -0.603 . . . . 1.29 110.809 178.791 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 49' ' ' LYS . . . . . . . . . . . . . 54.1 pttt -61.97 -31.96 72.36 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.711 -0.677 . . . . 2.5 111.229 176.466 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 50' ' ' THR . . . . . . . . . . . . . 7.8 m -68.17 -46.78 69.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.084 0.469 . . . . 0.42999999999999999 110.239 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 51' ' ' LEU . . . . . 0.447 HD22 ' HA3' ' S' ' 79' ' ' GLY . 34.7 tp -59.38 -42.95 92.85 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.468 -0.787 . . . . 0.46000000000000002 109.941 176.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 52' ' ' HIS . . . . . . . . . . . . . 65.2 t60 -61.85 -46.73 88.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.558 -0.746 . . . . 0.55000000000000004 110.629 177.431 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 53' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -54.02 -38.04 64.72 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 122.761 0.424 . . . . 2.2400000000000002 111.464 -177.168 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 54' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -77.25 -41.58 40.52 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.98 0.419 . . . . 0.55000000000000004 111.52 -177.309 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 55' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -85.03 -20.15 30.88 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.33 0.493 . . . . 0.5 112.33 -174.202 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 56' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -57.04 -23.54 47.24 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.435 0.636 . . . . 1.47 110.228 178.396 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 57' ' ' GLN . . . . . . . . . . . . . 19.3 tp60 -55.64 -34.24 64.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.141 -0.936 . . . . 2.98 111.541 174.625 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 58' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -93.24 -6.37 47.77 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 112.093 0.405 . . . . 0.65000000000000002 112.093 -172.753 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 59' ' ' GLY . . . . . . . . . . . . . . . 141.71 -168.63 25.5 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.444 -0.884 . . . . 0.44 112.997 177.763 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 60' ' ' ASP . . . . . 0.712 ' HB2' ' HD2' ' S' ' 84' ' ' LYS . 10.1 m-20 -72.14 143.32 49.0 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 120.9 0.381 . . . . 1.99 110.786 -178.17 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 61' ' ' ILE . . . . . 0.779 HG21 ' HB2' ' S' ' 64' ' ' ALA . 61.6 mt -119.8 125.34 74.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.936 -0.575 . . . . 0.42999999999999999 110.498 -178.094 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 62' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -81.03 -31.51 34.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 1.9099999999999999 110.96 -178.549 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 63' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -155.11 116.99 4.12 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.034 -0.53 . . . . 1.8100000000000001 110.062 -177.565 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 64' ' ' ALA . . . . . 0.779 ' HB2' HG21 ' S' ' 61' ' ' ILE . . . -139.39 100.9 4.11 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.733 0.301 . . . . 0.38 110.355 177.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 65' ' ' VAL . . . . . 0.424 ' HA ' ' CB ' ' S' ' 48' ' ' ASP . 21.6 m -140.27 142.26 31.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 120.808 0.337 . . . . 0.35999999999999999 111.082 -177.449 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 66' ' ' VAL . . . . . . . . . . . . . 91.7 t -90.12 118.06 34.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 108.337 -0.986 . . . . 0.29999999999999999 108.337 171.233 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 67' ' ' ILE . . . . . 0.451 HG22 ' HD3' ' S' ' 76' ' ' ARG . 46.8 mm -68.83 123.95 23.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.25 -0.432 . . . . 0.46999999999999997 111.466 -171.232 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 68' ' ' THR . . . . . . . . . . . . . 7.7 p -93.34 146.94 23.36 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 115.627 -0.715 . . . . 0.78000000000000003 109.88 176.322 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 69' ' ' ASP . . . . . 0.539 ' O ' ' HA ' ' S' ' 73' ' ' GLN . 18.2 t70 -65.52 149.72 49.58 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.238 -0.437 . . . . 1.75 110.802 -179.589 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 70' ' ' ARG . . . . . . . . . . . . . 57.5 mtp180 -78.92 -29.76 44.38 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.345 -0.389 . . . . 4.0199999999999996 111.058 -175.198 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 71' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -86.34 -56.24 3.53 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.369 -0.378 . . . . 2.6400000000000001 111.536 -179.104 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 72' ' ' THR . . . . . . . . . . . . . 61.5 p -86.1 -24.16 26.39 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.189 -0.46 . . . . 1.8400000000000001 111.937 -175.765 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 73' ' ' GLN . . . . . 0.539 ' HA ' ' O ' ' S' ' 69' ' ' ASP . 19.8 mm-40 66.17 19.38 11.1 Favored 'General case' 0 N--CA 1.465 0.318 0 O-C-N 123.573 0.546 . . . . 2.3500000000000001 111.166 -176.394 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 74' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -94.66 162.73 13.66 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.038 -0.528 . . . . 2.77 109.786 177.275 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 75' ' ' SER . . . . . . . . . . . . . 47.8 t -63.42 137.97 58.35 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.86 0.362 . . . . 1.51 110.679 -179.647 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 76' ' ' ARG . . . . . 0.451 ' HD3' HG22 ' S' ' 67' ' ' ILE . 32.8 mtp85 -93.48 3.17 55.99 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.262 -0.427 . . . . 2.54 111.287 -178.321 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 77' ' ' GLY . . . . . . . . . . . . . . . 87.14 20.32 53.14 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.592 -0.813 . . . . 0.53000000000000003 114.077 172.611 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 78' ' ' TYR . . . . . . . . . . . . . 39.0 p90 -166.27 159.37 14.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 117.144 0.472 . . . . 0.59999999999999998 110.455 178.506 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 79' ' ' GLY . . . . . 0.447 ' HA3' HD22 ' S' ' 51' ' ' LEU . . . -140.64 165.43 26.13 Favored Glycine 0 N--CA 1.447 -0.628 0 N-CA-C 111.411 -0.676 . . . . 0.17000000000000001 111.411 179.301 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 80' ' ' PHE . . . . . 0.463 ' CE1' ' HD1' ' S' ' 38' ' ' PHE . 96.6 m-85 -113.78 137.56 51.47 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 110.118 -0.327 . . . . 0.39000000000000001 110.118 177.662 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 81' ' ' VAL . . . . . . . . . . . . . 37.4 t -121.47 112.73 36.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.182 -0.463 . . . . 0.23999999999999999 110.262 178.51 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 82' ' ' THR . . . . . 0.636 ' HA ' ' O ' ' S' ' 35' ' ' THR . 23.2 m -102.39 107.11 18.01 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.295 -0.631 . . . . 0.29999999999999999 109.295 176.307 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 83' ' ' MET . . . . . 0.494 ' SD ' HG12 ' S' ' 61' ' ' ILE . 92.4 mmm -79.81 159.11 26.63 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 110.104 -0.332 . . . . 0.71999999999999997 110.104 -178.04 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 84' ' ' LYS . . . . . 0.712 ' HD2' ' HB2' ' S' ' 60' ' ' ASP . 9.8 ptmm? -66.7 -28.66 68.62 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 121.086 0.47 . . . . 2.21 110.475 -179.734 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 85' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -135.46 153.86 51.62 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 116.061 -0.518 . . . . 1.8500000000000001 111.186 -178.036 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 86' ' ' ARG . . . . . . . . . . . . . 82.3 mtm180 -67.2 -27.33 67.17 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.295 -0.866 . . . . 3.96 110.171 178.166 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 87' ' ' ALA . . . . . 0.518 ' O ' ' HG3' ' S' ' 90' ' ' GLU . . . -66.74 -40.08 88.19 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.146 -0.479 . . . . 0.62 110.748 177.203 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 88' ' ' SER . . . . . . . . . . . . . 15.3 m -67.74 -33.45 74.88 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.225 0.536 . . . . 0.88 110.196 177.291 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 89' ' ' ALA . . . . . 0.565 ' HA ' HD11 ' S' ' 37' ' ' ILE . . . -65.31 -46.91 78.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.506 -0.77 . . . . 0.34999999999999998 111.182 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 90' ' ' GLU . . . . . 0.613 ' O ' ' HG2' ' S' ' 94' ' ' LYS . 2.6 pp20? -66.98 -30.55 70.69 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.739 -0.384 . . . . 1.8500000000000001 111.033 -179.022 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 91' ' ' ARG . . . . . 0.508 ' HG3' ' O ' ' S' ' 87' ' ' ALA . 99.3 mtt180 -57.03 -50.78 71.67 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 121.005 0.431 . . . . 2.9199999999999999 110.591 175.411 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.13 -28.88 66.85 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.864 -0.607 . . . . 0.46999999999999997 111.008 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 93' ' ' CYS . . . . . . . . . . . . . 49.8 t -80.52 -9.68 59.76 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.081 -0.509 . . . . 1.3500000000000001 111.438 -177.059 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 94' ' ' LYS . . . . . 0.613 ' HG2' ' O ' ' S' ' 90' ' ' GLU . 28.6 mmtp -74.29 -9.86 59.02 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 122.258 -0.276 . . . . 2.9500000000000002 111.555 178.404 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 95' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -120.97 89.26 45.75 Favored Pre-proline 0 C--N 1.327 -0.404 0 N-CA-C 108.667 -0.864 . . . . 2.1299999999999999 108.667 172.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 96' ' ' PRO . . . . . 0.418 ' C ' HD22 ' S' ' 97' ' ' ASN . 19.1 Cg_exo -67.84 -29.83 34.47 Favored 'Trans proline' 0 C--O 1.234 0.276 0 C-N-CA 122.997 2.465 . . . . 0.76000000000000001 113.709 -171.025 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 97' ' ' ASN . . . . . 0.418 HD22 ' C ' ' S' ' 96' ' ' PRO . 0.8 OUTLIER -128.78 77.18 78.04 Favored Pre-proline 0 N--CA 1.467 0.404 0 CA-C-O 120.556 0.217 . . . . 1.0800000000000001 110.963 -178.266 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' S' S ' 98' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -84.91 151.86 11.2 Favored 'Trans proline' 0 N--CA 1.455 -0.782 0 C-N-CA 123.198 2.599 . . . . 0.53000000000000003 112.095 178.476 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 99' ' ' ILE . . . . . . . . . . . . . 48.9 mm -93.31 108.32 20.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 116.012 -0.54 . . . . 0.51000000000000001 110.544 178.14 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 100' ' ' ILE . . . . . . . . . . . . . 62.7 mt -116.82 122.85 70.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.51 -0.768 . . . . 0.56999999999999995 109.473 179.362 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 101' ' ' ASP . . . . . . . . . . . . . 38.5 t70 65.67 15.47 10.06 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 121.913 0.863 . . . . 1.3999999999999999 110.358 -178.771 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 102' ' ' GLY . . . . . . . . . . . . . . . 89.72 -0.81 80.41 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.75 -0.738 . . . . 0.81999999999999995 111.55 -177.29 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 103' ' ' ARG . . . . . 0.491 ' HG3' ' HG3' ' S' ' 43' ' ' PRO . 35.4 mmt180 -103.18 151.84 22.15 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-O 120.801 0.334 . . . . 3.1099999999999999 110.794 -179.468 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 104' ' ' LYS . . . . . 0.403 ' HE3' ' HB2' ' S' ' 104' ' ' LYS . 35.5 ttmt -89.51 108.82 19.88 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.239 -0.437 . . . . 1.98 110.172 -178.604 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 105' ' ' ALA . . . . . . . . . . . . . . . -94.44 157.62 15.92 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.235 -0.439 . . . . 0.33000000000000002 111.113 -177.665 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 106' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -111.23 110.06 20.37 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.906 -0.588 . . . . 1.99 109.66 178.304 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 107' ' ' VAL . . . . . . . . . . . . . 75.2 t -109.7 127.08 66.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 120.958 0.409 . . . . 0.33000000000000002 110.669 -178.719 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 108' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -163.97 151.74 12.6 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.786 -0.643 . . . . 1.76 109.903 -179.4 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 109' ' ' LEU . . . . . . . . . . . . . 94.8 mt -65.77 129.94 41.53 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.439 -0.578 . . . . 0.56999999999999995 109.439 175.64 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.28 -24.27 67.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.021 0.439 . . . . 0.66000000000000003 111.189 -176.215 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 111' ' ' TYR . . . . . 0.422 ' HB2' ' HG3' ' S' ' 33' ' ' MET . 0.0 OUTLIER -73.39 -16.28 61.34 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.762 -0.654 . . . . 1.25 110.986 179.653 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' S' S ' 112' ' ' LEU . . . . . . . . . . . . . 85.6 mt -92.54 2.97 56.39 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.336 -0.393 . . . . 1.54 110.472 177.05 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 113' ' ' GLY . . . . . . . . . . . . . . . 123.65 100.9 1.46 Allowed Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.532 -0.842 . . . . 1.9399999999999999 112.537 178.789 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 114' ' ' ALA . . . . . . . . . . . . . . . -100.1 112.55 24.85 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.767 0.317 . . . . 1.6200000000000001 110.464 178.117 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 115' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -113.33 98.19 45.58 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 116.323 -0.399 . . . . 5.2699999999999996 110.729 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 116' ' ' PRO . . . . . . . . . . . . . 8.5 Cg_exo -72.58 -72.74 0.02 OUTLIER 'Trans proline' 0 N--CA 1.462 -0.355 0 C-N-CA 122.866 2.378 . . . . 2.96 111.924 177.783 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 117' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -171.15 134.3 0.91 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.226 -0.897 . . . . 4.5 110.025 179.088 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 118' ' ' THR . . . . . . . . . . . . . 21.5 p -137.88 147.19 44.21 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.54 -0.3 . . . . 6.2999999999999998 110.271 177.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 119' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -92.06 137.4 32.39 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.406 -0.59 . . . . 6.9100000000000001 109.406 175.624 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 120' ' ' VAL . . . . . . . . . . . . . 27.7 m -65.92 -32.46 58.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 108.941 -0.762 . . . . 8.8900000000000006 108.941 171.408 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 121' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 . . . . . 0 C--O 1.245 0.863 0 CA-C-N 114.822 -1.081 . . . . 11.5 108.93 171.882 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' S' S ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.628 0 N-CA-C 112.292 -0.323 . . . . 11.029999999999999 112.292 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' S' S ' 26' ' ' ALA . . . . . . . . . . . . . . . 59.78 86.43 0.09 Allowed 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 123.22 0.608 . . . . 9.4600000000000009 111.972 177.546 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 27' ' ' MET . . . . . . . . . . . . . 44.5 tpp -100.11 123.64 44.58 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.267 -0.424 . . . . 9.9100000000000001 110.639 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 28' ' ' GLY . . . . . . . . . . . . . . . 138.31 -56.96 0.65 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 121.061 -0.59 . . . . 5.7699999999999996 112.37 178.561 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 29' ' ' SER . . . . . . . . . . . . . 21.1 m 70.3 166.66 0.29 Allowed 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.086 0.554 . . . . 4.4500000000000002 111.324 -178.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 30' ' ' ARG . . . . . 0.401 ' HD2' ' N ' ' S' ' 30' ' ' ARG . 4.3 mpt_? -108.19 105.31 14.98 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.83 -0.433 . . . . 7.0300000000000002 109.83 176.713 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' S' S ' 31' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -67.19 -27.5 67.32 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.642 -0.708 . . . . 3.3900000000000001 110.455 -177.472 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 32' ' ' THR . . . . . 0.571 ' HA ' ' OG1' ' S' ' 35' ' ' THR . 25.1 p -73.22 -0.16 13.54 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 113.29 0.848 . . . . 1.26 113.29 -172.656 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 25.6 ttt -64.67 -37.14 86.56 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.121 0.486 . . . . 1.3899999999999999 110.745 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 34' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -108.67 14.45 24.44 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.991 -0.549 . . . . 0.96999999999999997 111.65 -175.023 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 35' ' ' THR . . . . . 0.571 ' OG1' ' HA ' ' S' ' 32' ' ' THR . 74.9 p -123.78 -3.43 8.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.876 0.37 . . . . 0.55000000000000004 110.779 -179.695 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' S' S ' 36' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -91.93 103.1 15.66 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.612 0.72 . . . . 1.95 110.472 -178.491 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 37' ' ' ILE . . . . . 0.639 HD11 ' HA ' ' S' ' 89' ' ' ALA . 63.2 mt -96.17 142.44 13.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 114.987 -1.006 . . . . 0.40999999999999998 111.0 -176.66 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' S' S ' 38' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -104.91 133.28 49.97 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.875 -0.602 . . . . 0.45000000000000001 109.616 173.275 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 39' ' ' VAL . . . . . . . . . . . . . 20.7 t -126.33 103.05 10.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.382 -0.372 . . . . 0.20000000000000001 110.03 178.186 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 40' ' ' GLY . . . . . . . . . . . . . . . -113.79 152.82 17.91 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.471 -0.871 . . . . 0.27000000000000002 112.002 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 41' ' ' GLY . . . . . . . . . . . . . . . 99.31 38.62 3.71 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.651 -0.785 . . . . 0.48999999999999999 111.66 -179.12 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 42' ' ' LEU . . . . . 0.501 ' O ' ' HA2' ' S' ' 77' ' ' GLY . 57.8 mt -104.14 144.64 29.11 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-N 115.494 -0.353 . . . . 0.59999999999999998 110.289 -178.104 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' S' S ' 43' ' ' PRO . . . . . 0.487 ' HD2' ' OG1' ' S' ' 46' ' ' THR . 18.4 Cg_exo -66.85 167.39 19.68 Favored 'Trans proline' 0 N--CA 1.46 -0.491 0 C-N-CA 122.292 1.994 . . . . 0.55000000000000004 111.612 173.125 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' S' S ' 44' ' ' TYR . . . . . 0.824 ' HA ' ' HB3' ' S' ' 75' ' ' SER . 6.5 m-85 -73.06 -9.88 59.2 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.01 -0.541 . . . . 2.4100000000000001 110.748 -175.337 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' S' S ' 45' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -89.66 -10.59 45.26 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.668 -0.696 . . . . 2.3100000000000001 109.379 -178.771 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 46' ' ' THR . . . . . 0.558 HG22 HG21 ' S' ' 66' ' ' VAL . 91.1 m -85.35 110.15 18.91 Favored 'General case' 0 N--CA 1.437 -1.105 0 CA-C-N 115.464 -0.789 . . . . 0.53000000000000003 109.655 -178.408 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' S' S ' 47' ' ' SER . . . . . . . . . . . . . 43.2 m -109.72 -175.05 2.64 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.835 -0.62 . . . . 0.68000000000000005 110.575 -178.242 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 48' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -49.33 -49.49 43.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.834 -0.621 . . . . 1.29 111.216 176.012 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' S' S ' 49' ' ' LYS . . . . . 0.409 ' HG3' ' N ' ' S' ' 50' ' ' THR . 0.7 OUTLIER -58.38 -36.85 74.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.326 -0.397 . . . . 2.5 111.3 179.496 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' S' S ' 50' ' ' THR . . . . . 0.409 ' N ' ' HG3' ' S' ' 49' ' ' LYS . 4.6 m -69.71 -46.14 66.64 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 120.732 0.301 . . . . 0.42999999999999999 110.809 -175.473 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' S' S ' 51' ' ' LEU . . . . . . . . . . . . . 12.5 tp -65.49 -40.09 92.68 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-O 120.936 0.398 . . . . 0.46000000000000002 110.321 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 52' ' ' HIS . . . . . . . . . . . . . 43.4 t60 -64.33 -46.2 84.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.55000000000000004 110.303 177.444 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 53' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -51.4 -43.24 61.89 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 115.382 -0.826 . . . . 2.2400000000000002 111.622 -178.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 54' ' ' TYR . . . . . . . . . . . . . 43.4 t80 -76.29 -41.44 48.69 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.966 -0.561 . . . . 0.55000000000000004 111.604 -175.452 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 55' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -85.57 -20.79 29.04 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 113.033 0.753 . . . . 0.5 113.033 -172.044 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 56' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -60.57 -21.11 62.22 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 121.138 0.494 . . . . 1.47 111.001 -179.237 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 57' ' ' GLN . . . . . . . . . . . . . 19.8 tp60 -60.59 -36.94 79.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.048 0.452 . . . . 2.98 110.812 175.617 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 58' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -81.91 -16.56 50.17 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.435 -0.348 . . . . 0.65000000000000002 111.329 -174.617 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 59' ' ' GLY . . . . . . . . . . . . . . . 156.71 178.39 30.76 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.422 -0.894 . . . . 0.44 112.724 178.327 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 60' ' ' ASP . . . . . 0.449 ' HB3' ' HD3' ' S' ' 84' ' ' LYS . 26.0 t70 -71.19 147.75 48.0 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-O 120.877 0.37 . . . . 1.99 110.496 178.283 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' S' S ' 61' ' ' ILE . . . . . 0.637 HG21 ' HB2' ' S' ' 64' ' ' ALA . 51.6 mt -122.93 139.21 50.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.801 -0.636 . . . . 0.42999999999999999 111.288 -169.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' S' S ' 62' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -88.41 -48.57 7.53 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.072 0.463 . . . . 1.9099999999999999 110.624 174.548 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 63' ' ' GLU . . . . . 0.487 ' O ' ' HA ' ' S' ' 81' ' ' VAL . 3.4 tp10 -128.91 124.89 36.34 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.882 -0.599 . . . . 1.8100000000000001 109.938 -176.886 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' S' S ' 64' ' ' ALA . . . . . 0.637 ' HB2' HG21 ' S' ' 61' ' ' ILE . . . -149.95 99.5 2.84 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.783 0.325 . . . . 0.38 110.493 176.387 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' S' S ' 65' ' ' VAL . . . . . . . . . . . . . 30.9 m -146.0 142.44 21.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.944 -0.571 . . . . 0.35999999999999999 110.708 179.58 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 66' ' ' VAL . . . . . 0.558 HG21 HG22 ' S' ' 46' ' ' THR . 87.6 t -95.18 126.17 47.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 107.606 -1.257 . . . . 0.29999999999999999 107.606 168.626 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' S' S ' 67' ' ' ILE . . . . . . . . . . . . . 50.6 mm -68.43 127.33 30.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.035 0.445 . . . . 0.46999999999999997 110.875 -170.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 68' ' ' THR . . . . . . . . . . . . . 37.4 p -101.3 144.25 30.37 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 115.464 -0.789 . . . . 0.78000000000000003 111.318 -176.116 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 69' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -59.55 140.01 56.67 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.458 -0.792 . . . . 1.75 109.891 175.388 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 70' ' ' ARG . . . . . . . . . . . . . 38.1 mmt180 -74.27 -15.62 60.97 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.238 0.459 . . . . 4.0199999999999996 112.238 -174.409 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 71' ' ' ASN . . . . . . . . . . . . . 14.3 m-80 -93.84 -56.27 2.94 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.127 0.489 . . . . 2.6400000000000001 110.25 -176.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 72' ' ' THR . . . . . . . . . . . . . 31.9 p -96.07 -15.23 22.33 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.575 -0.738 . . . . 1.8400000000000001 112.259 -174.126 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 73' ' ' GLN . . . . . . . . . . . . . 18.4 mm-40 64.66 24.26 12.92 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.13 0.49 . . . . 2.3500000000000001 111.083 -177.53 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 74' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -92.14 165.45 13.14 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.862 -0.608 . . . . 2.77 110.342 177.719 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 75' ' ' SER . . . . . 0.824 ' HB3' ' HA ' ' S' ' 44' ' ' TYR . 35.8 t -66.36 140.43 58.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.433 -0.348 . . . . 1.51 110.767 179.036 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' S' S ' 76' ' ' ARG . . . . . . . . . . . . . 67.9 mtp180 -101.18 6.04 42.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.066 0.46 . . . . 2.54 110.776 177.207 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 77' ' ' GLY . . . . . 0.501 ' HA2' ' O ' ' S' ' 42' ' ' LEU . . . 90.13 20.85 40.75 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.828 -0.701 . . . . 0.53000000000000003 114.368 173.089 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' S' S ' 78' ' ' TYR . . . . . . . . . . . . . 46.1 p90 -162.25 151.48 15.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 117.567 0.684 . . . . 0.59999999999999998 110.976 177.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 79' ' ' GLY . . . . . . . . . . . . . . . -147.59 175.85 26.72 Favored Glycine 0 N--CA 1.444 -0.794 0 C-N-CA 121.162 -0.542 . . . . 0.17000000000000001 111.878 177.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 80' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -128.38 141.56 51.38 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 110.273 -0.269 . . . . 0.39000000000000001 110.273 179.081 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 81' ' ' VAL . . . . . 0.487 ' HA ' ' O ' ' S' ' 63' ' ' GLU . 49.9 t -130.75 115.66 31.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.067 0.46 . . . . 0.23999999999999999 110.652 178.827 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' S' S ' 82' ' ' THR . . . . . . . . . . . . . 24.6 m -101.02 113.33 26.22 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.734 -0.469 . . . . 0.29999999999999999 109.734 176.625 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 83' ' ' MET . . . . . . . . . . . . . 91.9 mmm -88.56 167.3 13.52 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 123.645 0.59 . . . . 0.71999999999999997 110.951 -175.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 84' ' ' LYS . . . . . 0.449 ' HD3' ' HB3' ' S' ' 60' ' ' ASP . 13.4 pttm -80.74 -26.66 37.2 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 116.305 -0.407 . . . . 2.21 111.085 -178.182 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' S' S ' 85' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -129.19 151.11 50.22 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 116.295 -0.412 . . . . 1.8500000000000001 110.741 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 86' ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -66.3 -31.93 73.03 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.933 -0.766 . . . . 3.96 108.933 172.35 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 87' ' ' ALA . . . . . 0.459 ' O ' ' HG3' ' S' ' 91' ' ' ARG . . . -61.78 -43.82 98.1 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.772 -0.649 . . . . 0.62 110.633 176.646 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' S' S ' 88' ' ' SER . . . . . . . . . . . . . 10.6 m -64.38 -35.08 79.73 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.091 0.472 . . . . 0.88 110.042 177.412 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 89' ' ' ALA . . . . . 0.639 ' HA ' HD11 ' S' ' 37' ' ' ILE . . . -67.41 -48.76 66.4 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.618 -0.719 . . . . 0.34999999999999998 111.033 179.783 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' S' S ' 90' ' ' GLU . . . . . 0.402 ' HG2' ' HA ' ' S' ' 87' ' ' ALA . 11.9 pt-20 -70.2 -23.14 62.9 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.808 -0.178 . . . . 1.8500000000000001 111.048 -178.389 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' S' S ' 91' ' ' ARG . . . . . 0.459 ' HG3' ' O ' ' S' ' 87' ' ' ALA . 95.8 mtt180 -66.14 -39.05 89.56 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.017 0.437 . . . . 2.9199999999999999 110.099 171.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' S' S ' 92' ' ' ALA . . . . . . . . . . . . . . . -74.29 -40.08 62.51 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.834 -0.621 . . . . 0.46999999999999997 110.653 177.494 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 93' ' ' CYS . . . . . . . . . . . . . 73.8 m -73.43 -8.22 54.99 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.117 -0.492 . . . . 1.3500000000000001 111.094 178.05 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 94' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -64.99 -24.32 67.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.06 0.457 . . . . 2.9500000000000002 109.966 176.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 95' ' ' ASP . . . . . 0.421 ' HA ' ' HD3' ' S' ' 96' ' ' PRO . 36.6 t0 -109.72 99.12 36.67 Favored Pre-proline 0 C--N 1.328 -0.34 0 N-CA-C 108.561 -0.903 . . . . 2.1299999999999999 108.561 172.708 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' S' S ' 96' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' S' ' 95' ' ' ASP . 11.4 Cg_exo -71.59 -21.95 25.01 Favored 'Trans proline' 0 C--O 1.234 0.312 0 C-N-CA 123.073 2.515 . . . . 0.76000000000000001 113.398 -171.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' S' S ' 97' ' ' ASN . . . . . 0.702 ' HA ' ' O ' ' S' ' 105' ' ' ALA . 0.3 OUTLIER -152.51 67.89 6.87 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-O 120.759 0.314 . . . . 1.0800000000000001 111.49 -175.801 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' S' S ' 98' ' ' PRO . . . . . 0.507 ' O ' ' HA ' ' S' ' 104' ' ' LYS . 92.4 Cg_endo -79.61 157.8 25.06 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.967 2.444 . . . . 0.53000000000000003 112.667 -178.206 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' S' S ' 99' ' ' ILE . . . . . . . . . . . . . 43.1 mm -87.18 100.78 10.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.299 -0.41 . . . . 0.51000000000000001 110.375 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 100' ' ' ILE . . . . . . . . . . . . . 48.1 mt -111.46 118.51 57.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 116.189 -0.459 . . . . 0.56999999999999995 109.88 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 101' ' ' ASP . . . . . . . . . . . . . 37.6 t0 60.73 30.08 19.45 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 121.795 0.807 . . . . 1.3999999999999999 110.476 177.379 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 102' ' ' GLY . . . . . . . . . . . . . . . 87.13 12.91 67.12 Favored Glycine 0 N--CA 1.45 -0.391 0 CA-C-N 115.584 -0.735 . . . . 0.81999999999999995 113.33 177.159 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 103' ' ' ARG . . . . . . . . . . . . . 5.7 tpp180 -138.28 135.98 36.02 Favored 'General case' 0 C--N 1.322 -0.592 0 O-C-N 122.197 -0.59 . . . . 3.1099999999999999 109.938 179.446 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 104' ' ' LYS . . . . . 0.507 ' HA ' ' O ' ' S' ' 98' ' ' PRO . 0.2 OUTLIER -77.1 109.58 11.06 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.665 0.745 . . . . 1.98 109.921 179.498 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' S' S ' 105' ' ' ALA . . . . . 0.702 ' O ' ' HA ' ' S' ' 97' ' ' ASN . . . -85.36 156.93 20.67 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.187 -0.915 . . . . 0.33000000000000002 110.747 -176.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' S' S ' 106' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -102.69 109.49 21.1 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 109.217 -0.66 . . . . 1.99 109.217 -179.489 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 107' ' ' VAL . . . . . . . . . . . . . 43.6 t -104.98 126.46 59.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.403 -0.362 . . . . 0.33000000000000002 110.406 -177.49 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 108' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -164.81 161.85 20.65 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.316 -0.624 . . . . 1.76 109.316 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 109' ' ' LEU . . . . . . . . . . . . . 95.1 mt -77.77 134.91 37.95 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.001 0.429 . . . . 0.56999999999999995 110.279 -179.456 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 110' ' ' ALA . . . . . . . . . . . . . . . -72.77 -14.43 61.54 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.895 0.702 . . . . 0.66000000000000003 112.895 -171.257 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 111' ' ' TYR . . . . . . . . . . . . . 8.9 p90 -74.77 -5.84 45.61 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 120.821 0.343 . . . . 1.25 111.385 -175.754 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 112' ' ' LEU . . . . . . . . . . . . . 90.9 mt -85.85 -8.11 58.29 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.814 0.34 . . . . 1.54 110.975 177.043 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 113' ' ' GLY . . . . . . . . . . . . . . . 93.77 67.73 1.06 Allowed Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.651 -0.785 . . . . 1.9399999999999999 111.754 -178.61 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 114' ' ' ALA . . . . . . . . . . . . . . . -74.86 144.31 43.46 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.71 0.29 . . . . 1.6200000000000001 110.837 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 115' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp -115.79 96.82 47.64 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 116.448 -0.342 . . . . 5.2699999999999996 111.369 -179.672 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 116' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -83.49 -17.69 6.2 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 123.035 2.49 . . . . 2.96 111.0 171.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 117' ' ' ARG . . . . . . . . . . . . . 50.9 mtm180 -145.1 -156.03 0.66 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.449 -1.251 . . . . 4.5 108.269 177.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 118' ' ' THR . . . . . . . . . . . . . 9.0 m -79.75 -40.13 29.48 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.325 0.583 . . . . 6.2999999999999998 110.052 174.513 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 119' ' ' ASN . . . . . . . . . . . . . 51.7 t30 -140.08 148.64 42.03 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.782 -0.645 . . . . 6.9100000000000001 110.201 -179.033 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 120' ' ' VAL . . . . . . . . . . . . . 48.4 t -106.09 -28.64 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.291 -0.413 . . . . 8.8900000000000006 110.466 -179.141 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 121' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 . . . . . 0 C--O 1.249 1.071 0 CA-C-N 115.571 -0.741 . . . . 11.5 110.584 -178.099 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' S' S ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.905 0 N-CA-C 111.901 -0.48 . . . . 11.029999999999999 111.901 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' S' S ' 26' ' ' ALA . . . . . . . . . . . . . . . -83.14 -7.69 59.6 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 111.977 0.362 . . . . 9.4600000000000009 111.977 -175.414 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 27' ' ' MET . . . . . . . . . . . . . 52.3 ttm -143.6 -51.18 0.33 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.178 0.513 . . . . 9.9100000000000001 110.605 177.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 28' ' ' GLY . . . . . . . . . . . . . . . -87.25 51.95 4.28 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.88 -0.676 . . . . 5.7699999999999996 112.355 -177.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 29' ' ' SER . . . . . . . . . . . . . 45.6 p -88.85 -16.84 31.0 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.242 0.544 . . . . 4.4500000000000002 110.38 177.124 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 30' ' ' ARG . . . . . . . . . . . . . 10.5 mmm180 -100.02 95.44 6.85 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.884 -0.598 . . . . 7.0300000000000002 110.443 179.12 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 31' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -79.53 -2.46 42.36 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.792 0.806 . . . . 3.3900000000000001 108.868 174.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -65.21 -12.04 47.08 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 114.479 -1.237 . . . . 1.26 111.755 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 33' ' ' MET . . . . . 0.611 ' HB3' ' HB3' ' S' ' 111' ' ' TYR . 46.7 mtm -62.49 -27.49 69.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 1.3899999999999999 110.608 -179.69 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 34' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -100.99 4.49 42.49 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.942 -0.572 . . . . 0.96999999999999997 111.756 -174.113 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 35' ' ' THR . . . . . 0.505 ' O ' ' HA ' ' S' ' 82' ' ' THR . 15.7 p -124.77 -9.01 7.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.082 0.467 . . . . 0.55000000000000004 110.872 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 36' ' ' LYS . . . . . . . . . . . . . 74.3 tttt -98.66 113.87 26.11 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.69 -0.686 . . . . 1.95 109.917 179.189 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 37' ' ' ILE . . . . . 0.496 HD11 ' HA ' ' S' ' 89' ' ' ALA . 41.8 mt -108.0 143.09 19.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 115.804 -0.635 . . . . 0.40999999999999998 111.296 -175.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 38' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -102.84 122.94 45.54 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.3 -0.629 . . . . 0.45000000000000001 109.3 176.364 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 39' ' ' VAL . . . . . 0.633 HG13 HG22 ' S' ' 107' ' ' VAL . 38.6 t -120.74 103.79 14.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.533 -0.303 . . . . 0.20000000000000001 110.496 -179.363 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 40' ' ' GLY . . . . . . . . . . . . . . . -108.02 151.98 16.97 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.399 -0.905 . . . . 0.27000000000000002 112.067 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 41' ' ' GLY . . . . . . . . . . . . . . . 104.28 37.14 2.94 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.576 -0.821 . . . . 0.48999999999999999 111.863 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 42' ' ' LEU . . . . . 0.523 HD11 HD13 ' S' ' 51' ' ' LEU . 88.0 mt -105.9 130.07 23.6 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-O 120.643 0.258 . . . . 0.59999999999999998 111.052 -177.722 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 43' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -56.12 162.81 6.89 Favored 'Trans proline' 0 CA--C 1.532 0.417 0 C-N-CA 123.164 2.576 . . . . 0.55000000000000004 112.58 175.746 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 44' ' ' TYR . . . . . 0.693 ' HA ' ' HB3' ' S' ' 75' ' ' SER . 29.0 m-85 -62.87 -30.92 71.88 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.752 -0.658 . . . . 2.4100000000000001 112.056 -173.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 45' ' ' HIS . . . . . . . . . . . . . 3.7 p80 -94.17 12.11 27.75 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.194 0.521 . . . . 2.3100000000000001 111.395 -176.265 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 46' ' ' THR . . . . . . . . . . . . . 87.0 m -85.47 109.88 18.78 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.15 -0.685 . . . . 0.53000000000000003 109.15 175.513 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 47' ' ' SER . . . . . . . . . . . . . 13.9 m -102.18 -176.63 3.17 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.189 -0.46 . . . . 0.68000000000000005 111.018 -173.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 48' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -54.12 -44.75 71.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.667 -0.697 . . . . 1.29 110.361 177.154 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 49' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -58.71 -40.35 83.46 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.619 -0.719 . . . . 2.5 111.522 179.242 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 50' ' ' THR . . . . . . . . . . . . . 3.0 m -66.61 -48.35 69.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.832 0.349 . . . . 0.42999999999999999 110.568 -178.196 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 51' ' ' LEU . . . . . 0.523 HD13 HD11 ' S' ' 42' ' ' LEU . 32.6 tp -62.2 -47.57 83.87 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-O 121.217 0.532 . . . . 0.46000000000000002 110.504 178.518 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 52' ' ' HIS . . . . . . . . . . . . . 16.9 t-80 -60.22 -51.33 70.03 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.652 -0.703 . . . . 0.55000000000000004 111.506 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 53' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -55.21 -49.84 70.94 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.597 0.237 . . . . 2.2400000000000002 111.605 -176.2 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 54' ' ' TYR . . . . . . . . . . . . . 92.2 t80 -63.88 -41.77 97.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.492 -0.322 . . . . 0.55000000000000004 111.613 -176.548 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 55' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -85.36 -22.2 28.54 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 112.537 0.569 . . . . 0.5 112.537 -173.792 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 56' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -68.81 -17.67 64.05 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.199 0.523 . . . . 1.47 109.89 178.267 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 57' ' ' GLN . . . . . . . . . . . . . 35.6 tp60 -58.8 -33.63 70.58 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.724 -0.671 . . . . 2.98 110.355 172.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 58' ' ' PHE . . . . . 0.411 ' HB3' ' CB ' ' S' ' 91' ' ' ARG . 52.4 m-85 -85.62 -29.97 23.64 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.173 -0.467 . . . . 0.65000000000000002 110.665 -177.438 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 59' ' ' GLY . . . . . . . . . . . . . . . 172.55 165.85 30.22 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.994 -0.622 . . . . 0.44 112.749 178.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 60' ' ' ASP . . . . . 0.677 ' HB3' ' HD3' ' S' ' 84' ' ' LYS . 26.1 t70 -56.95 139.71 51.04 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.21 0.528 . . . . 1.99 111.548 178.425 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 61' ' ' ILE . . . . . 0.725 HG21 ' HB2' ' S' ' 64' ' ' ALA . 57.8 mt -118.21 145.44 24.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.593 -0.731 . . . . 0.42999999999999999 110.394 -176.298 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 62' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -92.84 -53.84 4.0 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.991 0.424 . . . . 1.9099999999999999 110.393 177.336 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 63' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -136.4 118.34 15.26 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.997 -0.547 . . . . 1.8100000000000001 110.021 179.185 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 64' ' ' ALA . . . . . 0.725 ' HB2' HG21 ' S' ' 61' ' ' ILE . . . -135.74 100.49 4.48 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 110.001 -0.37 . . . . 0.38 110.001 177.457 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 65' ' ' VAL . . . . . . . . . . . . . 30.8 m -133.02 138.96 50.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 121.003 0.43 . . . . 0.35999999999999999 110.912 -178.004 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 66' ' ' VAL . . . . . . . . . . . . . 61.7 t -88.64 122.9 40.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 108.356 -0.979 . . . . 0.29999999999999999 108.356 173.446 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 67' ' ' ILE . . . . . . . . . . . . . 47.3 mm -68.24 131.34 33.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 120.924 0.392 . . . . 0.46999999999999997 110.575 -172.028 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 68' ' ' THR . . . . . . . . . . . . . 21.5 p -104.32 150.8 24.14 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.842 -0.617 . . . . 0.78000000000000003 111.283 -176.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 69' ' ' ASP . . . . . 0.472 ' O ' ' HA ' ' S' ' 73' ' ' GLN . 24.1 t70 -73.62 140.11 45.95 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.535 -0.757 . . . . 1.75 109.714 175.792 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 70' ' ' ARG . . . . . . . . . . . . . 28.3 mmm180 -76.59 -21.71 55.21 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 112.183 0.438 . . . . 4.0199999999999996 112.183 -174.303 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 71' ' ' ASN . . . . . . . . . . . . . 22.7 m120 -94.81 -50.72 5.01 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 111.877 0.325 . . . . 2.6400000000000001 111.877 -175.359 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 72' ' ' THR . . . . . . . . . . . . . 50.1 p -92.36 -22.68 19.55 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.455 -0.338 . . . . 1.8400000000000001 111.331 -178.674 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 73' ' ' GLN . . . . . 0.472 ' HA ' ' O ' ' S' ' 69' ' ' ASP . 13.7 mm-40 65.42 31.04 10.61 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.039 -0.528 . . . . 2.3500000000000001 111.933 -178.339 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 74' ' ' LYS . . . . . . . . . . . . . 34.2 mttp -103.12 173.73 6.17 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.009 -0.541 . . . . 2.77 109.79 170.526 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 75' ' ' SER . . . . . 0.693 ' HB3' ' HA ' ' S' ' 44' ' ' TYR . 41.4 t -65.84 140.82 58.41 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.043 0.449 . . . . 1.51 111.256 -178.633 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 76' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -70.95 -20.95 62.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.611 -0.722 . . . . 2.54 109.959 172.547 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 77' ' ' GLY . . . . . 0.463 ' HA2' ' O ' ' S' ' 42' ' ' LEU . . . 104.38 11.82 30.43 Favored Glycine 0 N--CA 1.444 -0.828 0 C-N-CA 120.699 -0.763 . . . . 0.53000000000000003 111.898 -177.647 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 78' ' ' TYR . . . . . . . . . . . . . 29.7 p90 -157.92 158.11 34.38 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 120.741 0.305 . . . . 0.59999999999999998 110.714 178.184 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 79' ' ' GLY . . . . . . . . . . . . . . . -139.0 165.78 25.57 Favored Glycine 0 N--CA 1.45 -0.369 0 CA-C-N 116.144 -0.48 . . . . 0.17000000000000001 111.978 178.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 80' ' ' PHE . . . . . 0.599 ' HZ ' ' HB3' ' S' ' 116' ' ' PRO . 63.9 m-85 -114.43 136.07 53.41 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.666 0.269 . . . . 0.39000000000000001 110.625 177.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 81' ' ' VAL . . . . . . . . . . . . . 25.9 t -124.81 113.73 37.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.292 -0.413 . . . . 0.23999999999999999 110.541 177.615 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 82' ' ' THR . . . . . 0.505 ' HA ' ' O ' ' S' ' 35' ' ' THR . 11.2 m -109.5 109.27 20.03 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.844 -0.799 . . . . 0.29999999999999999 108.844 176.081 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 83' ' ' MET . . . . . 0.544 ' HA ' ' HA ' ' S' ' 61' ' ' ILE . 5.1 mtp -94.62 172.29 8.27 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.354 -0.384 . . . . 0.71999999999999997 110.605 -170.862 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 84' ' ' LYS . . . . . 0.677 ' HD3' ' HB3' ' S' ' 60' ' ' ASP . 22.2 pttm -66.0 -36.94 84.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.261 -0.427 . . . . 2.21 111.701 -177.478 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 85' ' ' ASP . . . . . 0.467 ' HB3' ' HG3' ' S' ' 84' ' ' LYS . 0.0 OUTLIER -144.25 164.04 31.9 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.019 0.438 . . . . 1.8500000000000001 111.208 -172.631 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' S' S ' 86' ' ' ARG . . . . . 0.433 ' O ' ' HG3' ' S' ' 90' ' ' GLU . 67.5 mtm180 -72.31 -30.31 64.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.866 -0.606 . . . . 3.96 112.231 -175.469 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.85 -39.9 83.75 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.047 0.451 . . . . 0.62 110.005 -179.674 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 88' ' ' SER . . . . . . . . . . . . . 15.3 m -61.85 -38.24 87.49 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.75 -0.659 . . . . 0.88 109.69 174.181 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 89' ' ' ALA . . . . . 0.496 ' HA ' HD11 ' S' ' 37' ' ' ILE . . . -65.99 -38.91 89.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.621 -0.718 . . . . 0.34999999999999998 111.384 -179.039 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 90' ' ' GLU . . . . . 0.58 ' HA ' ' SG ' ' S' ' 93' ' ' CYS . 44.0 mt-10 -70.01 -31.54 69.26 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.431 -0.35 . . . . 1.8500000000000001 110.761 178.086 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 91' ' ' ARG . . . . . 0.411 ' CB ' ' HB3' ' S' ' 58' ' ' PHE . 86.3 mtt180 -62.2 -33.73 75.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.936 0.398 . . . . 2.9199999999999999 110.26 172.466 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 92' ' ' ALA . . . . . . . . . . . . . . . -76.0 -39.77 55.09 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.811 -0.632 . . . . 0.46999999999999997 111.409 -177.391 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 93' ' ' CYS . . . . . 0.58 ' SG ' ' HA ' ' S' ' 90' ' ' GLU . 12.3 p -94.69 8.85 41.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.983 0.42 . . . . 1.3500000000000001 110.9 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 94' ' ' LYS . . . . . . . . . . . . . 4.4 tptm -58.03 -36.86 73.33 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.862 -0.608 . . . . 2.9500000000000002 110.487 175.355 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 95' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -109.53 105.25 56.96 Favored Pre-proline 0 C--N 1.324 -0.529 0 N-CA-C 108.497 -0.927 . . . . 2.1299999999999999 108.497 173.422 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 96' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -66.37 -18.01 54.6 Favored 'Trans proline' 0 N--CA 1.463 -0.286 0 C-N-CA 122.575 2.184 . . . . 0.76000000000000001 112.342 -177.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 97' ' ' ASN . . . . . 0.531 ' HA ' ' O ' ' S' ' 105' ' ' ALA . 0.8 OUTLIER -133.34 70.76 77.03 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.241 -0.436 . . . . 1.0800000000000001 110.607 -178.367 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' S' S ' 98' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -78.43 154.26 27.77 Favored 'Trans proline' 0 N--CA 1.461 -0.422 0 C-N-CA 122.992 2.462 . . . . 0.53000000000000003 112.329 -178.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 99' ' ' ILE . . . . . . . . . . . . . 34.5 mm -95.71 95.9 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.008 -0.542 . . . . 0.51000000000000001 110.139 178.14 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 100' ' ' ILE . . . . . . . . . . . . . 57.6 mt -106.54 114.71 46.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 116.063 -0.517 . . . . 0.56999999999999995 110.382 -177.429 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 101' ' ' ASP . . . . . . . . . . . . . 32.6 t70 65.92 15.79 10.2 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 121.864 0.84 . . . . 1.3999999999999999 110.605 177.491 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 102' ' ' GLY . . . . . . . . . . . . . . . 94.93 4.6 61.5 Favored Glycine 0 N--CA 1.447 -0.578 0 CA-C-N 115.653 -0.703 . . . . 0.81999999999999995 112.231 -178.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 103' ' ' ARG . . . . . 0.448 ' HD2' ' HA ' ' S' ' 103' ' ' ARG . 18.1 tpt180 -113.78 136.09 53.23 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 110.117 -0.327 . . . . 3.1099999999999999 110.117 178.316 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 104' ' ' LYS . . . . . 0.509 ' HD3' ' OD1' ' S' ' 97' ' ' ASN . 39.4 ttmt -75.0 121.93 22.74 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.645 -0.502 . . . . 1.98 109.645 175.295 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 105' ' ' ALA . . . . . 0.531 ' O ' ' HA ' ' S' ' 97' ' ' ASN . . . -109.16 165.13 11.84 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.103 -0.499 . . . . 0.33000000000000002 111.195 -178.396 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 106' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -116.54 110.15 18.19 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.803 -0.635 . . . . 1.99 109.421 175.224 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 107' ' ' VAL . . . . . 0.633 HG22 HG13 ' S' ' 39' ' ' VAL . 61.9 t -107.08 127.4 62.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.071 -0.513 . . . . 0.33000000000000002 110.308 -178.241 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 108' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -150.8 148.88 29.04 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.138 -0.483 . . . . 1.76 109.868 -178.402 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 109' ' ' LEU . . . . . 0.414 HD23 HG12 ' S' ' 37' ' ' ILE . 95.6 mt -66.95 137.79 56.79 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 110.214 -0.291 . . . . 0.56999999999999995 110.214 178.508 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 110' ' ' ALA . . . . . . . . . . . . . . . -58.68 -37.11 75.34 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.755 0.65 . . . . 0.66000000000000003 112.755 -172.007 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 111' ' ' TYR . . . . . 0.611 ' HB3' ' HB3' ' S' ' 33' ' ' MET . 8.4 p90 -74.03 -5.86 44.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.675 0.274 . . . . 1.25 111.55 -173.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 112' ' ' LEU . . . . . . . . . . . . . 86.4 mt -91.88 -12.83 32.48 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 121.205 -0.198 . . . . 1.54 111.507 -178.571 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 113' ' ' GLY . . . . . . . . . . . . . . . 144.14 58.3 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.094 -1.05 . . . . 1.9399999999999999 113.122 177.17 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 114' ' ' ALA . . . . . . . . . . . . . . . -111.98 119.7 39.38 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 122.609 -0.348 . . . . 1.6200000000000001 110.535 177.712 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 115' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -109.92 103.81 54.19 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 116.424 -0.353 . . . . 5.2699999999999996 110.163 177.546 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 116' ' ' PRO . . . . . 0.599 ' HB3' ' HZ ' ' S' ' 80' ' ' PHE . 65.2 Cg_endo -76.13 139.47 21.5 Favored 'Trans proline' 0 N--CA 1.459 -0.539 0 C-N-CA 122.153 1.902 . . . . 2.96 111.662 176.104 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 117' ' ' ARG . . . . . . . . . . . . . 85.5 mtt180 -88.14 36.52 0.78 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.39 0.614 . . . . 4.5 110.927 -179.511 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 118' ' ' THR . . . . . . . . . . . . . 30.1 p -83.16 128.52 34.56 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.631 -0.713 . . . . 6.2999999999999998 109.599 176.507 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 119' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -111.43 141.59 44.79 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.7 0.286 . . . . 6.9100000000000001 111.605 -173.274 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 120' ' ' VAL . . . . . 0.451 ' O ' ' HB2' ' S' ' 121' ' ' GLN . 8.8 t 66.61 39.66 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 CA-C-N 115.269 -0.878 . . . . 8.8900000000000006 112.051 173.846 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 121' ' ' GLN . . . . . 0.451 ' HB2' ' O ' ' S' ' 120' ' ' VAL . 1.5 tp-100 . . . . . 0 C--O 1.251 1.152 0 CA-C-O 118.945 -0.55 . . . . 11.5 110.008 171.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 63.2 mtm . . . . . 0 C--O 1.231 0.089 0 CA-C-O 121.051 0.453 . . . . 1.39 111.119 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' S' S ' 34' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -104.91 4.67 32.18 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.27 -0.423 . . . . 0.97 110.835 -178.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 35' ' ' THR . . . . . 0.441 ' O ' ' HA ' ' S' ' 82' ' ' THR . 43.5 p -124.06 -6.18 7.83 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.925 0.393 . . . . 0.55 110.693 -179.5 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 36' ' ' LYS . . . . . . . . . . . . . 45.9 tptt -88.98 97.23 11.08 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 115.767 -0.651 . . . . 1.95 110.233 -176.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 37' ' ' ILE . . . . . 0.406 HD11 ' HA ' ' S' ' 89' ' ' ALA . 64.8 mt -85.71 127.25 40.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 116.114 -0.493 . . . . 0.41 111.004 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 38' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -96.81 117.82 31.9 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.714 -0.676 . . . . 0.45 109.548 175.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 39' ' ' VAL . . . . . . . . . . . . . 21.5 t -112.88 101.39 12.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.32 -0.4 . . . . 0.2 110.197 179.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 40' ' ' GLY . . . . . . . . . . . . . . . -101.68 152.56 18.72 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.886 -0.673 . . . . 0.27 112.317 -179.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 41' ' ' GLY . . . . . . . . . . . . . . . 95.06 33.45 6.59 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.812 -0.709 . . . . 0.49 111.931 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 42' ' ' LEU . . . . . 0.437 ' O ' ' HA2' ' S' ' 77' ' ' GLY . 68.8 mt -100.13 132.9 21.99 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-O 120.752 0.31 . . . . 0.6 110.88 -178.072 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 43' ' ' PRO . . . . . 0.441 ' HD2' ' OG1' ' S' ' 46' ' ' THR . 31.4 Cg_exo -61.4 165.06 13.78 Favored 'Trans proline' 0 CA--C 1.532 0.381 0 C-N-CA 122.951 2.434 . . . . 0.55 112.472 176.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 44' ' ' TYR . . . . . 0.676 ' HA ' ' HB2' ' S' ' 75' ' ' SER . 8.7 m-85 -78.27 -0.5 28.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.861 -0.609 . . . . 2.41 111.878 -170.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 45' ' ' HIS . . . . . . . . . . . . . 7.3 p80 -114.78 0.65 13.89 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.946 0.403 . . . . 2.31 110.707 -179.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 46' ' ' THR . . . . . 0.441 ' OG1' ' HD2' ' S' ' 43' ' ' PRO . 55.2 m -77.54 118.1 19.63 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 109.361 -0.607 . . . . 0.53 109.361 178.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 47' ' ' SER . . . . . 0.54 ' HB2' ' HG2' ' S' ' 49' ' ' LYS . 5.6 m -97.49 174.57 6.6 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.084 0.469 . . . . 0.68 111.281 -174.227 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 48' ' ' ASP . . . . . 0.487 ' HB2' ' O ' ' S' ' 64' ' ' ALA . 17.9 p-10 -58.57 -42.71 88.62 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.172 -0.922 . . . . 1.29 109.943 175.609 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 49' ' ' LYS . . . . . 0.54 ' HG2' ' HB2' ' S' ' 47' ' ' SER . 23.5 pttm -62.86 -34.4 77.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.644 -0.707 . . . . 2.5 111.337 178.628 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 50' ' ' THR . . . . . . . . . . . . . 4.7 m -67.37 -47.11 71.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.178 0.513 . . . . 0.43 109.794 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 51' ' ' LEU . . . . . . . . . . . . . 15.8 tp -66.19 -40.04 90.13 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.421 -0.809 . . . . 0.46 110.219 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 52' ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -61.32 -51.14 70.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.571 -0.74 . . . . 0.55 110.815 178.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 53' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -50.32 -42.7 53.11 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.656 -0.702 . . . . 2.24 111.451 179.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 54' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -74.05 -42.31 60.44 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.122 0.416 . . . . 0.55 112.122 -176.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 55' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -85.67 -20.89 28.73 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 113.636 0.976 . . . . 0.5 113.636 -170.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 56' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -64.89 -15.97 62.66 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 120.619 -0.432 . . . . 1.47 110.913 -179.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 57' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -59.87 -25.38 65.01 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 115.857 -0.611 . . . . 2.98 110.865 174.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 58' ' ' PHE . . . . . 0.403 ' O ' ' HD3' ' S' ' 91' ' ' ARG . 82.6 m-85 -96.85 -15.37 21.28 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.037 0.384 . . . . 0.65 112.037 -173.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 59' ' ' GLY . . . . . . . . . . . . . . . 155.09 -173.24 33.39 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.305 -0.95 . . . . 0.44 113.057 178.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 60' ' ' ASP . . . . . 0.702 ' HB2' ' HG2' ' S' ' 84' ' ' LYS . 2.0 m-20 -65.78 128.84 37.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.801 0.334 . . . . 1.99 110.442 -179.058 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 61' ' ' ILE . . . . . 0.584 HG21 ' HB2' ' S' ' 64' ' ' ALA . 58.3 mt -102.17 121.93 53.8 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 CA-C-N 116.036 -0.529 . . . . 0.43 110.35 177.251 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 62' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -73.01 -52.87 12.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.553 0.692 . . . . 1.91 109.574 176.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.81 137.88 33.64 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.873 -1.058 . . . . 1.81 109.75 -176.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 64' ' ' ALA . . . . . 0.584 ' HB2' HG21 ' S' ' 61' ' ' ILE . . . -146.31 103.98 3.75 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 110.031 -0.359 . . . . 0.38 110.031 177.244 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 65' ' ' VAL . . . . . . . . . . . . . 33.3 m -137.64 137.91 44.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.233 0.54 . . . . 0.36 111.277 -179.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 66' ' ' VAL . . . . . 0.426 ' HA ' ' HA2' ' S' ' 79' ' ' GLY . 73.5 t -93.63 118.12 38.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 107.974 -1.121 . . . . 0.3 107.974 169.013 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 67' ' ' ILE . . . . . . . . . . . . . 49.4 mm -68.54 119.22 13.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.085 0.469 . . . . 0.47 110.902 -171.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 68' ' ' THR . . . . . . . . . . . . . 68.8 p -99.26 147.91 24.68 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.508 -0.769 . . . . 0.78 110.78 -178.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 69' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -65.66 126.0 27.03 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.419 -0.956 . . . . 1.75 108.419 171.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 70' ' ' ARG . . . . . . . . . . . . . 16.7 mmm180 -75.02 -10.43 59.47 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 113.327 0.862 . . . . 4.02 113.327 -171.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 71' ' ' ASN . . . . . 0.609 HD22 HG23 ' S' ' 72' ' ' THR . 8.1 t30 -95.1 -49.3 5.58 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.566 -0.454 . . . . 2.64 110.582 177.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 72' ' ' THR . . . . . 0.609 HG23 HD22 ' S' ' 71' ' ' ASN . 32.2 p -97.52 -15.99 20.3 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 112.16 0.429 . . . . 1.84 112.16 -174.436 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 73' ' ' GLN . . . . . 0.415 ' HA ' ' NE2' ' S' ' 73' ' ' GLN . 11.3 mm-40 62.19 36.92 14.66 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.039 -0.528 . . . . 2.35 112.416 179.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 74' ' ' LYS . . . . . . . . . . . . . 22.5 pttm -108.0 146.64 32.21 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.348 -0.612 . . . . 2.77 109.348 172.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 75' ' ' SER . . . . . 0.676 ' HB2' ' HA ' ' S' ' 44' ' ' TYR . 16.5 m -60.77 136.62 58.13 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 123.079 0.237 . . . . 1.51 110.366 177.67 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 76' ' ' ARG . . . . . . . . . . . . . 58.1 mtp180 -82.96 6.0 20.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.818 0.342 . . . . 2.54 111.08 -177.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 77' ' ' GLY . . . . . 0.437 ' HA2' ' O ' ' S' ' 42' ' ' LEU . . . 99.76 12.45 40.6 Favored Glycine 0 C--N 1.331 0.251 0 C-N-CA 121.028 -0.606 . . . . 0.53 113.582 173.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 78' ' ' TYR . . . . . . . . . . . . . 41.9 p90 -157.85 158.55 35.35 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.929 0.364 . . . . 0.6 110.934 -179.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 79' ' ' GLY . . . . . 0.426 ' HA2' ' HA ' ' S' ' 66' ' ' VAL . . . -139.42 162.4 26.12 Favored Glycine 0 N--CA 1.445 -0.71 0 N-CA-C 111.172 -0.771 . . . . 0.17 111.172 175.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 80' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -120.85 136.69 54.86 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.887 0.344 . . . . 0.39 110.97 -179.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 81' ' ' VAL . . . . . . . . . . . . . 46.9 t -124.51 115.86 45.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.911 -0.586 . . . . 0.24 110.359 177.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 82' ' ' THR . . . . . 0.441 ' HA ' ' O ' ' S' ' 35' ' ' THR . 28.1 m -96.65 108.72 21.39 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 109.773 -0.454 . . . . 0.3 109.773 176.23 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 83' ' ' MET . . . . . 0.623 ' HG3' ' HA ' ' S' ' 89' ' ' ALA . 91.6 mmm -80.79 161.58 24.43 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.353 -0.385 . . . . 0.72 110.379 -179.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 84' ' ' LYS . . . . . 0.702 ' HG2' ' HB2' ' S' ' 60' ' ' ASP . 0.0 OUTLIER -68.71 -21.37 64.41 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.828 0.307 . . . . 2.21 111.828 -178.366 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' S' S ' 85' ' ' ASP . . . . . 0.462 ' CB ' ' HD2' ' S' ' 84' ' ' LYS . 23.4 t70 -156.5 162.06 39.98 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.411 -0.359 . . . . 1.85 110.41 -178.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 86' ' ' ARG . . . . . 0.615 ' CD ' ' H ' ' S' ' 86' ' ' ARG . 0.0 OUTLIER -67.68 -29.52 68.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.015 -0.539 . . . . 3.96 111.671 -178.65 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' S' S ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.75 -38.66 87.06 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.251 0.548 . . . . 0.62 110.27 178.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 88' ' ' SER . . . . . . . . . . . . . 4.3 m -69.58 -40.33 76.78 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.677 -0.692 . . . . 0.88 110.311 175.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 89' ' ' ALA . . . . . 0.623 ' HA ' ' HG3' ' S' ' 83' ' ' MET . . . -60.31 -48.58 81.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.747 -0.66 . . . . 0.35 111.334 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 90' ' ' GLU . . . . . 0.571 ' O ' ' HG2' ' S' ' 94' ' ' LYS . 4.1 pt-20 -72.18 -21.73 61.39 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.628 -0.429 . . . . 1.85 111.028 -179.264 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 91' ' ' ARG . . . . . 0.403 ' HD3' ' O ' ' S' ' 58' ' ' PHE . 76.4 ttt180 -63.8 -37.88 89.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.102 0.477 . . . . 2.92 109.788 174.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 92' ' ' ALA . . . . . . . . . . . . . . . -77.2 -27.11 53.41 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.831 -0.622 . . . . 0.47 110.186 176.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 93' ' ' CYS . . . . . . . . . . . . . 17.8 t -83.78 -2.82 57.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.754 -0.657 . . . . 1.35 110.629 -179.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 94' ' ' LYS . . . . . 0.571 ' HG2' ' O ' ' S' ' 90' ' ' GLU . 37.7 mmtm -60.94 -31.1 70.66 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.204 -0.453 . . . . 2.95 110.809 175.442 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 95' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -115.46 95.02 41.85 Favored Pre-proline 0 C--N 1.329 -0.32 0 N-CA-C 109.33 -0.619 . . . . 2.13 109.33 175.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 96' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -65.27 -32.64 50.93 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.851 2.368 . . . . 0.76 113.45 -171.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 97' ' ' ASN . . . . . 0.426 ' HA ' ' O ' ' S' ' 105' ' ' ALA . 10.4 m120 -126.82 83.91 64.36 Favored Pre-proline 0 C--N 1.321 -0.635 0 CA-C-O 120.804 0.335 . . . . 1.08 111.276 -177.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 98' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -88.65 157.87 6.33 Favored 'Trans proline' 0 N--CA 1.452 -0.953 0 C-N-CA 122.656 2.237 . . . . 0.53 111.896 176.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 99' ' ' ILE . . . . . . . . . . . . . 49.8 mm -95.95 100.71 11.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-O 121.145 0.498 . . . . 0.51 110.18 179.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 100' ' ' ILE . . . . . . . . . . . . . 54.9 mt -108.76 119.74 58.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.677 -0.692 . . . . 0.57 109.813 -179.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 101' ' ' ASP . . . . . 0.441 ' OD2' ' HG2' ' S' ' 43' ' ' PRO . 39.1 t70 67.17 16.03 10.15 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 121.998 0.904 . . . . 1.4 110.23 177.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 102' ' ' GLY . . . . . . . . . . . . . . . 89.08 6.15 72.12 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.734 -0.746 . . . . 0.82 111.672 -177.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 103' ' ' ARG . . . . . . . . . . . . . 6.5 tpp180 -107.02 136.17 47.34 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.68 -0.489 . . . . 3.11 109.68 -179.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 104' ' ' LYS . . . . . . . . . . . . . 58.1 tttm -76.41 97.69 4.35 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.295 -0.632 . . . . 1.98 109.295 177.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 105' ' ' ALA . . . . . 0.426 ' O ' ' HA ' ' S' ' 97' ' ' ASN . . . -87.43 164.08 16.39 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.095 -0.502 . . . . 0.33 111.363 -173.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 106' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -121.07 110.64 16.48 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.952 -0.567 . . . . 1.99 109.754 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 107' ' ' VAL . . . . . . . . . . . . . 76.7 t -107.48 125.68 63.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.209 -0.45 . . . . 0.33 110.417 -178.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 108' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -169.52 148.12 3.7 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.179 -0.464 . . . . 1.76 109.978 -178.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 109' ' ' LEU . . . . . . . . . . . . . 95.4 mt -62.9 132.98 53.92 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.844 0.354 . . . . 0.57 110.955 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.59 -29.75 68.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.077 -0.51 . . . . 0.66 111.965 -176.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 111' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.444 0 CA-C-N 116.605 -0.27 . . . . 1.25 110.821 -178.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 15.4 tpt . . . . . 0 N--CA 1.455 -0.217 0 CA-C-O 120.743 0.306 . . . . 1.39 111.223 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' S' S ' 34' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -109.04 16.76 22.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.956 0.408 . . . . 0.97 110.868 -177.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 35' ' ' THR . . . . . 0.516 ' O ' ' HA ' ' S' ' 82' ' ' THR . 14.8 p -117.28 -3.95 11.42 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.14 -0.482 . . . . 0.55 110.72 -177.008 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 36' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -94.92 104.18 16.06 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.73 -0.668 . . . . 1.95 110.917 -174.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 37' ' ' ILE . . . . . 0.478 ' CG2' HG13 ' S' ' 107' ' ' VAL . 70.9 mt -93.42 136.82 24.11 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 115.232 -0.895 . . . . 0.41 110.885 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 38' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -101.12 122.86 44.35 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.047 -0.524 . . . . 0.45 109.601 175.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 39' ' ' VAL . . . . . 0.461 HG21 HD11 ' S' ' 51' ' ' LEU . 22.0 t -119.21 105.93 18.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 110.115 -0.328 . . . . 0.2 110.115 178.21 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 40' ' ' GLY . . . . . . . . . . . . . . . -104.57 152.88 17.52 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.607 -0.806 . . . . 0.27 112.592 -178.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 41' ' ' GLY . . . . . . . . . . . . . . . 99.6 33.12 5.45 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.949 -0.643 . . . . 0.49 112.338 178.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 42' ' ' LEU . . . . . 0.597 ' O ' ' HA2' ' S' ' 77' ' ' GLY . 83.0 mt -103.66 133.79 20.09 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-O 120.995 0.426 . . . . 0.6 111.561 -176.16 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 43' ' ' PRO . . . . . 0.694 ' HG3' ' HG3' ' S' ' 103' ' ' ARG . 22.7 Cg_exo -65.12 173.81 5.62 Favored 'Trans proline' 0 CA--C 1.532 0.388 0 C-N-CA 123.022 2.481 . . . . 0.55 112.671 176.647 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 44' ' ' TYR . . . . . 0.446 ' HA ' ' HB2' ' S' ' 75' ' ' SER . 7.1 m-85 -78.6 -8.51 58.69 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.129 -0.487 . . . . 2.41 111.756 -172.539 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 45' ' ' HIS . . . . . . . . . . . . . 27.0 p80 -101.73 -4.97 25.54 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.898 -0.321 . . . . 2.31 110.717 -178.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 46' ' ' THR . . . . . 0.501 ' OG1' ' HD2' ' S' ' 43' ' ' PRO . 89.0 m -73.07 113.17 9.81 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-O 121.064 0.459 . . . . 0.53 109.865 179.516 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 47' ' ' SER . . . . . . . . . . . . . 14.0 m -104.43 -175.52 2.82 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.518 -0.764 . . . . 0.68 110.806 -174.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 48' ' ' ASP . . . . . . . . . . . . . 17.7 p-10 -63.66 -38.41 91.01 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.674 -0.694 . . . . 1.29 110.627 -179.039 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 49' ' ' LYS . . . . . 0.41 ' HG3' ' N ' ' S' ' 50' ' ' THR . 11.1 ptmt -64.33 -34.32 77.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 2.5 111.335 177.532 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 50' ' ' THR . . . . . 0.41 ' N ' ' HG3' ' S' ' 49' ' ' LYS . 1.0 OUTLIER -68.13 -54.32 18.86 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.016 0.436 . . . . 0.43 110.55 -175.923 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' S' S ' 51' ' ' LEU . . . . . 0.461 HD11 HG21 ' S' ' 39' ' ' VAL . 16.8 tp -59.98 -40.0 87.64 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.728 -0.669 . . . . 0.46 110.457 177.47 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 52' ' ' HIS . . . . . . . . . . . . . 49.3 t-80 -60.0 -52.76 64.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.6 -0.727 . . . . 0.55 111.058 179.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 53' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -57.03 -44.15 82.59 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.123 -0.49 . . . . 2.24 111.986 -175.323 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 54' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -68.51 -37.77 80.34 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.879 -0.329 . . . . 0.55 111.32 -176.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 55' ' ' PHE . . . . . 0.437 ' HA ' ' HD2' ' S' ' 58' ' ' PHE . 24.1 m-85 -83.62 -19.56 35.24 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.047 0.388 . . . . 0.5 112.047 -177.729 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 56' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -56.68 -24.32 48.11 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.228 0.537 . . . . 1.47 110.794 178.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 57' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -63.61 -24.72 67.91 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.599 0.714 . . . . 2.98 111.171 178.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 58' ' ' PHE . . . . . 0.461 ' O ' ' HD3' ' S' ' 91' ' ' ARG . 29.7 m-85 -105.31 0.6 27.21 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 115.02 -0.991 . . . . 0.65 111.679 -171.674 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 59' ' ' GLY . . . . . . . . . . . . . . . 140.83 -178.17 20.3 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.129 -1.034 . . . . 0.44 113.167 174.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 60' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -70.77 146.47 49.76 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 122.777 0.431 . . . . 1.99 110.908 179.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 61' ' ' ILE . . . . . 0.475 ' HA ' ' HA ' ' S' ' 83' ' ' MET . 74.4 mt -122.24 134.88 64.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.146 -0.479 . . . . 0.43 111.18 -175.582 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 62' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -78.07 -57.11 3.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.098 0.475 . . . . 1.91 110.564 176.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 63' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -152.57 116.66 4.89 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.955 -0.566 . . . . 1.81 110.331 -174.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 64' ' ' ALA . . . . . . . . . . . . . . . -124.65 104.05 8.47 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.445 -0.343 . . . . 0.38 110.426 178.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 65' ' ' VAL . . . . . . . . . . . . . 34.9 m -125.24 136.11 61.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.243 0.544 . . . . 0.36 111.283 -178.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 66' ' ' VAL . . . . . . . . . . . . . 59.7 t -89.58 118.57 35.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 N-CA-C 108.467 -0.938 . . . . 0.3 108.467 172.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 67' ' ' ILE . . . . . . . . . . . . . 49.2 mm -68.59 122.89 20.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.15 0.5 . . . . 0.47 110.974 -172.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 68' ' ' THR . . . . . . . . . . . . . 14.8 p -106.13 157.27 17.68 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.628 -0.715 . . . . 0.78 111.048 -178.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 69' ' ' ASP . . . . . 0.401 ' O ' ' HA ' ' S' ' 73' ' ' GLN . 23.7 t70 -79.71 148.61 31.48 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.827 -0.624 . . . . 1.75 109.353 175.514 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 70' ' ' ARG . . . . . . . . . . . . . 49.2 mtp180 -76.69 -33.46 58.24 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 120.776 -0.37 . . . . 4.02 111.47 -175.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 71' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -79.14 -48.92 13.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.255 0.55 . . . . 2.64 110.545 -175.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 72' ' ' THR . . . . . . . . . . . . . 34.6 p -91.56 -25.99 18.96 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.786 -0.643 . . . . 1.84 112.114 -175.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 73' ' ' GLN . . . . . 0.401 ' HA ' ' O ' ' S' ' 69' ' ' ASP . 14.4 mm-40 64.3 21.18 12.44 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 116.051 -0.522 . . . . 2.35 111.289 -176.705 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 74' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -101.67 153.92 19.34 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.036 -0.529 . . . . 2.77 110.031 174.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 75' ' ' SER . . . . . 0.446 ' HB2' ' HA ' ' S' ' 44' ' ' TYR . 10.5 m -59.19 137.48 57.95 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.028 -0.533 . . . . 1.51 110.886 -179.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 76' ' ' ARG . . . . . . . . . . . . . 63.6 mtp180 -81.21 7.45 11.24 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.382 -0.372 . . . . 2.54 111.0 -179.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 77' ' ' GLY . . . . . 0.597 ' HA2' ' O ' ' S' ' 42' ' ' LEU . . . 99.36 16.49 29.5 Favored Glycine 0 N--CA 1.451 -0.358 0 CA-C-N 115.995 -0.548 . . . . 0.53 113.352 174.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 78' ' ' TYR . . . . . . . . . . . . . 40.6 p90 -164.34 162.18 22.16 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.686 0.279 . . . . 0.6 110.7 -179.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 79' ' ' GLY . . . . . . . . . . . . . . . -143.61 164.78 27.33 Favored Glycine 0 N--CA 1.445 -0.706 0 N-CA-C 111.064 -0.814 . . . . 0.17 111.064 176.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 80' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -119.91 135.82 54.75 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.836 0.35 . . . . 0.39 110.994 -179.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 81' ' ' VAL . . . . . 0.458 ' HB ' ' HB ' ' S' ' 37' ' ' ILE . 19.1 t -118.2 111.58 34.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.047 -0.524 . . . . 0.24 110.459 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 82' ' ' THR . . . . . 0.516 ' HA ' ' O ' ' S' ' 35' ' ' THR . 31.1 m -97.65 103.37 15.3 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 108.36 -0.978 . . . . 0.3 108.36 172.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 83' ' ' MET . . . . . 0.566 ' SD ' ' HA ' ' S' ' 89' ' ' ALA . 57.1 mtp -86.78 168.57 13.37 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 120.925 -0.31 . . . . 0.72 110.572 -175.74 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.8 -53.04 57.93 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 123.857 0.723 . . . . 2.21 111.993 -178.052 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 85' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -136.3 161.89 34.52 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.27 -0.423 . . . . 1.85 110.064 -177.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 86' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -60.97 -32.95 72.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.455 -0.339 . . . . 3.96 110.822 178.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.25 -40.49 96.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.925 0.393 . . . . 0.62 110.289 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 88' ' ' SER . . . . . . . . . . . . . 2.3 m -64.95 -50.19 67.38 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.38 -0.6 . . . . 0.88 109.38 175.321 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 89' ' ' ALA . . . . . 0.566 ' HA ' ' SD ' ' S' ' 83' ' ' MET . . . -51.74 -50.28 60.91 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 114.993 -1.003 . . . . 0.35 112.342 177.674 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 90' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -69.01 -29.85 68.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.957 0.408 . . . . 1.85 110.955 -178.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 91' ' ' ARG . . . . . 0.461 ' HD3' ' O ' ' S' ' 58' ' ' PHE . 63.2 ttt180 -61.45 -26.83 68.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.97 -0.559 . . . . 2.92 109.791 174.405 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 92' ' ' ALA . . . . . . . . . . . . . . . -86.41 -32.32 20.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.865 -0.607 . . . . 0.47 110.497 174.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 93' ' ' CYS . . . . . . . . . . . . . 47.0 t -74.15 -4.68 37.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.697 -0.683 . . . . 1.35 111.57 -178.039 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 94' ' ' LYS . . . . . . . . . . . . . 27.5 mmtp -56.77 -40.95 76.77 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.59 -0.277 . . . . 2.95 111.085 174.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 95' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -103.73 100.58 20.2 Favored Pre-proline 0 C--N 1.328 -0.348 0 N-CA-C 109.899 -0.408 . . . . 2.13 109.899 176.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 96' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -68.99 -27.74 29.8 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.92 2.413 . . . . 0.76 113.129 -175.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 97' ' ' ASN . . . . . . . . . . . . . 21.6 m120 -129.17 92.32 39.52 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-O 120.98 0.419 . . . . 1.08 111.35 179.017 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 98' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -84.72 149.75 11.24 Favored 'Trans proline' 0 N--CA 1.452 -0.932 0 C-N-CA 123.101 2.534 . . . . 0.53 112.058 175.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 99' ' ' ILE . . . . . . . . . . . . . 49.5 mm -95.61 91.78 3.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 121.184 0.516 . . . . 0.51 109.769 177.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 100' ' ' ILE . . . . . . . . . . . . . 60.5 mt -101.67 118.67 48.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.92 -0.582 . . . . 0.57 110.159 -178.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 101' ' ' ASP . . . . . . . . . . . . . 37.6 t70 66.43 16.68 10.49 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 121.857 0.837 . . . . 1.4 110.39 -179.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 102' ' ' GLY . . . . . . . . . . . . . . . 86.75 -2.3 87.2 Favored Glycine 0 N--CA 1.45 -0.394 0 CA-C-N 115.729 -0.669 . . . . 0.82 111.62 -177.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 103' ' ' ARG . . . . . 0.694 ' HG3' ' HG3' ' S' ' 43' ' ' PRO . 18.9 mmt180 -93.6 139.09 31.17 Favored 'General case' 0 N--CA 1.444 -0.747 0 N-CA-C 109.511 -0.551 . . . . 3.11 109.511 -179.643 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 104' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -78.8 99.7 6.81 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.164 0.506 . . . . 1.98 110.07 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 105' ' ' ALA . . . . . . . . . . . . . . . -88.73 166.62 13.93 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.419 -0.81 . . . . 0.33 110.285 -178.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 106' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -133.49 123.7 25.7 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.176 -0.466 . . . . 1.99 109.791 177.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 107' ' ' VAL . . . . . 0.478 HG13 ' CG2' ' S' ' 37' ' ' ILE . 79.0 t -109.34 127.21 66.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.264 -0.88 . . . . 0.33 110.208 -179.275 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 108' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -149.68 173.58 13.52 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.034 -0.728 . . . . 1.76 109.034 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 109' ' ' LEU . . . . . 0.453 HD13 ' HE2' ' S' ' 111' ' ' TYR . 97.8 mt -93.36 124.03 37.07 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.861 -0.422 . . . . 0.57 109.861 178.598 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.99 -30.34 70.88 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.906 0.706 . . . . 0.66 112.906 -169.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 111' ' ' TYR . . . . . 0.453 ' HE2' HD13 ' S' ' 109' ' ' LEU . 15.9 p90 . . . . . 0 C--N 1.329 -0.307 0 CA-C-O 120.619 0.247 . . . . 1.25 111.37 -175.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 87.8 mtp . . . . . 0 N--CA 1.451 -0.393 0 CA-C-O 120.899 0.381 . . . . 1.39 110.932 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' S' S ' 34' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -97.16 4.69 51.06 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.148 -0.478 . . . . 0.97 111.624 -171.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 35' ' ' THR . . . . . . . . . . . . . 20.8 p -114.06 -18.09 11.78 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.444 -0.344 . . . . 0.55 111.584 -178.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 36' ' ' LYS . . . . . . . . . . . . . 34.2 tttp -97.42 110.71 23.21 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.168 0.509 . . . . 1.95 110.709 -175.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 37' ' ' ILE . . . . . 0.476 ' CG2' HG13 ' S' ' 107' ' ' VAL . 74.1 mt -98.06 136.04 30.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.335 -0.848 . . . . 0.41 110.901 -178.197 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 38' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -100.39 128.35 46.48 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.936 -0.574 . . . . 0.45 109.461 175.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 39' ' ' VAL . . . . . . . . . . . . . 31.9 t -119.41 104.03 15.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.498 -0.319 . . . . 0.2 110.291 179.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 40' ' ' GLY . . . . . . . . . . . . . . . -105.07 152.53 17.3 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.666 -0.778 . . . . 0.27 112.179 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 41' ' ' GLY . . . . . . . . . . . . . . . 99.62 40.71 3.1 Favored Glycine 0 C--O 1.23 -0.134 0 C-N-CA 120.918 -0.658 . . . . 0.49 112.207 178.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 42' ' ' LEU . . . . . 0.467 ' O ' ' HA2' ' S' ' 77' ' ' GLY . 92.4 mt -113.3 135.36 21.81 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-O 120.629 0.252 . . . . 0.6 110.471 -178.059 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 43' ' ' PRO . . . . . 0.617 ' HD2' ' OG1' ' S' ' 46' ' ' THR . 16.7 Cg_exo -66.44 170.63 11.89 Favored 'Trans proline' 0 N--CA 1.462 -0.333 0 C-N-CA 122.652 2.235 . . . . 0.55 112.213 175.345 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 44' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -71.36 -16.05 62.41 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.841 -0.618 . . . . 2.41 110.348 -178.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 45' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -82.73 -17.16 45.3 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.339 -0.846 . . . . 2.31 110.415 -177.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 46' ' ' THR . . . . . 0.617 ' OG1' ' HD2' ' S' ' 43' ' ' PRO . 59.2 m -79.27 112.34 16.41 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-N 115.895 -0.593 . . . . 0.53 109.474 -175.274 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 47' ' ' SER . . . . . 0.501 ' HB2' ' HG2' ' S' ' 49' ' ' LYS . 15.5 m -95.27 173.45 7.53 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.845 -0.616 . . . . 0.68 110.051 -178.184 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 48' ' ' ASP . . . . . 0.598 ' HB2' ' O ' ' S' ' 64' ' ' ALA . 7.3 p-10 -61.63 -35.28 77.46 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.05 -0.523 . . . . 1.29 110.517 178.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 49' ' ' LYS . . . . . 0.501 ' HG2' ' HB2' ' S' ' 47' ' ' SER . 61.9 pttt -60.32 -37.4 80.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.951 -0.568 . . . . 2.5 110.888 175.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 50' ' ' THR . . . . . . . . . . . . . 1.3 m -68.7 -45.34 71.88 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-O 121.187 0.518 . . . . 0.43 110.176 -177.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 51' ' ' LEU . . . . . . . . . . . . . 17.0 tp -60.1 -45.72 92.01 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.612 -0.722 . . . . 0.46 110.403 176.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 52' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -60.21 -47.89 84.05 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.922 -0.581 . . . . 0.55 110.687 178.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 53' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -50.56 -45.0 56.83 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.703 -0.681 . . . . 2.24 111.452 -178.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 54' ' ' TYR . . . . . 0.482 ' OH ' ' HB3' ' S' ' 98' ' ' PRO . 87.2 t80 -73.02 -37.4 66.94 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.067 -0.515 . . . . 0.55 111.986 -176.349 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 55' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -85.75 -20.5 29.18 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 113.873 1.064 . . . . 0.5 113.873 -172.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 56' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -58.8 -20.45 50.15 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 121.167 0.508 . . . . 1.47 111.453 -179.029 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 57' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -64.3 -29.07 70.16 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.374 0.607 . . . . 2.98 111.194 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 58' ' ' PHE . . . . . 0.417 ' O ' ' HD3' ' S' ' 91' ' ' ARG . 31.6 m-85 -98.48 -11.11 22.64 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.249 -0.887 . . . . 0.65 111.753 -170.536 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 59' ' ' GLY . . . . . . . . . . . . . . . 159.61 -165.21 34.43 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.284 -0.96 . . . . 0.44 112.524 178.276 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 60' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -88.27 142.17 27.96 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.893 -0.41 . . . . 1.99 109.893 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 61' ' ' ILE . . . . . . . . . . . . . 57.1 mt -118.76 134.28 62.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.017 -0.538 . . . . 0.43 110.542 -175.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 62' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -98.25 -36.32 10.06 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.128 0.489 . . . . 1.91 110.614 176.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 63' ' ' GLU . . . . . 0.472 ' HB3' ' HB ' ' S' ' 82' ' ' THR . 30.5 tt0 -136.51 131.68 34.26 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.028 -0.533 . . . . 1.81 110.444 -177.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 64' ' ' ALA . . . . . 0.598 ' O ' ' HB2' ' S' ' 48' ' ' ASP . . . -153.48 100.7 2.44 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.898 -0.408 . . . . 0.38 109.898 176.049 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 65' ' ' VAL . . . . . 0.484 ' HA ' ' HB3' ' S' ' 48' ' ' ASP . 29.4 m -136.97 142.93 36.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 111.766 0.284 . . . . 0.36 111.766 -177.063 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 66' ' ' VAL . . . . . . . . . . . . . 98.0 t -94.98 117.39 38.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 108.646 -0.872 . . . . 0.3 108.646 171.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 67' ' ' ILE . . . . . . . . . . . . . 48.4 mm -69.56 132.14 33.39 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 CA-C-O 121.488 0.661 . . . . 0.47 112.036 -169.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 68' ' ' THR . . . . . . . . . . . . . 21.0 p -106.4 151.46 24.87 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 114.851 -1.068 . . . . 0.78 110.179 179.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 69' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -70.31 138.43 51.49 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.374 -0.376 . . . . 1.75 110.026 177.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 70' ' ' ARG . . . . . . . . . . . . . 68.3 mtp180 -74.3 -18.23 60.74 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 111.769 0.285 . . . . 4.02 111.769 -173.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 71' ' ' ASN . . . . . . . . . . . . . 40.7 t-20 -95.19 -56.04 2.86 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.013 0.435 . . . . 2.64 110.677 -178.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 72' ' ' THR . . . . . . . . . . . . . 39.7 p -85.82 -23.63 27.08 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.525 0.565 . . . . 1.84 112.525 -174.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 73' ' ' GLN . . . . . . . . . . . . . 21.0 mm-40 69.71 25.3 5.18 Favored 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 112.204 0.446 . . . . 2.35 112.204 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 74' ' ' LYS . . . . . . . . . . . . . 56.0 mttp -106.77 155.15 20.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.289 -0.414 . . . . 2.77 109.885 172.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 75' ' ' SER . . . . . . . . . . . . . 7.3 m -63.87 138.01 58.29 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.455 -0.339 . . . . 1.51 111.207 -177.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 76' ' ' ARG . . . . . . . . . . . . . 51.4 mtt180 -83.43 -15.96 47.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.342 -0.39 . . . . 2.54 111.935 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 77' ' ' GLY . . . . . 0.467 ' HA2' ' O ' ' S' ' 42' ' ' LEU . . . 107.44 29.43 4.48 Favored Glycine 0 CA--C 1.518 0.24 0 C-N-CA 120.302 -0.951 . . . . 0.53 113.797 174.319 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 78' ' ' TYR . . . . . . . . . . . . . 50.9 p90 -164.21 164.03 22.69 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.934 -0.395 . . . . 0.6 109.934 178.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 79' ' ' GLY . . . . . . . . . . . . . . . -140.89 162.85 26.68 Favored Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 121.034 -0.603 . . . . 0.17 112.167 179.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 80' ' ' PHE . . . . . 0.424 ' O ' ' HA ' ' S' ' 64' ' ' ALA . 37.3 m-85 -117.24 137.66 52.24 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.656 0.265 . . . . 0.39 110.665 177.43 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 81' ' ' VAL . . . . . 0.441 ' HA ' ' O ' ' S' ' 63' ' ' GLU . 21.9 t -128.09 115.3 38.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.158 -0.474 . . . . 0.24 110.357 177.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 82' ' ' THR . . . . . 0.472 ' HB ' ' HB3' ' S' ' 63' ' ' GLU . 40.1 m -100.29 114.32 27.71 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.98 -0.748 . . . . 0.3 108.98 176.164 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 83' ' ' MET . . . . . 0.665 ' HG3' ' HA ' ' S' ' 89' ' ' ALA . 96.2 mmm -84.54 163.01 19.63 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.797 -0.638 . . . . 0.72 111.584 -172.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 84' ' ' LYS . . . . . . . . . . . . . 66.3 tttt -57.23 -43.91 83.31 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.7 -1.136 . . . . 2.21 111.895 177.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 85' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -153.92 -176.21 5.74 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.457 -0.571 . . . . 1.85 109.457 -177.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 86' ' ' ARG . . . . . 0.505 ' O ' ' HG3' ' S' ' 90' ' ' GLU . 22.4 ttp180 -76.93 -33.32 57.73 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.561 -0.456 . . . . 3.96 111.133 -175.11 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.05 -44.91 87.48 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.763 0.316 . . . . 0.62 110.361 -177.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 88' ' ' SER . . . . . . . . . . . . . 8.3 p -67.08 -38.17 85.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.373 -0.376 . . . . 0.88 110.189 177.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 89' ' ' ALA . . . . . 0.665 ' HA ' ' HG3' ' S' ' 83' ' ' MET . . . -59.77 -48.3 82.21 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.818 -0.628 . . . . 0.35 111.447 175.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 90' ' ' GLU . . . . . 0.505 ' HG3' ' O ' ' S' ' 86' ' ' ARG . 78.1 mt-10 -64.41 -32.74 74.49 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 120.831 0.348 . . . . 1.85 111.211 -179.62 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 91' ' ' ARG . . . . . 0.417 ' HD3' ' O ' ' S' ' 58' ' ' PHE . 57.3 ttt180 -69.07 -29.29 67.38 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.179 -0.464 . . . . 2.92 110.272 179.035 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 92' ' ' ALA . . . . . . . . . . . . . . . -84.16 -42.7 15.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.47 110.487 176.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 93' ' ' CYS . . . . . . . . . . . . . 13.0 t -80.54 3.72 20.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.05 -0.523 . . . . 1.35 110.338 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 94' ' ' LYS . . . . . . . . . . . . . 15.9 tptp -56.44 -37.9 70.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.356 -0.838 . . . . 2.95 110.452 176.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 95' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -120.69 102.13 45.04 Favored Pre-proline 0 C--N 1.319 -0.742 0 CA-C-N 115.977 -0.556 . . . . 2.13 109.798 174.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 96' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.8 -6.56 19.39 Favored 'Trans proline' 0 C--N 1.343 0.255 0 C-N-CA 122.875 2.383 . . . . 0.76 112.667 -176.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 97' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -127.07 77.17 75.6 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 120.939 0.4 . . . . 1.08 111.029 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 98' ' ' PRO . . . . . 0.482 ' HB3' ' OH ' ' S' ' 54' ' ' TYR . 4.5 Cg_exo -81.88 163.41 18.3 Favored 'Trans proline' 0 N--CA 1.456 -0.696 0 C-N-CA 123.214 2.609 . . . . 0.53 111.279 175.316 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 99' ' ' ILE . . . . . . . . . . . . . 48.8 mm -110.16 103.05 14.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-O 121.056 0.455 . . . . 0.51 109.857 179.086 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 100' ' ' ILE . . . . . . . . . . . . . 62.2 mt -118.96 129.97 74.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 109.215 -0.661 . . . . 0.57 109.215 -178.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 101' ' ' ASP . . . . . . . . . . . . . 29.5 t70 66.15 14.62 9.73 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 122.0 0.905 . . . . 1.4 109.957 -177.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 102' ' ' GLY . . . . . . . . . . . . . . . 83.27 1.05 90.42 Favored Glycine 0 N--CA 1.449 -0.468 0 CA-C-N 115.544 -0.753 . . . . 0.82 111.627 -175.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 103' ' ' ARG . . . . . 0.517 ' NE ' ' HG3' ' S' ' 43' ' ' PRO . 55.6 mtt180 -99.64 157.23 16.61 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 110.226 -0.287 . . . . 3.11 110.226 -179.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 104' ' ' LYS . . . . . . . . . . . . . 52.9 tttm -87.72 109.59 19.82 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.116 0.484 . . . . 1.98 110.342 177.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 105' ' ' ALA . . . . . . . . . . . . . . . -89.77 165.46 14.15 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.785 -0.643 . . . . 0.33 111.008 -177.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 106' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -124.0 110.22 14.51 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.15 -0.477 . . . . 1.99 109.933 179.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 107' ' ' VAL . . . . . 0.476 HG13 ' CG2' ' S' ' 37' ' ' ILE . 54.4 t -110.9 126.99 68.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.848 -0.615 . . . . 0.33 110.57 -178.169 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 108' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -160.69 146.28 14.71 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.989 -0.551 . . . . 1.76 110.455 -177.089 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 109' ' ' LEU . . . . . 0.426 HD23 HG12 ' S' ' 37' ' ' ILE . 97.7 mt -63.79 128.51 36.13 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-O 121.154 0.502 . . . . 0.57 110.953 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.31 -20.06 63.88 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.971 0.73 . . . . 0.66 112.971 -169.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 111' ' ' TYR . . . . . . . . . . . . . 15.0 p90 . . . . . 0 N--CA 1.469 0.499 0 CA-C-O 120.587 0.232 . . . . 1.25 111.619 -174.1 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' S' S ' 33' ' ' MET . . . . . 0.589 ' HB3' ' HB3' ' S' ' 111' ' ' TYR . 58.3 mtm . . . . . 0 N--CA 1.447 -0.592 0 CA-C-O 121.185 0.517 . . . . 1.39 110.036 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 34' ' ' PHE . . . . . 0.437 ' HB3' ' NH1' ' S' ' 86' ' ' ARG . 82.2 m-85 -94.76 -1.7 52.42 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.459 -0.791 . . . . 0.97 111.46 -176.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 35' ' ' THR . . . . . . . . . . . . . 7.3 p -114.54 -11.92 12.35 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.079 0.399 . . . . 0.55 112.079 -176.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 36' ' ' LYS . . . . . . . . . . . . . 27.7 tttp -105.69 114.82 29.2 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.288 0.566 . . . . 1.95 110.495 -178.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 37' ' ' ILE . . . . . . . . . . . . . 69.2 mt -94.96 135.39 29.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 115.228 -0.896 . . . . 0.41 110.986 -178.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 38' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -98.9 120.71 39.79 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.965 -0.754 . . . . 0.45 108.965 175.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 39' ' ' VAL . . . . . 0.527 HG21 HD11 ' S' ' 51' ' ' LEU . 20.2 t -113.86 99.58 8.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 120.773 0.32 . . . . 0.2 110.16 -179.454 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 40' ' ' GLY . . . . . . . . . . . . . . . -106.18 154.13 16.94 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.692 -0.766 . . . . 0.27 112.256 -178.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 41' ' ' GLY . . . . . . . . . . . . . . . 99.11 24.31 10.54 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.788 -0.72 . . . . 0.49 112.026 178.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 42' ' ' LEU . . . . . 0.401 ' HA ' ' HD3' ' S' ' 43' ' ' PRO . 92.2 mt -91.72 137.64 25.47 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-O 120.6 0.238 . . . . 0.6 110.591 -177.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 43' ' ' PRO . . . . . 0.556 ' HD2' ' OG1' ' S' ' 46' ' ' THR . 14.5 Cg_exo -68.4 164.86 31.02 Favored 'Trans proline' 0 N--CA 1.459 -0.541 0 C-N-CA 122.579 2.186 . . . . 0.55 111.539 173.376 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 44' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -65.99 -20.49 66.21 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.101 0.477 . . . . 2.41 110.85 -178.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 45' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -83.52 -4.9 58.95 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.358 -0.837 . . . . 2.31 110.177 -175.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 46' ' ' THR . . . . . 0.556 ' OG1' ' HD2' ' S' ' 43' ' ' PRO . 78.7 m -95.95 109.51 21.87 Favored 'General case' 0 N--CA 1.439 -1.022 0 N-CA-C 109.292 -0.633 . . . . 0.53 109.292 -176.663 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 47' ' ' SER . . . . . . . . . . . . . 14.5 m -101.54 -175.51 2.88 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.98 -0.554 . . . . 0.68 110.411 -176.139 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 48' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -55.93 -41.82 75.2 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.168 -0.924 . . . . 1.29 110.882 177.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 49' ' ' LYS . . . . . . . . . . . . . 24.0 pttm -59.84 -40.35 88.19 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.027 -0.533 . . . . 2.5 111.298 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 50' ' ' THR . . . . . . . . . . . . . 4.3 m -67.72 -49.21 63.8 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-O 121.265 0.555 . . . . 0.43 110.394 -178.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 51' ' ' LEU . . . . . 0.527 HD11 HG21 ' S' ' 39' ' ' VAL . 29.5 tp -60.98 -41.63 96.8 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.404 -0.817 . . . . 0.46 110.802 178.201 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 52' ' ' HIS . . . . . . . . . . . . . 39.8 t-80 -61.64 -48.51 80.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.532 -0.758 . . . . 0.55 111.16 -179.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 53' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -57.55 -49.48 76.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.532 -0.303 . . . . 2.24 111.585 -177.032 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 54' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -65.43 -40.09 92.9 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.533 -0.303 . . . . 0.55 111.582 -174.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 55' ' ' PHE . . . . . 0.542 ' HA ' ' HD2' ' S' ' 58' ' ' PHE . 33.9 m-85 -84.64 -20.57 31.12 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.295 0.48 . . . . 0.5 112.295 -174.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 56' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -60.46 -26.31 66.67 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 121.283 0.563 . . . . 1.47 110.076 176.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 57' ' ' GLN . . . . . . . . . . . . . 16.6 tp60 -57.8 -32.56 67.68 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.528 -0.76 . . . . 2.98 110.845 174.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 58' ' ' PHE . . . . . 0.542 ' HD2' ' HA ' ' S' ' 55' ' ' PHE . 75.2 m-85 -91.54 -1.51 57.48 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.436 -0.347 . . . . 0.65 111.699 -174.48 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 59' ' ' GLY . . . . . . . . . . . . . . . 143.07 -171.24 25.03 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.516 -0.85 . . . . 0.44 112.961 176.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 60' ' ' ASP . . . . . 0.589 ' OD1' ' HE2' ' S' ' 84' ' ' LYS . 11.7 m-20 -76.76 136.56 39.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.842 0.353 . . . . 1.99 110.512 -179.436 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 61' ' ' ILE . . . . . 0.672 HG21 ' HB2' ' S' ' 64' ' ' ALA . 56.0 mt -111.34 138.37 40.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.949 -0.568 . . . . 0.43 110.246 -178.338 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 62' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -102.44 -26.51 13.23 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.446 -0.343 . . . . 1.91 111.254 177.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 63' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -149.35 115.7 5.81 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.604 -0.271 . . . . 1.81 110.658 178.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 64' ' ' ALA . . . . . 0.672 ' HB2' HG21 ' S' ' 61' ' ' ILE . . . -137.13 103.18 5.05 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.769 0.319 . . . . 0.38 110.364 177.493 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 65' ' ' VAL . . . . . . . . . . . . . 16.3 m -142.21 139.74 29.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.084 -0.507 . . . . 0.36 110.867 -179.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 66' ' ' VAL . . . . . . . . . . . . . 60.0 t -90.36 121.46 40.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 108.063 -1.088 . . . . 0.3 108.063 170.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 67' ' ' ILE . . . . . . . . . . . . . 50.1 mm -68.3 130.24 33.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.115 0.483 . . . . 0.47 111.912 -167.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 68' ' ' THR . . . . . . . . . . . . . 27.1 p -104.02 142.49 34.36 Favored 'General case' 0 N--CA 1.441 -0.875 0 CA-C-N 115.312 -0.858 . . . . 0.78 109.486 178.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 69' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -65.95 151.67 46.26 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 120.907 -0.317 . . . . 1.75 110.576 178.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 70' ' ' ARG . . . . . . . . . . . . . 54.2 mtm180 -76.46 -23.82 53.88 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.773 0.321 . . . . 4.02 111.183 -175.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 71' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -92.75 -43.57 8.97 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.746 0.308 . . . . 2.64 110.729 -174.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 72' ' ' THR . . . . . . . . . . . . . 22.5 p -99.98 -25.14 14.42 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.342 0.497 . . . . 1.84 112.342 -176.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 73' ' ' GLN . . . . . . . . . . . . . 76.2 mm-40 60.28 37.27 20.49 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.42 0.629 . . . . 2.35 110.891 -175.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 74' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -114.55 161.83 17.52 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.444 -0.798 . . . . 2.77 109.235 174.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 75' ' ' SER . . . . . . . . . . . . . 45.7 t -59.98 137.85 57.99 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.022 0.439 . . . . 1.51 111.824 -177.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 76' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -92.76 3.76 55.03 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.976 -0.557 . . . . 2.54 111.395 177.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 77' ' ' GLY . . . . . . . . . . . . . . . 90.63 13.75 59.22 Favored Glycine 0 CA--C 1.52 0.378 0 C-N-CA 120.426 -0.892 . . . . 0.53 113.571 174.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 78' ' ' TYR . . . . . . . . . . . . . 29.1 p90 -156.35 156.35 33.77 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.884 0.373 . . . . 0.6 110.771 177.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 79' ' ' GLY . . . . . . . . . . . . . . . -136.42 162.43 25.11 Favored Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 121.102 -0.571 . . . . 0.17 111.934 178.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 80' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -113.64 136.16 53.13 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 122.812 -0.228 . . . . 0.39 110.46 178.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 81' ' ' VAL . . . . . . . . . . . . . 56.3 t -123.2 116.48 48.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.048 -0.524 . . . . 0.24 110.061 177.002 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 82' ' ' THR . . . . . . . . . . . . . 29.3 m -105.83 114.5 28.69 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.149 -0.478 . . . . 0.3 109.776 179.068 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 83' ' ' MET . . . . . 0.623 ' HG3' ' HA ' ' S' ' 89' ' ' ALA . 92.3 mmm -87.25 170.38 11.5 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 123.783 0.677 . . . . 0.72 110.744 -176.331 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 84' ' ' LYS . . . . . 0.589 ' HE2' ' OD1' ' S' ' 60' ' ' ASP . 0.0 OUTLIER -85.08 -18.23 34.95 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.903 0.334 . . . . 2.21 111.903 -176.146 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' S' S ' 85' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -158.8 177.35 11.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.787 0.327 . . . . 1.85 110.581 -179.383 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 86' ' ' ARG . . . . . 0.437 ' NH1' ' HB3' ' S' ' 34' ' ' PHE . 23.9 tpt180 -73.15 -40.83 64.55 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.848 -0.614 . . . . 3.96 112.015 -174.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.63 -42.7 98.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.775 0.322 . . . . 0.62 111.128 -174.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 88' ' ' SER . . . . . . . . . . . . . 32.6 p -70.68 -37.65 73.65 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.788 0.327 . . . . 0.88 110.353 178.074 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 89' ' ' ALA . . . . . 0.623 ' HA ' ' HG3' ' S' ' 83' ' ' MET . . . -59.44 -51.76 68.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.815 -0.63 . . . . 0.35 111.626 178.194 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 90' ' ' GLU . . . . . 0.537 ' O ' ' HG2' ' S' ' 94' ' ' LYS . 11.5 pt-20 -74.53 -22.24 59.13 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.521 -0.472 . . . . 1.85 110.803 -179.063 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 91' ' ' ARG . . . . . . . . . . . . . 40.8 ttp180 -66.37 -32.36 73.69 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.818 -0.438 . . . . 2.92 109.818 174.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 92' ' ' ALA . . . . . . . . . . . . . . . -77.51 -34.03 54.16 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.939 -0.573 . . . . 0.47 109.891 174.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 93' ' ' CYS . . . . . . . . . . . . . 44.1 t -69.48 -9.98 56.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.576 -0.738 . . . . 1.35 110.743 178.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 94' ' ' LYS . . . . . 0.537 ' HG2' ' O ' ' S' ' 90' ' ' GLU . 34.3 mmtp -69.38 -14.93 63.17 Favored 'General case' 0 CA--C 1.528 0.123 0 CA-C-N 116.292 -0.413 . . . . 2.95 111.132 174.064 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 95' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -104.55 97.92 13.44 Favored Pre-proline 0 C--N 1.327 -0.408 0 N-CA-C 109.463 -0.569 . . . . 2.13 109.463 178.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 96' ' ' PRO . . . . . 0.481 ' HD3' ' O ' ' S' ' 94' ' ' LYS . 14.4 Cg_exo -69.4 -55.48 0.19 Allowed 'Trans proline' 0 C--O 1.237 0.464 0 C-N-CA 123.063 2.509 . . . . 0.76 112.46 -174.676 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 97' ' ' ASN . . . . . 0.407 HD22 ' HA ' ' S' ' 97' ' ' ASN . 8.1 m120 -126.19 83.9 62.75 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 115.891 -0.595 . . . . 1.08 110.554 -179.097 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 98' ' ' PRO . . . . . 0.424 ' HG2' ' HB3' ' S' ' 105' ' ' ALA . 95.7 Cg_endo -81.98 153.58 16.97 Favored 'Trans proline' 0 N--CA 1.457 -0.657 0 C-N-CA 122.635 2.223 . . . . 0.53 112.216 178.709 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 99' ' ' ILE . . . . . . . . . . . . . 46.7 mm -95.11 106.97 18.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 121.265 0.555 . . . . 0.51 109.822 177.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 100' ' ' ILE . . . . . . . . . . . . . 53.8 mt -117.8 122.69 70.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.897 -0.592 . . . . 0.57 109.83 -178.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 101' ' ' ASP . . . . . . . . . . . . . 19.8 t70 64.85 15.2 9.73 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.68 0.752 . . . . 1.4 110.953 175.197 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 102' ' ' GLY . . . . . . . . . . . . . . . 99.76 1.2 56.33 Favored Glycine 0 N--CA 1.449 -0.438 0 CA-C-N 115.716 -0.675 . . . . 0.82 112.842 179.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 103' ' ' ARG . . . . . 0.445 ' NE ' ' HA ' ' S' ' 103' ' ' ARG . 2.0 tpm_? -119.82 156.2 31.12 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 122.658 -0.319 . . . . 3.11 110.366 -177.757 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 104' ' ' LYS . . . . . . . . . . . . . 29.4 ttmt -82.46 121.06 26.26 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 110.256 -0.276 . . . . 1.98 110.256 175.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 105' ' ' ALA . . . . . 0.424 ' HB3' ' HG2' ' S' ' 98' ' ' PRO . . . -97.73 161.52 13.71 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.36 -0.382 . . . . 0.33 110.453 177.276 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 106' ' ' ASN . . . . . . . . . . . . . 46.8 m-80 -119.67 112.55 19.44 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.607 -0.516 . . . . 1.99 109.607 178.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 107' ' ' VAL . . . . . . . . . . . . . 99.3 t -103.54 126.37 58.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.845 -0.616 . . . . 0.33 111.04 -177.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 108' ' ' ASN . . . . . . . . . . . . . 32.5 p-10 -157.57 168.22 27.92 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.128 -0.487 . . . . 1.76 109.926 176.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 109' ' ' LEU . . . . . . . . . . . . . 89.2 mt -84.92 135.32 34.1 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.457 -0.338 . . . . 0.57 110.656 -178.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.76 -31.38 69.6 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.693 0.627 . . . . 0.66 112.693 -173.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 111' ' ' TYR . . . . . 0.589 ' HB3' ' HB3' ' S' ' 33' ' ' MET . 4.6 p90 . . . . . 0 C--N 1.328 -0.344 0 C-N-CA 121.203 -0.199 . . . . 1.25 111.373 -175.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 50.2 mtm . . . . . 0 N--CA 1.45 -0.439 0 CA-C-O 121.17 0.509 . . . . 1.39 110.008 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' S' S ' 34' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -93.06 6.07 49.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.536 -0.756 . . . . 0.97 110.835 -176.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 35' ' ' THR . . . . . 0.436 ' O ' ' HA ' ' S' ' 82' ' ' THR . 12.7 p -114.38 -8.65 12.83 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.103 0.478 . . . . 0.55 110.533 -177.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 36' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -103.68 103.14 13.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.267 -0.879 . . . . 1.95 110.669 -176.125 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 37' ' ' ILE . . . . . 0.435 ' CG2' HG13 ' S' ' 107' ' ' VAL . 66.5 mt -90.92 130.72 39.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 115.301 -0.863 . . . . 0.41 110.771 -177.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 38' ' ' PHE . . . . . 0.455 ' HB2' ' HB2' ' S' ' 110' ' ' ALA . 90.8 t80 -98.34 121.86 40.79 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.548 -0.538 . . . . 0.45 109.548 174.207 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 39' ' ' VAL . . . . . 0.419 HG21 HD11 ' S' ' 51' ' ' LEU . 27.9 t -117.54 98.66 6.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.314 -0.403 . . . . 0.2 110.046 178.346 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 40' ' ' GLY . . . . . . . . . . . . . . . -104.44 152.89 17.57 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.636 -0.792 . . . . 0.27 111.611 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 41' ' ' GLY . . . . . . . . . . . . . . . 98.66 34.69 5.16 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.804 -0.712 . . . . 0.49 111.769 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 42' ' ' LEU . . . . . . . . . . . . . 97.5 mt -100.38 140.05 21.14 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-O 120.787 0.327 . . . . 0.6 110.319 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 43' ' ' PRO . . . . . 0.509 ' HD2' ' OG1' ' S' ' 46' ' ' THR . 16.9 Cg_exo -68.6 168.89 18.64 Favored 'Trans proline' 0 N--CA 1.46 -0.488 0 C-N-CA 122.539 2.16 . . . . 0.55 111.77 174.091 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 44' ' ' TYR . . . . . 0.479 ' HA ' ' HB3' ' S' ' 75' ' ' SER . 19.8 m-85 -72.72 -10.53 59.91 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.212 0.529 . . . . 2.41 110.546 -176.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 45' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -90.96 -4.41 56.5 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.366 -0.833 . . . . 2.31 109.925 -175.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 46' ' ' THR . . . . . 0.509 ' OG1' ' HD2' ' S' ' 43' ' ' PRO . 62.6 m -92.17 113.72 26.07 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-N 115.688 -0.687 . . . . 0.53 110.378 -175.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 47' ' ' SER . . . . . . . . . . . . . 36.6 m -103.61 178.95 4.41 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.026 -0.533 . . . . 0.68 110.263 179.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 48' ' ' ASP . . . . . 0.458 ' HB2' ' O ' ' S' ' 64' ' ' ALA . 6.6 p-10 -55.08 -38.14 67.7 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.199 -0.455 . . . . 1.29 110.729 178.167 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 49' ' ' LYS . . . . . 0.533 ' O ' ' HB2' ' S' ' 53' ' ' GLU . 12.7 ptmt -61.94 -27.47 68.86 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.398 -0.819 . . . . 2.5 111.297 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 50' ' ' THR . . . . . . . . . . . . . 9.2 m -84.36 -45.59 12.62 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 120.846 0.355 . . . . 0.43 110.779 -177.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 51' ' ' LEU . . . . . 0.419 HD11 HG21 ' S' ' 39' ' ' VAL . 25.6 tp -55.31 -48.38 74.22 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-O 121.444 0.64 . . . . 0.46 109.805 174.038 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 52' ' ' HIS . . . . . . . . . . . . . 31.5 t-80 -63.38 -41.53 98.8 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.109 -0.951 . . . . 0.55 110.901 178.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 53' ' ' GLU . . . . . 0.533 ' HB2' ' O ' ' S' ' 49' ' ' LYS . 5.6 tp10 -52.32 -41.55 63.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.482 -0.781 . . . . 2.24 111.4 -177.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 54' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -81.52 -45.53 15.81 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.677 -0.692 . . . . 0.55 112.175 -174.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 55' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -85.01 -20.61 30.22 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 114.76 1.393 . . . . 0.5 114.76 -167.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 56' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -65.95 -11.55 48.37 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 118.936 0.789 . . . . 1.47 110.863 -177.052 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 57' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -62.94 -23.24 67.29 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.971 -0.559 . . . . 2.98 110.143 176.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 58' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -91.07 -27.39 18.63 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.669 -0.696 . . . . 0.65 111.69 -175.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 59' ' ' GLY . . . . . . . . . . . . . . . 164.98 -172.03 40.54 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.501 -0.857 . . . . 0.44 112.659 -179.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 60' ' ' ASP . . . . . 0.597 ' HB2' ' HB3' ' S' ' 84' ' ' LYS . 3.0 m-20 -62.28 124.33 20.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.867 0.365 . . . . 1.99 111.57 -179.229 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 61' ' ' ILE . . . . . 0.562 HG21 ' HB2' ' S' ' 64' ' ' ALA . 47.5 mt -104.32 120.71 55.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.839 -0.619 . . . . 0.43 110.096 173.758 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 62' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -92.15 -32.87 14.95 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.373 -0.376 . . . . 1.91 110.695 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 63' ' ' GLU . . . . . 0.415 ' HB3' ' HB ' ' S' ' 82' ' ' THR . 31.6 tt0 -140.11 126.22 19.79 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 110.041 -0.355 . . . . 1.81 110.041 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 64' ' ' ALA . . . . . 0.562 ' HB2' HG21 ' S' ' 61' ' ' ILE . . . -150.34 101.74 3.0 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.581 0.229 . . . . 0.38 110.674 178.422 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 65' ' ' VAL . . . . . . . . . . . . . 34.9 m -139.05 144.09 30.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.421 -0.354 . . . . 0.36 111.275 -179.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 66' ' ' VAL . . . . . . . . . . . . . 89.2 t -96.74 121.94 47.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 108.925 -0.769 . . . . 0.3 108.925 172.204 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 67' ' ' ILE . . . . . . . . . . . . . 48.7 mm -73.56 116.98 16.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.275 0.56 . . . . 0.47 111.879 -170.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 68' ' ' THR . . . . . . . . . . . . . 4.0 p -92.51 142.23 27.63 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.481 -0.781 . . . . 0.78 109.725 172.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 69' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -64.26 139.31 58.75 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 110.08 -0.341 . . . . 1.75 110.08 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 70' ' ' ARG . . . . . . . . . . . . . 41.0 mtp180 -74.59 -23.09 58.69 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 111.82 0.304 . . . . 4.02 111.82 -174.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 71' ' ' ASN . . . . . . . . . . . . . 46.7 t-20 -85.39 -56.61 3.44 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.81 0.338 . . . . 2.64 110.261 -177.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 72' ' ' THR . . . . . 0.453 ' HB ' ' HG2' ' S' ' 74' ' ' LYS . 32.1 p -89.49 -20.6 23.65 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.087 -0.506 . . . . 1.84 112.364 -175.2 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 73' ' ' GLN . . . . . . . . . . . . . 17.7 mm-40 64.36 28.92 13.71 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 121.34 0.591 . . . . 2.35 111.27 -178.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 74' ' ' LYS . . . . . 0.453 ' HG2' ' HB ' ' S' ' 72' ' ' THR . 29.0 mmmt -104.56 154.59 19.73 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.803 -0.814 . . . . 2.77 108.803 175.466 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 75' ' ' SER . . . . . 0.479 ' HB3' ' HA ' ' S' ' 44' ' ' TYR . 44.7 t -65.26 132.63 49.55 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.85 0.357 . . . . 1.51 110.697 179.542 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 76' ' ' ARG . . . . . . . . . . . . . 92.6 mtt180 -83.92 -3.08 57.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.265 -0.425 . . . . 2.54 111.141 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 77' ' ' GLY . . . . . . . . . . . . . . . 83.72 30.46 29.45 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.644 -0.789 . . . . 0.53 113.337 174.008 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 78' ' ' TYR . . . . . . . . . . . . . 24.1 p90 -161.67 156.57 23.23 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 110.128 -0.323 . . . . 0.6 110.128 176.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 79' ' ' GLY . . . . . . . . . . . . . . . -145.14 169.41 26.82 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.838 -0.696 . . . . 0.17 112.051 178.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 80' ' ' PHE . . . . . 0.404 ' CE1' ' HD1' ' S' ' 38' ' ' PHE . 96.6 m-85 -122.04 138.45 54.43 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.629 0.252 . . . . 0.39 110.53 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 81' ' ' VAL . . . . . 0.411 ' HB ' ' HB ' ' S' ' 37' ' ' ILE . 42.3 t -122.69 122.48 66.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.29 -0.414 . . . . 0.24 110.844 178.166 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 82' ' ' THR . . . . . 0.436 ' HA ' ' O ' ' S' ' 35' ' ' THR . 58.3 m -102.62 114.24 28.3 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.657 -0.497 . . . . 0.3 109.657 175.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 83' ' ' MET . . . . . 0.625 ' HG3' ' HA ' ' S' ' 89' ' ' ALA . 98.2 mmm -92.29 165.47 13.08 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.798 -0.637 . . . . 0.72 111.046 -177.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 84' ' ' LYS . . . . . 0.597 ' HB3' ' HB2' ' S' ' 60' ' ' ASP . 12.5 ptmm? -56.82 -45.76 82.09 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.434 -0.803 . . . . 2.21 112.194 179.63 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 85' ' ' ASP . . . . . 0.402 ' OD2' ' HG3' ' S' ' 84' ' ' LYS . 3.7 p30 -146.73 170.41 17.04 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.845 -0.428 . . . . 1.85 109.845 -177.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 86' ' ' ARG . . . . . 0.509 ' O ' ' HG3' ' S' ' 90' ' ' GLU . 39.2 ptt180 -69.29 -32.73 72.07 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.059 -0.519 . . . . 3.96 111.993 -174.745 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 87' ' ' ALA . . . . . . . . . . . . . . . -71.63 -43.52 66.01 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.87 0.367 . . . . 0.62 110.46 -177.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 88' ' ' SER . . . . . . . . . . . . . 50.8 m -63.32 -39.5 94.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.158 0.504 . . . . 0.88 110.011 175.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 89' ' ' ALA . . . . . 0.625 ' HA ' ' HG3' ' S' ' 83' ' ' MET . . . -59.97 -42.72 94.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.578 -0.737 . . . . 0.35 110.927 174.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 90' ' ' GLU . . . . . 0.522 ' O ' ' HG2' ' S' ' 94' ' ' LYS . 44.7 mt-10 -62.03 -35.41 78.51 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 116.55 -0.295 . . . . 1.85 111.174 177.402 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 91' ' ' ARG . . . . . . . . . . . . . 53.5 ttt180 -62.28 -37.77 86.79 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 110.04 -0.355 . . . . 2.92 110.04 177.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 92' ' ' ALA . . . . . . . . . . . . . . . -71.18 -35.88 71.77 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.945 -0.57 . . . . 0.47 110.598 176.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 93' ' ' CYS . . . . . . . . . . . . . 22.3 t -78.63 0.1 27.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.804 -0.634 . . . . 1.35 110.945 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 94' ' ' LYS . . . . . 0.522 ' HG2' ' O ' ' S' ' 90' ' ' GLU . 37.9 mmtm -71.81 -11.58 60.87 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.366 -0.379 . . . . 2.95 110.765 172.248 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 95' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -111.65 85.77 6.37 Favored Pre-proline 0 C--N 1.327 -0.386 0 N-CA-C 109.318 -0.623 . . . . 2.13 109.318 170.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 96' ' ' PRO . . . . . 0.425 ' HD3' ' O ' ' S' ' 94' ' ' LYS . 19.6 Cg_exo -66.73 -33.43 34.81 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.941 2.427 . . . . 0.76 112.089 -176.713 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 97' ' ' ASN . . . . . 0.475 ' HA ' ' O ' ' S' ' 105' ' ' ALA . 10.1 m120 -125.28 85.02 58.89 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 115.978 -0.555 . . . . 1.08 110.427 178.422 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 98' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -83.95 149.18 12.28 Favored 'Trans proline' 0 N--CA 1.455 -0.781 0 C-N-CA 122.844 2.363 . . . . 0.53 111.653 176.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 99' ' ' ILE . . . . . . . . . . . . . 47.9 mm -97.52 91.47 2.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 121.629 0.728 . . . . 0.51 110.052 178.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 100' ' ' ILE . . . . . . . . . . . . . 58.5 mt -102.49 118.44 49.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 115.281 -0.872 . . . . 0.57 109.884 -178.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 101' ' ' ASP . . . . . 0.404 ' OD2' ' HG2' ' S' ' 43' ' ' PRO . 33.0 t70 65.06 14.42 9.35 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-O 122.042 0.925 . . . . 1.4 110.448 -177.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 102' ' ' GLY . . . . . . . . . . . . . . . 93.84 -1.19 68.0 Favored Glycine 0 N--CA 1.448 -0.502 0 CA-C-N 115.737 -0.665 . . . . 0.82 112.027 -178.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 103' ' ' ARG . . . . . . . . . . . . . 2.7 tpp180 -99.63 138.47 36.66 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.592 -0.522 . . . . 3.11 109.592 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 104' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -84.3 103.15 13.23 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.846 -0.428 . . . . 1.98 109.846 179.059 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 105' ' ' ALA . . . . . 0.475 ' O ' ' HA ' ' S' ' 97' ' ' ASN . . . -82.86 164.5 20.48 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.86 -0.609 . . . . 0.33 111.125 -177.155 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 106' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -117.09 109.14 16.58 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.776 -0.647 . . . . 1.99 109.29 177.336 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 107' ' ' VAL . . . . . 0.435 HG13 ' CG2' ' S' ' 37' ' ' ILE . 76.8 t -104.76 127.63 59.07 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 115.938 -0.574 . . . . 0.33 110.609 -176.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 108' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -159.01 156.78 29.99 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.872 -0.604 . . . . 1.76 109.584 -179.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 109' ' ' LEU . . . . . . . . . . . . . 93.4 mt -70.99 123.75 22.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.055 0.455 . . . . 0.57 109.793 177.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 110' ' ' ALA . . . . . 0.455 ' HB2' ' HB2' ' S' ' 38' ' ' PHE . . . -70.57 -10.86 60.3 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 113.01 0.745 . . . . 0.66 113.01 -170.348 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 111' ' ' TYR . . . . . . . . . . . . . 8.2 p90 . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 120.674 0.273 . . . . 1.25 111.313 -175.91 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 27.1 ttt . . . . . 0 N--CA 1.451 -0.38 0 CA-C-O 121.01 0.433 . . . . 1.39 110.595 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' S' S ' 34' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -96.9 1.15 50.16 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.875 -0.602 . . . . 0.97 110.998 -174.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 35' ' ' THR . . . . . 0.447 ' O ' ' HA ' ' S' ' 82' ' ' THR . 25.0 p -110.4 4.48 20.66 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.401 0.619 . . . . 0.55 109.933 -178.526 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 36' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -102.18 102.77 13.24 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.078 -0.965 . . . . 1.95 110.852 -173.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 37' ' ' ILE . . . . . . . . . . . . . 66.9 mt -97.42 136.03 29.67 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-N 115.28 -0.873 . . . . 0.41 110.703 -178.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 38' ' ' PHE . . . . . 0.406 ' HD1' ' CE1' ' S' ' 80' ' ' PHE . 84.9 t80 -98.35 126.88 44.04 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.177 -0.675 . . . . 0.45 109.177 175.362 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 39' ' ' VAL . . . . . . . . . . . . . 20.5 t -120.23 96.37 4.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 120.946 0.403 . . . . 0.2 110.356 177.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 40' ' ' GLY . . . . . . . . . . . . . . . -109.5 170.47 14.42 Favored Glycine 0 N--CA 1.449 -0.5 0 N-CA-C 110.927 -0.869 . . . . 0.27 110.927 177.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 41' ' ' GLY . . . . . . . . . . . . . . . 88.33 7.61 72.55 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.381 -0.914 . . . . 0.49 112.05 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 42' ' ' LEU . . . . . . . . . . . . . 96.3 mt -74.35 157.36 86.56 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-N 115.775 -0.213 . . . . 0.6 110.462 -179.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 43' ' ' PRO . . . . . 0.511 ' HG2' ' HB3' ' S' ' 101' ' ' ASP . 44.9 Cg_exo -58.15 152.32 53.17 Favored 'Trans proline' 0 N--CA 1.459 -0.512 0 C-N-CA 122.333 2.022 . . . . 0.55 111.33 169.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 44' ' ' TYR . . . . . . . . . . . . . 66.5 t80 -59.87 -33.78 72.27 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 112.667 0.617 . . . . 2.41 112.667 -173.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 45' ' ' HIS . . . . . . . . . . . . . 10.2 p80 -104.52 25.92 9.65 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.05 0.389 . . . . 2.31 112.05 -172.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 46' ' ' THR . . . . . . . . . . . . . 85.5 m -71.61 123.19 21.94 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.836 0.35 . . . . 0.53 110.083 178.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 47' ' ' SER . . . . . . . . . . . . . 31.5 m -88.11 157.43 18.85 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-O 120.952 0.406 . . . . 0.68 111.134 -177.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 48' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -54.09 -45.7 71.88 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.338 -0.846 . . . . 1.29 111.322 -178.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 49' ' ' LYS . . . . . 0.477 ' O ' ' HB2' ' S' ' 53' ' ' GLU . 13.0 ptmm? -59.46 -32.59 70.37 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-N 116.3 -0.409 . . . . 2.5 111.21 -179.564 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 50' ' ' THR . . . . . . . . . . . . . 40.9 m -71.31 -39.39 71.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.85 0.357 . . . . 0.43 110.974 -177.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 51' ' ' LEU . . . . . 0.621 HD22 ' HA3' ' S' ' 79' ' ' GLY . 47.9 tp -64.11 -47.67 79.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.045 0.45 . . . . 0.46 110.189 176.38 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 52' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -61.15 -44.44 97.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.633 -0.712 . . . . 0.55 110.72 178.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 53' ' ' GLU . . . . . 0.477 ' HB2' ' O ' ' S' ' 49' ' ' LYS . 30.6 tt0 -59.79 -36.39 76.6 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.462 -0.79 . . . . 2.24 111.776 -177.062 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 54' ' ' TYR . . . . . . . . . . . . . 71.3 t80 -76.49 -40.47 50.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.898 0.38 . . . . 0.55 111.161 -178.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 55' ' ' PHE . . . . . 0.6 ' HA ' ' HD2' ' S' ' 58' ' ' PHE . 27.4 m-85 -79.01 -19.49 51.43 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 111.961 0.356 . . . . 0.5 111.961 -177.316 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 56' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -52.2 -25.97 10.48 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.941 -0.572 . . . . 1.47 111.004 176.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 57' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -71.58 -37.93 70.98 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.55 0.69 . . . . 2.98 110.84 -177.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 58' ' ' PHE . . . . . 0.6 ' HD2' ' HA ' ' S' ' 55' ' ' PHE . 87.2 m-85 -75.62 -30.52 59.55 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.914 -1.039 . . . . 0.65 111.697 -175.01 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 59' ' ' GLY . . . . . . . . . . . . . . . 171.53 -163.1 35.73 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.26 -0.971 . . . . 0.44 112.498 178.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 60' ' ' ASP . . . . . 0.988 ' HB3' ' HG2' ' S' ' 84' ' ' LYS . 27.5 t0 -88.68 143.35 26.99 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.02 0.438 . . . . 1.99 110.095 -178.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 61' ' ' ILE . . . . . . . . . . . . . 20.7 mt -121.96 136.53 58.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 115.898 -0.592 . . . . 0.43 110.549 -170.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 62' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -86.64 -36.15 18.95 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.739 -0.384 . . . . 1.91 110.46 177.058 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 63' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -164.79 136.51 4.35 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.499 -0.318 . . . . 1.81 110.567 174.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 64' ' ' ALA . . . . . . . . . . . . . . . -145.12 108.65 4.65 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.657 -0.497 . . . . 0.38 109.657 177.011 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 65' ' ' VAL . . . . . . . . . . . . . 24.3 m -136.4 148.71 27.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 120.946 0.403 . . . . 0.36 111.873 -174.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 66' ' ' VAL . . . . . . . . . . . . . 87.8 t -90.44 116.14 31.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 109.025 -0.732 . . . . 0.3 109.025 172.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 67' ' ' ILE . . . . . . . . . . . . . 46.2 mm -70.06 125.61 28.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.117 -0.492 . . . . 0.47 111.409 -173.075 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 68' ' ' THR . . . . . . . . . . . . . 9.5 p -82.53 138.62 34.24 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.548 -0.751 . . . . 0.78 109.518 175.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 69' ' ' ASP . . . . . 0.403 ' HA ' ' NE ' ' S' ' 76' ' ' ARG . 30.7 t70 -56.53 136.31 54.32 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-O 121.222 0.534 . . . . 1.75 110.358 -178.022 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 70' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -78.83 -12.98 60.05 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 116.154 -0.475 . . . . 4.02 111.477 -171.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 71' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -95.19 -56.48 2.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.96 0.409 . . . . 2.64 110.732 177.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 72' ' ' THR . . . . . 0.423 ' O ' ' HB2' ' S' ' 73' ' ' GLN . 38.0 p -86.81 -23.21 25.43 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.959 -0.564 . . . . 1.84 112.353 -174.694 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 73' ' ' GLN . . . . . 0.423 ' HB2' ' O ' ' S' ' 72' ' ' THR . 25.7 mm-40 73.14 11.67 5.06 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.382 0.673 . . . . 2.35 111.111 -176.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 74' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -94.28 156.95 16.27 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.44 -0.578 . . . . 2.77 109.44 176.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 75' ' ' SER . . . . . . . . . . . . . 15.2 m -56.74 145.55 28.73 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.689 0.28 . . . . 1.51 111.016 -178.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 76' ' ' ARG . . . . . 0.422 ' HB3' ' CE1' ' S' ' 78' ' ' TYR . 81.8 mtt180 -100.49 -3.53 30.62 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.161 0.43 . . . . 2.54 112.161 -179.367 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 77' ' ' GLY . . . . . . . . . . . . . . . 77.16 29.45 56.59 Favored Glycine 0 CA--C 1.521 0.447 0 C-N-CA 120.522 -0.847 . . . . 0.53 113.335 177.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 78' ' ' TYR . . . . . 0.422 ' CE1' ' HB3' ' S' ' 76' ' ' ARG . 22.5 p90 -157.77 157.23 32.99 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.738 -0.468 . . . . 0.6 109.738 174.63 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 79' ' ' GLY . . . . . 0.621 ' HA3' HD22 ' S' ' 51' ' ' LEU . . . -141.04 163.14 26.71 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.303 -0.951 . . . . 0.17 112.36 -179.194 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 80' ' ' PHE . . . . . 0.406 ' CE1' ' HD1' ' S' ' 38' ' ' PHE . 97.3 m-85 -114.66 138.48 50.64 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.786 -0.45 . . . . 0.39 109.786 175.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 81' ' ' VAL . . . . . . . . . . . . . 43.5 t -121.05 125.22 73.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.151 -0.477 . . . . 0.24 110.568 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 82' ' ' THR . . . . . 0.447 ' HA ' ' O ' ' S' ' 35' ' ' THR . 17.1 m -111.38 107.03 16.14 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.213 -0.662 . . . . 0.3 109.213 175.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 83' ' ' MET . . . . . 0.651 ' HG3' ' HA ' ' S' ' 89' ' ' ALA . 93.9 mmm -82.36 158.6 23.31 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.873 -0.603 . . . . 0.72 110.23 -177.539 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 84' ' ' LYS . . . . . 0.988 ' HG2' ' HB3' ' S' ' 60' ' ' ASP . 0.0 OUTLIER -75.34 -22.04 57.91 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.346 -0.388 . . . . 2.21 111.536 -176.378 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' S' S ' 85' ' ' ASP . . . . . 0.589 ' HB2' ' HD3' ' S' ' 84' ' ' LYS . 32.7 t70 -149.72 159.55 44.25 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 110.079 -0.341 . . . . 1.85 110.079 -175.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 86' ' ' ARG . . . . . 0.485 ' O ' ' HG2' ' S' ' 90' ' ' GLU . 60.5 ttt180 -67.5 -38.05 83.73 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 111.88 0.326 . . . . 3.96 111.88 -177.379 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.89 -50.15 74.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.79 0.329 . . . . 0.62 111.25 -174.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 88' ' ' SER . . . . . . . . . . . . . 3.0 p -65.83 -36.22 82.87 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.841 0.353 . . . . 0.88 110.857 177.095 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 89' ' ' ALA . . . . . 0.651 ' HA ' ' HG3' ' S' ' 83' ' ' MET . . . -61.06 -54.92 38.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.995 -0.548 . . . . 0.35 111.8 178.168 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 90' ' ' GLU . . . . . 0.485 ' HG2' ' O ' ' S' ' 86' ' ' ARG . 22.2 pt-20 -71.85 -22.52 61.52 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 121.074 -0.251 . . . . 1.85 110.994 -177.367 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 91' ' ' ARG . . . . . . . . . . . . . 68.6 ttt180 -61.08 -42.9 99.37 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.992 0.425 . . . . 2.92 110.077 173.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.76 -31.95 68.93 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.866 -0.607 . . . . 0.47 110.493 177.124 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 93' ' ' CYS . . . . . . . . . . . . . 44.3 t -75.31 -10.24 59.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.943 -0.571 . . . . 1.35 111.207 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 94' ' ' LYS . . . . . 0.416 ' HB3' ' HE3' ' S' ' 94' ' ' LYS . 24.5 mmmt -64.4 -22.1 66.85 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.642 -0.254 . . . . 2.95 110.983 175.477 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 95' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -114.47 101.04 54.0 Favored Pre-proline 0 C--N 1.327 -0.379 0 N-CA-C 109.505 -0.554 . . . . 2.13 109.505 176.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 96' ' ' PRO . . . . . 0.436 ' O ' ' HA ' ' S' ' 106' ' ' ASN . 67.4 Cg_endo -74.85 -24.89 12.71 Favored 'Trans proline' 0 N--CA 1.46 -0.49 0 C-N-CA 122.509 2.139 . . . . 0.76 113.334 -175.044 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 97' ' ' ASN . . . . . 0.585 ' HA ' ' O ' ' S' ' 105' ' ' ALA . 10.5 m120 -137.97 74.09 44.5 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 120.658 0.266 . . . . 1.08 111.061 -175.104 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 98' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -84.53 156.33 12.28 Favored 'Trans proline' 0 N--CA 1.457 -0.675 0 C-N-CA 122.969 2.446 . . . . 0.53 111.811 177.383 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 99' ' ' ILE . . . . . . . . . . . . . 44.8 mm -90.35 100.73 11.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 116.076 -0.511 . . . . 0.51 110.064 177.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 100' ' ' ILE . . . . . . . . . . . . . 49.6 mt -107.15 116.79 51.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 116.215 -0.448 . . . . 0.57 109.862 179.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 101' ' ' ASP . . . . . 0.511 ' HB3' ' HG2' ' S' ' 43' ' ' PRO . 34.3 t70 59.87 22.63 11.6 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 115.276 -0.875 . . . . 1.4 111.323 177.028 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 102' ' ' GLY . . . . . . . . . . . . . . . 98.55 4.6 57.1 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.695 -0.764 . . . . 0.82 113.306 175.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 103' ' ' ARG . . . . . 0.524 ' HE ' ' HA ' ' S' ' 103' ' ' ARG . 0.0 OUTLIER -123.35 152.81 41.12 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 117.482 0.641 . . . . 3.11 110.799 179.912 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' S' S ' 104' ' ' LYS . . . . . . . . . . . . . 39.5 mtpt -80.11 111.06 16.1 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-N 116.265 -0.425 . . . . 1.98 110.77 175.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 105' ' ' ALA . . . . . 0.585 ' O ' ' HA ' ' S' ' 97' ' ' ASN . . . -93.8 161.83 14.17 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.762 -0.654 . . . . 0.33 110.097 177.032 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 106' ' ' ASN . . . . . 0.436 ' HA ' ' O ' ' S' ' 96' ' ' PRO . 7.3 t30 -117.12 109.68 17.24 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 109.004 -0.739 . . . . 1.99 109.004 176.078 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 107' ' ' VAL . . . . . . . . . . . . . 88.7 t -107.65 126.48 64.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.878 -0.601 . . . . 0.33 110.087 -177.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 108' ' ' ASN . . . . . . . . . . . . . 29.5 p-10 -168.84 170.05 9.44 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.098 -0.501 . . . . 1.76 110.481 177.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 109' ' ' LEU . . . . . 0.446 HD13 ' HE2' ' S' ' 111' ' ' TYR . 92.6 mt -70.78 123.24 21.48 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.208 -0.451 . . . . 0.57 110.151 178.472 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.8 -29.77 70.97 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 113.057 0.762 . . . . 0.66 113.057 -170.175 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 111' ' ' TYR . . . . . 0.446 ' HE2' HD13 ' S' ' 109' ' ' LEU . 31.4 p90 . . . . . 0 C--N 1.328 -0.361 0 C-N-CA 120.983 -0.287 . . . . 1.25 111.407 -175.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 88.3 mtp . . . . . 0 N--CA 1.454 -0.26 0 CA-C-O 120.979 0.418 . . . . 1.39 110.36 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' S' S ' 34' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -97.92 3.46 49.65 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.805 -0.634 . . . . 0.97 111.553 -176.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 35' ' ' THR . . . . . . . . . . . . . 7.1 p -114.53 -11.79 12.38 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.037 0.446 . . . . 0.55 110.875 -178.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 36' ' ' LYS . . . . . . . . . . . . . 73.5 tttt -102.47 115.45 30.61 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.027 -0.533 . . . . 1.95 110.084 -177.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 37' ' ' ILE . . . . . . . . . . . . . 66.9 mt -96.3 131.38 43.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.796 -0.638 . . . . 0.41 110.797 -178.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 38' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -97.17 116.47 29.43 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.577 -0.738 . . . . 0.45 109.147 173.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 39' ' ' VAL . . . . . . . . . . . . . 18.3 t -112.34 109.42 28.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 120.991 0.424 . . . . 0.2 110.657 -178.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 40' ' ' GLY . . . . . . . . . . . . . . . -109.14 168.08 13.2 Favored Glycine 0 N--CA 1.443 -0.891 0 C-N-CA 120.948 -0.644 . . . . 0.27 111.727 178.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.98 17.2 63.6 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.831 -0.699 . . . . 0.49 112.566 179.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 42' ' ' LEU . . . . . . . . . . . . . 92.7 mt -82.1 145.79 53.65 Favored Pre-proline 0 C--N 1.328 -0.362 0 O-C-N 122.796 -0.238 . . . . 0.6 110.433 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 43' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.15 160.19 8.71 Favored 'Trans proline' 0 CA--C 1.532 0.399 0 C-N-CA 122.552 2.168 . . . . 0.55 112.402 175.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 44' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -75.52 1.84 13.19 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 113.389 0.885 . . . . 2.41 113.389 -165.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 45' ' ' HIS . . . . . . . . . . . . . 7.9 p80 -140.83 13.19 2.28 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 121.73 -0.607 . . . . 2.31 110.962 178.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 46' ' ' THR . . . . . . . . . . . . . 86.9 m -76.15 114.82 15.24 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 108.995 -0.743 . . . . 0.53 108.995 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 47' ' ' SER . . . . . . . . . . . . . 50.4 m -97.45 -177.27 3.76 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.185 0.517 . . . . 0.68 111.996 -171.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 48' ' ' ASP . . . . . 0.401 ' CB ' ' HA ' ' S' ' 65' ' ' VAL . 7.8 p-10 -59.88 -38.24 81.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.058 -0.974 . . . . 1.29 111.994 -174.064 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 49' ' ' LYS . . . . . 0.48 ' HG3' ' N ' ' S' ' 50' ' ' THR . 5.0 ptpp? -59.24 -33.55 71.15 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.876 0.369 . . . . 2.5 110.837 -178.436 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 50' ' ' THR . . . . . 0.48 ' N ' ' HG3' ' S' ' 49' ' ' LYS . 7.9 m -76.6 -47.91 20.87 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.126 -0.488 . . . . 0.43 110.809 -177.205 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 51' ' ' LEU . . . . . . . . . . . . . 21.1 tp -64.22 -42.59 96.5 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.418 -0.355 . . . . 0.46 110.92 -179.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 52' ' ' HIS . . . . . . . . . . . . . 11.2 t-80 -61.36 -52.2 65.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.08 -0.509 . . . . 0.55 110.873 178.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 53' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -60.31 -30.04 69.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 2.24 111.643 -175.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 54' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -74.54 -49.96 19.93 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.395 -0.366 . . . . 0.55 111.469 -179.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 55' ' ' PHE . . . . . 0.448 ' HA ' ' HD2' ' S' ' 58' ' ' PHE . 38.9 m-85 -78.03 -20.77 51.81 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.655 0.613 . . . . 0.5 112.655 -173.396 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 56' ' ' GLU . . . . . 0.415 ' HA ' ' O ' ' S' ' 59' ' ' GLY . 30.3 tt0 -64.49 -20.7 66.36 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.244 0.545 . . . . 1.47 110.748 -179.435 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 57' ' ' GLN . . . . . . . . . . . . . 34.0 tp60 -62.7 -32.14 73.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.566 -0.743 . . . . 2.98 110.711 173.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 58' ' ' PHE . . . . . 0.448 ' HD2' ' HA ' ' S' ' 55' ' ' PHE . 85.6 m-85 -89.0 -12.23 42.0 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.818 0.342 . . . . 0.65 111.035 -177.034 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 59' ' ' GLY . . . . . 0.415 ' O ' ' HA ' ' S' ' 56' ' ' GLU . . . 160.94 167.92 22.08 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.693 -0.765 . . . . 0.44 112.095 179.003 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 60' ' ' ASP . . . . . 0.623 ' HB2' ' HD2' ' S' ' 84' ' ' LYS . 3.6 m-20 -68.02 144.84 54.96 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 110.143 -0.318 . . . . 1.99 110.143 -179.387 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 61' ' ' ILE . . . . . . . . . . . . . 75.3 mt -118.71 139.28 46.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.996 0.427 . . . . 0.43 111.493 -172.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 62' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -76.65 -55.61 5.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.003 -0.544 . . . . 1.91 110.148 173.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 63' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -161.94 120.71 2.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.682 -0.69 . . . . 1.81 110.489 -176.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 64' ' ' ALA . . . . . 0.503 ' HB2' HG13 ' S' ' 81' ' ' VAL . . . -126.18 110.17 13.17 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.935 -0.575 . . . . 0.38 110.617 178.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 65' ' ' VAL . . . . . 0.401 ' HA ' ' CB ' ' S' ' 48' ' ' ASP . 33.9 m -131.16 142.96 42.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.824 0.345 . . . . 0.36 111.017 -177.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 66' ' ' VAL . . . . . 0.464 HG13 ' O ' ' S' ' 78' ' ' TYR . 94.3 t -95.49 123.03 47.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 108.616 -0.883 . . . . 0.3 108.616 172.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 67' ' ' ILE . . . . . . . . . . . . . 49.3 mm -68.97 126.72 29.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.048 -0.524 . . . . 0.47 111.48 -170.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 68' ' ' THR . . . . . . . . . . . . . 4.7 p -99.93 131.84 45.65 Favored 'General case' 0 N--CA 1.443 -0.817 0 CA-C-N 115.349 -0.842 . . . . 0.78 109.39 176.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 69' ' ' ASP . . . . . 0.499 ' HB3' ' OG1' ' S' ' 72' ' ' THR . 28.3 t70 -64.25 148.18 50.74 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.322 -0.399 . . . . 1.75 110.904 -176.357 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 70' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 -73.35 -22.75 60.22 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.187 -0.46 . . . . 4.02 111.629 -174.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 71' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -94.85 -52.02 4.44 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.505 -0.316 . . . . 2.64 111.07 -178.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 72' ' ' THR . . . . . 0.499 ' OG1' ' HB3' ' S' ' 69' ' ' ASP . 39.9 p -82.78 -23.75 33.74 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.347 -0.388 . . . . 1.84 111.75 -176.298 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 73' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 58.64 30.5 19.97 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 121.315 0.579 . . . . 2.35 111.316 -177.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 74' ' ' LYS . . . . . . . . . . . . . 58.8 mttp -124.95 168.56 13.13 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.321 -0.854 . . . . 2.77 109.913 178.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 75' ' ' SER . . . . . . . . . . . . . 37.1 m -60.41 130.84 48.62 Favored 'General case' 0 C--N 1.329 -0.316 0 O-C-N 123.735 0.647 . . . . 1.51 111.388 -177.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 76' ' ' ARG . . . . . . . . . . . . . 86.4 mtt180 -84.82 6.64 23.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.008 0.432 . . . . 2.54 111.162 176.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 77' ' ' GLY . . . . . . . . . . . . . . . 81.41 17.41 71.36 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.503 -0.856 . . . . 0.53 112.902 175.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 78' ' ' TYR . . . . . 0.464 ' O ' HG13 ' S' ' 66' ' ' VAL . 22.1 p90 -152.48 153.97 34.57 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 110.022 -0.362 . . . . 0.6 110.022 176.588 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 79' ' ' GLY . . . . . . . . . . . . . . . -142.5 165.08 26.86 Favored Glycine 0 N--CA 1.445 -0.735 0 C-N-CA 120.807 -0.711 . . . . 0.17 112.0 179.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 80' ' ' PHE . . . . . 0.497 ' O ' ' HA ' ' S' ' 64' ' ' ALA . 88.9 m-85 -117.67 134.93 54.37 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.899 -0.408 . . . . 0.39 109.899 178.599 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 81' ' ' VAL . . . . . 0.503 HG13 ' HB2' ' S' ' 64' ' ' ALA . 48.4 t -123.17 109.16 22.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.324 -0.398 . . . . 0.24 110.578 -179.791 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 82' ' ' THR . . . . . . . . . . . . . 20.8 m -90.91 112.77 24.76 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 109.233 -0.654 . . . . 0.3 109.233 177.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 83' ' ' MET . . . . . 0.557 ' HG3' ' HA ' ' S' ' 89' ' ' ALA . 94.6 mmm -85.23 165.09 17.65 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 123.366 0.416 . . . . 0.72 110.629 -177.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 84' ' ' LYS . . . . . 0.623 ' HD2' ' HB2' ' S' ' 60' ' ' ASP . 13.8 ptmm? -63.42 -41.55 98.71 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.876 -0.602 . . . . 2.21 110.963 179.127 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 85' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -137.88 170.36 16.19 Favored 'General case' 0 CA--C 1.511 -0.541 0 CA-C-N 115.437 -0.801 . . . . 1.85 110.162 -175.073 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 86' ' ' ARG . . . . . . . . . . . . . 36.4 ptt180 -74.38 -22.98 58.93 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.468 -0.787 . . . . 3.96 109.752 173.116 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 87' ' ' ALA . . . . . . . . . . . . . . . -75.83 -38.98 57.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.62 110.899 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 88' ' ' SER . . . . . . . . . . . . . 29.5 p -70.61 -39.41 73.77 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.261 -0.644 . . . . 0.88 109.261 175.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 89' ' ' ALA . . . . . 0.557 ' HA ' ' HG3' ' S' ' 83' ' ' MET . . . -56.56 -49.05 75.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.163 -0.926 . . . . 0.35 111.053 174.081 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 90' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -55.94 -41.61 74.92 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 116.338 -0.392 . . . . 1.85 111.394 177.122 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 91' ' ' ARG . . . . . . . . . . . . . 37.4 ttp180 -68.26 -22.97 64.72 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.347 -0.388 . . . . 2.92 110.792 -177.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 92' ' ' ALA . . . . . . . . . . . . . . . -89.69 -32.27 17.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.175 -0.466 . . . . 0.47 111.024 176.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 93' ' ' CYS . . . . . . . . . . . . . 52.4 m -93.79 7.89 43.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.172 0.51 . . . . 1.35 110.892 -178.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 94' ' ' LYS . . . . . . . . . . . . . 14.2 tppt? -67.94 -11.57 59.05 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.747 -0.66 . . . . 2.95 110.969 179.062 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 95' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -129.13 115.39 18.73 Favored Pre-proline 0 C--N 1.323 -0.573 0 N-CA-C 108.903 -0.777 . . . . 2.13 108.903 171.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 96' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -69.55 -25.58 29.45 Favored 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 122.433 2.089 . . . . 0.76 113.389 -175.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 97' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -136.31 75.34 52.69 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-O 120.611 0.243 . . . . 1.08 111.47 -175.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 98' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -87.94 161.2 7.44 Favored 'Trans proline' 0 N--CA 1.452 -0.964 0 C-N-CA 122.61 2.207 . . . . 0.53 111.62 176.114 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 99' ' ' ILE . . . . . . . . . . . . . 52.0 mm -90.81 107.34 18.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.132 -0.485 . . . . 0.51 110.247 178.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 100' ' ' ILE . . . . . . . . . . . . . 47.6 mt -112.74 116.76 53.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.908 -0.587 . . . . 0.57 110.238 -177.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 101' ' ' ASP . . . . . . . . . . . . . 24.8 t0 63.55 26.12 14.62 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.858 0.837 . . . . 1.4 110.544 175.177 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 102' ' ' GLY . . . . . . . . . . . . . . . 88.43 10.16 68.42 Favored Glycine 0 N--CA 1.449 -0.444 0 CA-C-N 115.587 -0.733 . . . . 0.82 112.619 178.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 103' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' S' ' 103' ' ' ARG . 3.6 tpt180 -127.92 140.34 52.06 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.66 0.267 . . . . 3.11 110.492 -177.712 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 104' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -78.49 111.68 14.78 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 110.011 -0.366 . . . . 1.98 110.011 176.109 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 105' ' ' ALA . . . . . . . . . . . . . . . -106.88 165.71 11.13 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.011 -0.54 . . . . 0.33 111.178 -175.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 106' ' ' ASN . . . . . . . . . . . . . 62.4 m-80 -112.0 118.08 34.46 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.932 -0.576 . . . . 1.99 109.673 177.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 107' ' ' VAL . . . . . . . . . . . . . 55.9 t -109.13 128.26 65.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.299 -0.41 . . . . 0.33 110.61 -177.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 108' ' ' ASN . . . . . . . . . . . . . 58.6 t30 -160.17 164.31 32.98 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.655 -0.498 . . . . 1.76 109.655 -178.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 109' ' ' LEU . . . . . . . . . . . . . 97.6 mt -75.03 143.81 43.35 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 120.675 0.274 . . . . 0.57 110.627 178.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.5 -26.55 68.61 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.886 0.699 . . . . 0.66 112.886 -173.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 111' ' ' TYR . . . . . . . . . . . . . 7.2 p90 . . . . . 0 C--N 1.33 -0.281 0 C-N-CA 120.388 -0.525 . . . . 1.25 110.392 -178.306 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 54.7 ttp . . . . . 0 C--O 1.232 0.151 0 CA-C-O 121.016 0.436 . . . . 1.39 110.957 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' S' S ' 34' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -106.18 5.9 30.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.193 -0.458 . . . . 0.97 111.727 -178.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 35' ' ' THR . . . . . 0.543 ' HB ' ' O ' ' S' ' 83' ' ' MET . 69.2 p -123.06 -17.0 6.84 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.318 0.58 . . . . 0.55 110.365 -178.002 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 36' ' ' LYS . . . . . . . . . . . . . 49.7 tttm -87.22 104.06 16.02 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.217 -0.901 . . . . 1.95 109.673 178.224 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 37' ' ' ILE . . . . . 0.452 HG12 HD23 ' S' ' 109' ' ' LEU . 42.4 mt -96.7 143.73 11.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.576 -0.738 . . . . 0.41 111.271 -177.104 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 38' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -100.61 129.02 46.48 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.013 -0.539 . . . . 0.45 109.792 176.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 39' ' ' VAL . . . . . 0.595 HG13 HG22 ' S' ' 107' ' ' VAL . 21.7 t -122.3 101.45 9.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 109.916 -0.401 . . . . 0.2 109.916 179.431 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 40' ' ' GLY . . . . . . . . . . . . . . . -108.72 167.52 13.12 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.492 -0.861 . . . . 0.27 111.881 -178.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 41' ' ' GLY . . . . . . . . . . . . . . . 86.08 15.53 64.7 Favored Glycine 0 N--CA 1.453 -0.18 0 C-N-CA 120.819 -0.705 . . . . 0.49 112.273 177.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 42' ' ' LEU . . . . . . . . . . . . . 97.1 mt -80.87 155.56 72.94 Favored Pre-proline 0 C--N 1.323 -0.549 0 N-CA-C 110.263 -0.273 . . . . 0.6 110.263 -178.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 43' ' ' PRO . . . . . 0.705 ' HG3' ' HG2' ' S' ' 103' ' ' ARG . 6.7 Cg_exo -70.95 165.53 32.01 Favored 'Trans proline' 0 N--CA 1.455 -0.792 0 C-N-CA 122.301 2.001 . . . . 0.55 111.4 172.739 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 44' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -78.95 -5.41 53.68 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.217 0.532 . . . . 2.41 109.928 -178.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 45' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 -90.74 -11.99 37.93 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.039 -0.982 . . . . 2.31 109.831 -176.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 46' ' ' THR . . . . . 0.581 ' OG1' ' HD2' ' S' ' 43' ' ' PRO . 43.3 m -78.72 117.03 19.47 Favored 'General case' 0 N--CA 1.44 -0.949 0 CA-C-N 115.958 -0.564 . . . . 0.53 110.201 -173.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 47' ' ' SER . . . . . . . . . . . . . 6.3 m -94.33 169.46 10.21 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.218 -0.446 . . . . 0.68 110.431 -178.426 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 48' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -56.0 -42.63 76.71 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.277 0.56 . . . . 1.29 109.951 178.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 49' ' ' LYS . . . . . . . . . . . . . 46.7 pttt -58.37 -35.52 72.1 Favored 'General case' 0 C--O 1.225 -0.216 0 CA-C-N 115.227 -0.897 . . . . 2.5 111.245 176.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 50' ' ' THR . . . . . . . . . . . . . 19.1 m -73.19 -44.16 60.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.413 -0.358 . . . . 0.43 110.847 -175.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 51' ' ' LEU . . . . . 0.538 HD22 ' HA3' ' S' ' 79' ' ' GLY . 34.0 tp -58.51 -44.35 89.43 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 120.942 0.401 . . . . 0.46 109.943 175.496 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 52' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -62.75 -51.99 64.96 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.842 -0.617 . . . . 0.55 110.678 177.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 53' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -54.9 -41.63 71.18 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.679 -0.691 . . . . 2.24 111.715 -176.128 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 54' ' ' TYR . . . . . 0.467 ' O ' ' HG2' ' S' ' 57' ' ' GLN . 87.1 t80 -70.26 -43.38 70.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.774 0.321 . . . . 0.55 111.684 -177.73 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 55' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -83.53 -19.36 35.82 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 111.921 0.341 . . . . 0.5 111.921 -175.289 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 56' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -52.35 -27.78 16.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.87 -0.605 . . . . 1.47 111.643 177.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 57' ' ' GLN . . . . . 0.467 ' HG2' ' O ' ' S' ' 54' ' ' TYR . 16.4 mm-40 -61.34 -35.12 76.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.531 0.681 . . . . 2.98 110.586 -177.742 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 58' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -83.54 -33.69 25.42 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.32 -0.855 . . . . 0.65 112.544 -173.208 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 59' ' ' GLY . . . . . . . . . . . . . . . 173.72 -175.02 46.39 Favored Glycine 0 C--O 1.229 -0.173 0 C-N-CA 119.914 -1.136 . . . . 0.44 113.041 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 60' ' ' ASP . . . . . 0.779 ' HB2' ' HG2' ' S' ' 84' ' ' LYS . 3.5 m-20 -67.67 141.48 56.67 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-O 120.821 0.343 . . . . 1.99 110.559 -178.558 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 61' ' ' ILE . . . . . 0.527 HG21 ' HB2' ' S' ' 64' ' ' ALA . 60.1 mt -120.66 128.85 76.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.805 -0.634 . . . . 0.43 110.607 -178.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 62' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -79.11 -49.6 12.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.174 -0.466 . . . . 1.91 110.078 177.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 63' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -146.05 127.37 14.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.866 -0.606 . . . . 1.81 110.582 -177.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 64' ' ' ALA . . . . . 0.527 ' HB2' HG21 ' S' ' 61' ' ' ILE . . . -139.31 107.43 5.74 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.862 -0.422 . . . . 0.38 109.862 177.446 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 65' ' ' VAL . . . . . . . . . . . . . 29.9 m -136.87 149.86 26.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.137 -0.483 . . . . 0.36 111.284 -177.007 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 66' ' ' VAL . . . . . . . . . . . . . 99.4 t -103.84 111.84 35.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 109.001 -0.74 . . . . 0.3 109.001 174.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 67' ' ' ILE . . . . . . . . . . . . . 47.3 mm -69.06 128.18 32.12 Favored 'Isoleucine or valine' 0 C--O 1.238 0.499 0 CA-C-N 115.994 -0.548 . . . . 0.47 112.076 -168.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 68' ' ' THR . . . . . . . . . . . . . 15.3 p -99.63 160.98 13.89 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.589 -0.732 . . . . 0.78 109.803 174.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 69' ' ' ASP . . . . . 0.458 ' O ' ' HA ' ' S' ' 73' ' ' GLN . 23.9 t70 -84.88 150.24 25.12 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.962 -0.384 . . . . 1.75 109.962 178.454 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 70' ' ' ARG . . . . . . . . . . . . . 22.2 mtm180 -78.73 -32.58 46.86 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.933 -0.307 . . . . 4.02 111.604 -175.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 71' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -86.96 -34.27 19.36 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.669 0.271 . . . . 2.64 111.27 -174.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 72' ' ' THR . . . . . 0.436 ' OG1' ' HB3' ' S' ' 69' ' ' ASP . 60.1 p -99.25 -26.21 14.25 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.868 -0.333 . . . . 1.84 111.235 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 73' ' ' GLN . . . . . 0.458 ' HA ' ' O ' ' S' ' 69' ' ' ASP . 15.9 mm-40 61.02 23.35 13.52 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.731 -0.668 . . . . 2.35 111.633 -176.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 74' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -103.88 158.76 16.18 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.638 -0.71 . . . . 2.77 109.239 175.062 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 75' ' ' SER . . . . . . . . . . . . . 1.7 p -66.28 132.61 48.79 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.786 0.326 . . . . 1.51 110.825 179.158 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 76' ' ' ARG . . . . . 0.552 ' HD2' ' HE1' ' S' ' 78' ' ' TYR . 92.0 mtt180 -79.64 -17.38 53.9 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.284 -0.416 . . . . 2.54 110.583 -178.391 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 77' ' ' GLY . . . . . . . . . . . . . . . 97.53 30.7 7.13 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.91 -0.662 . . . . 0.53 112.696 178.124 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 78' ' ' TYR . . . . . 0.552 ' HE1' ' HD2' ' S' ' 76' ' ' ARG . 19.0 p90 -161.06 156.93 25.31 Favored 'General case' 0 C--N 1.329 -0.318 0 O-C-N 122.574 -0.368 . . . . 0.6 110.134 177.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 79' ' ' GLY . . . . . 0.538 ' HA3' HD22 ' S' ' 51' ' ' LEU . . . -142.29 171.08 24.78 Favored Glycine 0 N--CA 1.447 -0.577 0 CA-C-N 115.972 -0.558 . . . . 0.17 112.172 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 80' ' ' PHE . . . . . 0.468 ' CE2' ' HE2' ' S' ' 78' ' ' TYR . 91.0 m-85 -120.25 135.72 54.9 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 110.393 -0.225 . . . . 0.39 110.393 176.419 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 81' ' ' VAL . . . . . . . . . . . . . 58.8 t -120.65 107.91 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 109.924 -0.399 . . . . 0.24 109.924 177.103 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 82' ' ' THR . . . . . . . . . . . . . 10.6 m -97.1 107.99 20.63 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 109.179 -0.674 . . . . 0.3 109.179 177.054 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 83' ' ' MET . . . . . 0.69 ' SD ' ' HA ' ' S' ' 89' ' ' ALA . 52.6 mtp -91.41 162.1 14.72 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.956 -0.387 . . . . 0.72 109.956 -178.276 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 84' ' ' LYS . . . . . 0.928 ' HD2' ' HB3' ' S' ' 85' ' ' ASP . 0.0 OUTLIER -72.02 -16.22 62.05 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 113.186 0.81 . . . . 2.21 113.186 -170.343 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' S' S ' 85' ' ' ASP . . . . . 0.928 ' HB3' ' HD2' ' S' ' 84' ' ' LYS . 0.0 OUTLIER -157.2 160.65 38.92 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.629 0.252 . . . . 1.85 110.721 -177.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' S' S ' 86' ' ' ARG . . . . . 0.491 ' O ' ' HG3' ' S' ' 90' ' ' GLU . 17.9 ttp180 -65.67 -41.22 92.75 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.917 -0.583 . . . . 3.96 111.429 -175.49 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.18 -45.1 93.33 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 120.759 0.314 . . . . 0.62 111.076 -175.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 88' ' ' SER . . . . . . . . . . . . . 8.8 p -66.86 -38.74 86.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.88 110.651 176.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 89' ' ' ALA . . . . . 0.69 ' HA ' ' SD ' ' S' ' 83' ' ' MET . . . -60.07 -45.73 91.92 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 116.195 -0.457 . . . . 0.35 110.751 177.074 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 90' ' ' GLU . . . . . 0.572 ' O ' ' HG2' ' S' ' 94' ' ' LYS . 52.0 mt-10 -65.86 -31.89 73.09 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 116.334 -0.394 . . . . 1.85 110.31 178.474 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 91' ' ' ARG . . . . . . . . . . . . . 44.6 ttt180 -62.21 -32.42 73.08 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.709 -0.478 . . . . 2.92 109.709 177.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 92' ' ' ALA . . . . . . . . . . . . . . . -84.32 -33.98 23.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.823 -0.626 . . . . 0.47 110.425 177.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 93' ' ' CYS . . . . . . . . . . . . . 18.2 t -80.63 1.18 30.97 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.729 -0.668 . . . . 1.35 111.084 -178.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 94' ' ' LYS . . . . . 0.572 ' HG2' ' O ' ' S' ' 90' ' ' GLU . 37.4 mmtm -67.29 -16.05 64.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.318 -0.401 . . . . 2.95 111.457 175.538 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 95' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -122.03 96.38 46.73 Favored Pre-proline 0 C--N 1.324 -0.502 0 N-CA-C 109.363 -0.606 . . . . 2.13 109.363 177.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 96' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -74.52 -29.7 8.84 Favored 'Trans proline' 0 N--CA 1.463 -0.286 0 C-N-CA 122.531 2.154 . . . . 0.76 113.383 -174.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 97' ' ' ASN . . . . . 0.549 ' HA ' ' O ' ' S' ' 105' ' ' ALA . 14.3 m120 -126.43 70.7 70.92 Favored Pre-proline 0 C--O 1.235 0.312 0 CA-C-O 120.781 0.324 . . . . 1.08 111.344 -177.675 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 98' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_endo -85.4 165.23 10.9 Favored 'Trans proline' 0 N--CA 1.454 -0.822 0 C-N-CA 123.128 2.552 . . . . 0.53 112.327 -178.438 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 99' ' ' ILE . . . . . . . . . . . . . 45.1 mm -96.91 102.89 14.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 N-CA-C 109.26 -0.645 . . . . 0.51 109.26 175.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 100' ' ' ILE . . . . . . . . . . . . . 56.8 mt -118.54 115.61 48.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.366 -0.379 . . . . 0.57 110.568 -175.206 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 101' ' ' ASP . . . . . 0.468 ' HB3' ' HG2' ' S' ' 43' ' ' PRO . 24.1 t0 63.78 20.52 12.26 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 115.46 -0.791 . . . . 1.4 110.63 173.474 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 102' ' ' GLY . . . . . . . . . . . . . . . 107.76 -17.46 35.83 Favored Glycine 0 C--N 1.332 0.308 0 CA-C-N 115.688 -0.687 . . . . 0.82 113.33 176.116 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 103' ' ' ARG . . . . . 0.705 ' HG2' ' HG3' ' S' ' 43' ' ' PRO . 27.0 mmm180 -108.47 148.24 30.5 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 117.12 0.46 . . . . 3.11 111.211 -179.566 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 104' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm -80.58 113.64 18.91 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.029 -0.73 . . . . 1.98 109.029 171.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 105' ' ' ALA . . . . . 0.549 ' O ' ' HA ' ' S' ' 97' ' ' ASN . . . -93.61 165.41 12.74 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.587 -0.733 . . . . 0.33 111.031 -174.533 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 106' ' ' ASN . . . . . . . . . . . . . 40.2 t-20 -117.85 108.75 15.71 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.524 -0.917 . . . . 1.99 108.524 174.426 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 107' ' ' VAL . . . . . 0.595 HG22 HG13 ' S' ' 39' ' ' VAL . 48.5 t -106.41 126.51 62.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.914 -0.584 . . . . 0.33 110.088 -177.463 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 108' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -160.3 147.6 16.13 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.018 -0.537 . . . . 1.76 109.669 -177.086 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 109' ' ' LEU . . . . . 0.452 HD23 HG12 ' S' ' 37' ' ' ILE . 93.2 mt -57.38 135.15 56.52 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.843 0.354 . . . . 0.57 110.633 -179.572 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 110' ' ' ALA . . . . . . . . . . . . . . . -68.13 -11.32 58.94 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 113.716 1.006 . . . . 0.66 113.716 -167.45 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 111' ' ' TYR . . . . . . . . . . . . . 21.7 p90 . . . . . 0 C--N 1.327 -0.383 0 C-N-CA 120.028 -0.669 . . . . 1.25 110.07 177.052 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 60.6 mtm . . . . . 0 CA--C 1.526 0.051 0 CA-C-O 120.681 0.277 . . . . 1.39 111.168 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' S' S ' 34' ' ' PHE . . . . . 0.485 ' HB2' ' HG2' ' S' ' 86' ' ' ARG . 29.9 m-85 -109.27 19.18 19.7 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.312 -0.404 . . . . 0.97 111.39 -176.627 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 35' ' ' THR . . . . . 0.462 ' O ' ' HA ' ' S' ' 82' ' ' THR . 7.2 p -132.31 -36.66 1.12 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.68 0.276 . . . . 0.55 111.086 178.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 36' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -83.97 103.48 13.26 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.398 0.618 . . . . 1.95 110.562 178.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 37' ' ' ILE . . . . . . . . . . . . . 55.3 mt -96.69 145.53 8.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.58 -0.736 . . . . 0.41 110.84 -177.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 38' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -99.26 123.35 43.47 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.927 -0.579 . . . . 0.45 109.789 176.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 39' ' ' VAL . . . . . . . . . . . . . 26.1 t -119.28 108.91 24.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 120.699 0.285 . . . . 0.2 110.58 -179.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 40' ' ' GLY . . . . . . . . . . . . . . . -106.39 161.39 14.15 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 121.0 -0.619 . . . . 0.27 111.693 179.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 41' ' ' GLY . . . . . . . . . . . . . . . 96.5 24.9 12.89 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.445 -0.884 . . . . 0.49 112.227 177.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 42' ' ' LEU . . . . . 0.432 ' O ' ' HA2' ' S' ' 77' ' ' GLY . 90.4 mt -91.66 136.57 26.39 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-O 120.807 0.337 . . . . 0.6 110.241 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 43' ' ' PRO . . . . . 0.434 ' HD2' ' OG1' ' S' ' 46' ' ' THR . 34.1 Cg_exo -60.42 163.09 15.8 Favored 'Trans proline' 0 CA--C 1.534 0.497 0 C-N-CA 122.77 2.313 . . . . 0.55 112.215 173.396 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 44' ' ' TYR . . . . . 0.574 ' HA ' ' HB2' ' S' ' 75' ' ' SER . 23.8 m-85 -76.4 -13.85 60.1 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.898 -0.592 . . . . 2.41 111.925 -172.074 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 45' ' ' HIS . . . . . . . . . . . . . 2.4 p80 -104.45 10.08 35.37 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.16 0.505 . . . . 2.31 110.226 -179.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 46' ' ' THR . . . . . 0.531 HG23 ' HB ' ' S' ' 50' ' ' THR . 96.8 m -85.18 122.01 28.76 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.654 -0.703 . . . . 0.53 110.045 178.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 47' ' ' SER . . . . . . . . . . . . . 6.3 m -103.75 175.53 5.45 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.172 -0.467 . . . . 0.68 111.108 -176.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 48' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -50.93 -44.41 60.26 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.558 -0.747 . . . . 1.29 110.83 177.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 49' ' ' LYS . . . . . . . . . . . . . 7.2 ptpp? -60.91 -34.18 74.28 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.228 -0.896 . . . . 2.5 111.964 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 50' ' ' THR . . . . . 0.531 ' HB ' HG23 ' S' ' 46' ' ' THR . 3.8 m -71.51 -45.88 61.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.06 0.457 . . . . 0.43 110.3 -178.355 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 51' ' ' LEU . . . . . . . . . . . . . 32.6 tp -62.3 -43.72 98.17 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.832 -0.622 . . . . 0.46 110.551 176.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 52' ' ' HIS . . . . . . . . . . . . . 51.5 t-80 -61.46 -44.71 96.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.676 -0.693 . . . . 0.55 110.402 178.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 53' ' ' GLU . . . . . . . . . . . . . 18.4 tp10 -49.04 -49.84 39.24 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.558 -0.747 . . . . 2.24 111.446 178.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 54' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -69.16 -42.71 75.56 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.885 -0.598 . . . . 0.55 111.753 -173.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 55' ' ' PHE . . . . . 0.599 ' HA ' ' HD2' ' S' ' 58' ' ' PHE . 47.6 m-85 -83.47 -20.64 33.64 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.639 0.607 . . . . 0.5 112.639 -173.7 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 56' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -65.88 -18.7 65.51 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 121.371 0.605 . . . . 1.47 109.745 176.372 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 57' ' ' GLN . . . . . . . . . . . . . 14.2 tp60 -66.71 -32.75 74.26 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.509 -0.769 . . . . 2.98 110.729 172.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 58' ' ' PHE . . . . . 0.599 ' HD2' ' HA ' ' S' ' 55' ' ' PHE . 98.1 m-85 -82.17 -36.66 27.14 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.604 -0.271 . . . . 0.65 110.993 -178.021 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 59' ' ' GLY . . . . . . . . . . . . . . . 167.39 -168.2 40.37 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.584 -0.817 . . . . 0.44 112.794 178.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 60' ' ' ASP . . . . . 0.902 ' HB2' ' HB2' ' S' ' 84' ' ' LYS . 0.8 OUTLIER -61.18 143.87 54.74 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 123.009 0.524 . . . . 1.99 111.421 -179.022 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' S' S ' 61' ' ' ILE . . . . . 0.54 HG21 ' HB2' ' S' ' 64' ' ' ALA . 71.8 mt -124.36 138.96 52.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.301 -0.409 . . . . 0.43 110.179 179.527 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 62' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -91.8 -41.67 10.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.889 0.376 . . . . 1.91 111.384 177.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 63' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -156.44 115.74 3.48 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.237 -0.438 . . . . 1.81 109.84 -174.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 64' ' ' ALA . . . . . 0.54 ' HB2' HG21 ' S' ' 61' ' ' ILE . . . -139.21 105.03 5.15 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.667 0.27 . . . . 0.38 111.248 -176.495 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 65' ' ' VAL . . . . . . . . . . . . . 33.5 m -137.1 144.81 31.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.393 -0.367 . . . . 0.36 110.808 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 66' ' ' VAL . . . . . . . . . . . . . 86.4 t -89.19 125.55 42.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 108.829 -0.804 . . . . 0.3 108.829 173.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 67' ' ' ILE . . . . . . . . . . . . . 46.0 mm -78.33 112.12 15.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.257 0.551 . . . . 0.47 111.092 -172.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 68' ' ' THR . . . . . . . . . . . . . 32.3 p -92.38 156.83 16.96 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.56 -0.746 . . . . 0.78 109.897 175.383 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 69' ' ' ASP . . . . . 0.513 ' HA ' ' HE ' ' S' ' 76' ' ' ARG . 14.6 t70 -79.12 145.84 33.52 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.121 -0.696 . . . . 1.75 109.121 175.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 70' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -77.96 -10.27 59.51 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.059 0.392 . . . . 4.02 112.059 -172.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 71' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -88.73 -52.77 4.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.658 0.266 . . . . 2.64 111.463 179.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 72' ' ' THR . . . . . . . . . . . . . 22.6 p -97.32 -19.28 18.63 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.193 0.442 . . . . 1.84 112.193 -176.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 73' ' ' GLN . . . . . 0.416 ' NE2' ' HA ' ' S' ' 73' ' ' GLN . 14.9 mm-40 66.36 18.31 10.85 Favored 'General case' 0 N--CA 1.466 0.35 0 O-C-N 123.447 0.467 . . . . 2.35 111.861 -177.782 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 74' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt -97.86 151.31 20.36 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.038 -0.528 . . . . 2.77 109.952 172.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 75' ' ' SER . . . . . 0.574 ' HB2' ' HA ' ' S' ' 44' ' ' TYR . 40.6 m -60.36 136.08 57.93 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.245 -0.434 . . . . 1.51 111.909 -175.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 76' ' ' ARG . . . . . 0.513 ' HE ' ' HA ' ' S' ' 69' ' ' ASP . 95.5 mtt180 -77.49 -11.79 59.89 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.01 0.433 . . . . 2.54 110.612 179.759 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 77' ' ' GLY . . . . . 0.432 ' HA2' ' O ' ' S' ' 42' ' ' LEU . . . 107.41 13.03 21.93 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.521 -0.847 . . . . 0.53 112.958 178.691 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 78' ' ' TYR . . . . . . . . . . . . . 43.1 p90 -152.91 161.77 42.14 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.721 0.296 . . . . 0.6 110.589 178.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 79' ' ' GLY . . . . . . . . . . . . . . . -146.17 165.91 28.11 Favored Glycine 0 N--CA 1.445 -0.757 0 N-CA-C 110.9 -0.88 . . . . 0.17 110.9 177.336 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 80' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -114.64 136.17 53.34 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 117.0 0.4 . . . . 0.39 110.656 178.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 81' ' ' VAL . . . . . . . . . . . . . 39.6 t -126.09 106.05 15.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.09 -0.505 . . . . 0.24 110.865 178.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 82' ' ' THR . . . . . 0.462 ' HA ' ' O ' ' S' ' 35' ' ' THR . 35.3 m -89.57 106.13 18.25 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 108.734 -0.839 . . . . 0.3 108.734 173.515 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 83' ' ' MET . . . . . 0.701 ' HG3' ' HA ' ' S' ' 89' ' ' ALA . 94.9 mmm -75.17 168.88 19.13 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.173 -0.467 . . . . 0.72 110.466 -177.348 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 84' ' ' LYS . . . . . 0.902 ' HB2' ' HB2' ' S' ' 60' ' ' ASP . 13.4 tttp -53.35 -53.5 50.12 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 123.706 0.629 . . . . 2.21 111.881 -179.236 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 85' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -147.47 -178.51 6.28 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.522 -0.763 . . . . 1.85 109.776 -177.371 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 86' ' ' ARG . . . . . 0.485 ' HG2' ' HB2' ' S' ' 34' ' ' PHE . 19.9 mtp180 -64.99 -34.75 79.17 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.011 -0.541 . . . . 3.96 111.723 -176.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 87' ' ' ALA . . . . . . . . . . . . . . . -71.46 -43.99 65.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.786 0.326 . . . . 0.62 110.368 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 88' ' ' SER . . . . . . . . . . . . . 29.4 m -60.54 -44.92 95.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.029 0.442 . . . . 0.88 110.075 175.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 89' ' ' ALA . . . . . 0.701 ' HA ' ' HG3' ' S' ' 83' ' ' MET . . . -56.63 -51.07 70.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.52 -0.764 . . . . 0.35 111.486 176.644 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 90' ' ' GLU . . . . . 0.494 ' O ' ' HG2' ' S' ' 94' ' ' LYS . 8.0 mm-40 -54.88 -44.38 74.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.54 -0.3 . . . . 1.85 111.579 178.744 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 91' ' ' ARG . . . . . . . . . . . . . 54.1 ttt180 -59.93 -33.57 72.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.676 0.274 . . . . 2.92 110.809 -178.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 92' ' ' ALA . . . . . . . . . . . . . . . -79.64 -22.74 43.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.346 -0.388 . . . . 0.47 111.105 178.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 93' ' ' CYS . . . . . . . . . . . . . 49.6 t -94.93 -2.26 50.89 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.261 -0.427 . . . . 1.35 111.141 -176.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 94' ' ' LYS . . . . . 0.494 ' HG2' ' O ' ' S' ' 90' ' ' GLU . 31.7 mmmt -67.24 -18.4 65.21 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 111.616 0.228 . . . . 2.95 111.616 179.473 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 95' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -118.65 118.63 33.34 Favored Pre-proline 0 C--N 1.326 -0.414 0 N-CA-C 109.756 -0.461 . . . . 2.13 109.756 176.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 96' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -80.41 -29.96 2.2 Favored 'Trans proline' 0 C--O 1.237 0.436 0 C-N-CA 122.613 2.209 . . . . 0.76 113.975 -173.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 97' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -129.27 80.88 71.54 Favored Pre-proline 0 N--CA 1.464 0.254 0 CA-C-O 120.759 0.314 . . . . 1.08 111.477 -174.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 98' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_endo -89.22 158.83 5.66 Favored 'Trans proline' 0 N--CA 1.451 -0.979 0 C-N-CA 123.127 2.552 . . . . 0.53 112.256 178.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 99' ' ' ILE . . . . . . . . . . . . . 46.4 mm -97.52 115.84 38.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 109.921 -0.4 . . . . 0.51 109.921 175.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 100' ' ' ILE . . . . . . . . . . . . . 59.8 mt -121.59 119.02 57.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.576 -0.284 . . . . 0.57 110.29 -179.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 101' ' ' ASP . . . . . . . . . . . . . 28.6 t70 64.49 15.55 9.66 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-O 121.782 0.801 . . . . 1.4 110.971 175.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 102' ' ' GLY . . . . . . . . . . . . . . . 100.17 -2.92 56.67 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.845 -0.693 . . . . 0.82 112.708 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 103' ' ' ARG . . . . . . . . . . . . . 46.0 ttt180 -111.19 145.15 39.19 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.875 -0.417 . . . . 3.11 109.875 -179.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 104' ' ' LYS . . . . . . . . . . . . . 26.7 tttp -79.53 117.97 20.95 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.439 -0.578 . . . . 1.98 109.439 179.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 105' ' ' ALA . . . . . . . . . . . . . . . -101.33 165.5 11.24 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.608 0.718 . . . . 0.33 112.665 -170.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 106' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -121.08 108.7 14.14 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.79 -1.095 . . . . 1.99 109.769 177.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 107' ' ' VAL . . . . . . . . . . . . . 61.2 t -101.54 127.94 54.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 109.527 -0.546 . . . . 0.33 109.527 177.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 108' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -156.53 152.23 27.07 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 110.411 -0.218 . . . . 1.76 110.411 -176.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 109' ' ' LEU . . . . . 0.446 HD13 ' HE2' ' S' ' 111' ' ' TYR . 98.1 mt -74.87 132.24 41.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.916 0.388 . . . . 0.57 110.273 178.801 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.29 -40.03 96.22 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 113.157 0.799 . . . . 0.66 113.157 -170.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 111' ' ' TYR . . . . . 0.446 ' HE2' HD13 ' S' ' 109' ' ' LEU . 28.0 p90 . . . . . 0 CA--C 1.533 0.316 0 N-CA-C 111.735 0.272 . . . . 1.25 111.735 -172.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 27.1 ttt . . . . . 0 N--CA 1.456 -0.158 0 CA-C-O 121.069 0.462 . . . . 1.39 110.484 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' S' S ' 34' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -103.43 11.42 36.52 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.06 -0.518 . . . . 0.97 111.528 -176.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 35' ' ' THR . . . . . 0.447 ' O ' ' HA ' ' S' ' 82' ' ' THR . 8.2 p -122.23 -10.33 8.53 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.908 0.385 . . . . 0.55 110.999 -177.093 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 36' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -100.05 117.65 34.77 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.015 -0.538 . . . . 1.95 110.818 -176.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 37' ' ' ILE . . . . . . . . . . . . . 65.8 mt -101.16 138.57 24.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.501 -0.772 . . . . 0.41 110.768 -179.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 38' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -99.05 120.21 39.09 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.144 -0.687 . . . . 0.45 109.144 175.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 39' ' ' VAL . . . . . 0.42 HG11 HD11 ' S' ' 51' ' ' LEU . 38.4 t -118.42 103.54 14.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.409 -0.36 . . . . 0.2 110.472 -179.471 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 40' ' ' GLY . . . . . . . . . . . . . . . -108.89 152.3 17.02 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.442 -0.885 . . . . 0.27 112.286 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 41' ' ' GLY . . . . . . . . . . . . . . . 104.18 33.39 4.0 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.785 -0.721 . . . . 0.49 111.668 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 42' ' ' LEU . . . . . 0.576 ' O ' ' HA2' ' S' ' 77' ' ' GLY . 86.4 mt -106.32 131.94 21.31 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-O 120.687 0.279 . . . . 0.6 111.001 -177.567 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 43' ' ' PRO . . . . . 0.497 ' HB2' ' CD2' ' S' ' 45' ' ' HIS . 19.5 Cg_exo -67.51 173.63 8.55 Favored 'Trans proline' 0 CA--C 1.532 0.405 0 C-N-CA 122.681 2.254 . . . . 0.55 112.209 175.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 44' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -72.09 -23.77 61.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.173 -0.467 . . . . 2.41 111.26 -173.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 45' ' ' HIS . . . . . 0.497 ' CD2' ' HB2' ' S' ' 43' ' ' PRO . 22.5 p80 -84.15 -3.24 58.0 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.16 -0.473 . . . . 2.31 111.136 -177.655 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 46' ' ' THR . . . . . 0.451 ' OG1' ' HD2' ' S' ' 43' ' ' PRO . 65.1 m -89.47 109.8 20.69 Favored 'General case' 0 N--CA 1.443 -0.777 0 N-CA-C 109.442 -0.577 . . . . 0.53 109.442 -178.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 47' ' ' SER . . . . . 0.549 ' HB2' ' HG2' ' S' ' 49' ' ' LYS . 8.8 m -99.33 175.53 5.84 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 115.883 -0.599 . . . . 0.68 110.258 -175.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 48' ' ' ASP . . . . . 0.698 ' HB3' ' HA ' ' S' ' 65' ' ' VAL . 0.7 OUTLIER -53.13 -46.2 68.69 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.71 -0.677 . . . . 1.29 111.012 176.281 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' S' S ' 49' ' ' LYS . . . . . 0.549 ' HG2' ' HB2' ' S' ' 47' ' ' SER . 53.0 pttt -56.77 -35.25 68.46 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.165 -0.47 . . . . 2.5 111.847 176.575 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 50' ' ' THR . . . . . . . . . . . . . 14.6 m -71.69 -47.99 50.41 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.053 0.454 . . . . 0.43 110.1 -178.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 51' ' ' LEU . . . . . 0.42 HD11 HG11 ' S' ' 39' ' ' VAL . 20.1 tp -64.53 -36.7 85.07 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.065 -0.516 . . . . 0.46 109.908 177.533 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 52' ' ' HIS . . . . . . . . . . . . . 36.4 t-80 -61.98 -50.24 72.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.389 -0.823 . . . . 0.55 110.9 178.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 53' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -54.74 -47.81 73.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.83 0.348 . . . . 2.24 111.467 -179.183 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 54' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -63.57 -43.48 96.87 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.339 -0.391 . . . . 0.55 111.644 -176.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 55' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -84.96 -21.34 29.6 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.29 0.478 . . . . 0.5 112.29 -175.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 56' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -65.12 -15.32 62.27 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.419 0.628 . . . . 1.47 110.427 179.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 57' ' ' GLN . . . . . . . . . . . . . 42.0 tp60 -61.56 -36.5 80.8 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.742 -0.663 . . . . 2.98 110.667 172.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 58' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -91.26 -4.39 56.0 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.045 0.387 . . . . 0.65 112.045 -171.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 59' ' ' GLY . . . . . . . . . . . . . . . 150.15 -175.67 29.13 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.407 -0.901 . . . . 0.44 112.759 177.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 60' ' ' ASP . . . . . 0.628 ' HB2' ' HG2' ' S' ' 84' ' ' LYS . 9.4 m-20 -69.36 140.28 54.25 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 110.082 -0.34 . . . . 1.99 110.082 179.593 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 61' ' ' ILE . . . . . 0.607 HG21 ' HB2' ' S' ' 64' ' ' ALA . 65.8 mt -115.06 132.52 64.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 116.2 -0.455 . . . . 0.43 110.29 178.647 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 62' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -87.78 -48.23 8.0 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.105 -0.498 . . . . 1.91 110.639 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 63' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -142.11 116.41 9.53 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.268 -0.424 . . . . 1.81 110.207 -176.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 64' ' ' ALA . . . . . 0.607 ' HB2' HG21 ' S' ' 61' ' ' ILE . . . -135.08 110.63 9.16 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 110.212 -0.292 . . . . 0.38 110.212 -179.633 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 65' ' ' VAL . . . . . 0.698 ' HA ' ' HB3' ' S' ' 48' ' ' ASP . 21.0 m -142.51 138.03 28.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.338 -0.392 . . . . 0.36 111.076 -178.609 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 66' ' ' VAL . . . . . . . . . . . . . 96.4 t -90.31 119.47 37.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 108.088 -1.078 . . . . 0.3 108.088 169.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 67' ' ' ILE . . . . . . . . . . . . . 48.8 mm -68.56 125.5 26.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.097 0.475 . . . . 0.47 111.949 -168.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 68' ' ' THR . . . . . . . . . . . . . 1.9 p -99.95 146.77 26.31 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 115.734 -0.667 . . . . 0.78 109.769 174.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 69' ' ' ASP . . . . . 0.464 ' O ' ' HA ' ' S' ' 73' ' ' GLN . 24.1 t70 -66.03 142.13 57.92 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.377 -0.374 . . . . 1.75 110.815 -179.605 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 70' ' ' ARG . . . . . . . . . . . . . 83.5 mtt180 -70.19 -25.4 63.41 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.545 -0.298 . . . . 4.02 111.399 -176.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 71' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -93.62 -56.46 2.9 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.029 0.442 . . . . 2.64 111.135 -174.103 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 72' ' ' THR . . . . . 0.441 ' HB ' ' HG2' ' S' ' 74' ' ' LYS . 42.7 p -91.83 -18.79 23.31 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.98 -0.554 . . . . 1.84 111.658 -175.573 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 73' ' ' GLN . . . . . 0.464 ' HA ' ' O ' ' S' ' 69' ' ' ASP . 10.6 mm100 63.64 23.58 13.6 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 115.968 -0.56 . . . . 2.35 111.805 -177.77 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 74' ' ' LYS . . . . . 0.441 ' HG2' ' HB ' ' S' ' 72' ' ' THR . 29.4 mmtp -92.21 160.55 15.11 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.806 -0.813 . . . . 2.77 108.806 175.056 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 75' ' ' SER . . . . . . . . . . . . . 35.9 t -67.33 144.05 56.06 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.847 0.356 . . . . 1.51 110.426 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 76' ' ' ARG . . . . . . . . . . . . . 88.8 mtt180 -96.7 5.78 49.99 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.954 0.406 . . . . 2.54 111.385 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 77' ' ' GLY . . . . . 0.576 ' HA2' ' O ' ' S' ' 42' ' ' LEU . . . 84.21 18.75 62.07 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.733 -0.746 . . . . 0.53 113.985 173.196 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 78' ' ' TYR . . . . . . . . . . . . . 43.1 p90 -159.29 161.25 35.86 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.937 0.399 . . . . 0.6 110.524 178.205 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 79' ' ' GLY . . . . . . . . . . . . . . . -142.72 165.07 26.94 Favored Glycine 0 N--CA 1.444 -0.795 0 CA-C-N 115.957 -0.565 . . . . 0.17 111.741 178.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 80' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -116.28 136.72 52.75 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 110.246 -0.279 . . . . 0.39 110.246 179.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 81' ' ' VAL . . . . . . . . . . . . . 41.6 t -125.63 112.22 30.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.048 -0.524 . . . . 0.24 110.475 179.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 82' ' ' THR . . . . . 0.447 ' HA ' ' O ' ' S' ' 35' ' ' THR . 11.9 m -99.66 113.36 25.76 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.142 -0.688 . . . . 0.3 109.142 176.413 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 83' ' ' MET . . . . . 0.607 ' HG3' ' HA ' ' S' ' 89' ' ' ALA . 94.2 mmm -85.09 165.28 17.61 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.503 -0.317 . . . . 0.72 110.949 -175.553 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 84' ' ' LYS . . . . . 0.628 ' HG2' ' HB2' ' S' ' 60' ' ' ASP . 0.0 OUTLIER -65.9 -22.43 66.51 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.931 -0.577 . . . . 2.21 111.653 -177.922 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' S' S ' 85' ' ' ASP . . . . . 0.415 ' HB3' ' HD3' ' S' ' 84' ' ' LYS . 0.3 OUTLIER -164.06 -178.44 5.6 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 110.241 -0.281 . . . . 1.85 110.241 178.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' S' S ' 86' ' ' ARG . . . . . . . . . . . . . 51.8 mtp180 -67.31 -41.66 84.99 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.142 -0.481 . . . . 3.96 112.138 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.2 -41.82 98.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.868 0.366 . . . . 0.62 110.645 -175.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 88' ' ' SER . . . . . . . . . . . . . 18.3 m -63.96 -39.89 95.16 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.952 -0.567 . . . . 0.88 110.589 176.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 89' ' ' ALA . . . . . 0.607 ' HA ' ' HG3' ' S' ' 83' ' ' MET . . . -67.6 -47.79 68.67 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.277 -0.419 . . . . 0.35 111.311 -179.699 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 90' ' ' GLU . . . . . 0.61 ' HA ' ' SG ' ' S' ' 93' ' ' CYS . 62.9 mt-10 -63.15 -39.79 95.7 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.225 -0.443 . . . . 1.85 110.529 179.313 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 91' ' ' ARG . . . . . 0.406 ' HA ' ' HG3' ' S' ' 94' ' ' LYS . 34.1 ttm180 -58.11 -38.36 76.31 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.151 -0.477 . . . . 2.92 110.717 178.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 92' ' ' ALA . . . . . . . . . . . . . . . -72.54 -40.53 66.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.965 -0.561 . . . . 0.47 111.536 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 93' ' ' CYS . . . . . 0.61 ' SG ' ' HA ' ' S' ' 90' ' ' GLU . 18.4 p -91.1 14.2 14.76 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.958 0.355 . . . . 1.35 111.958 -176.532 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 94' ' ' LYS . . . . . 0.406 ' HG3' ' HA ' ' S' ' 91' ' ' ARG . 76.1 mttt -61.25 -15.49 35.35 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.724 0.297 . . . . 2.95 111.593 170.724 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 95' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -124.7 115.94 26.57 Favored Pre-proline 0 C--N 1.327 -0.388 0 N-CA-C 109.353 -0.61 . . . . 2.13 109.353 176.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 96' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -69.95 -24.89 28.29 Favored 'Trans proline' 0 CA--C 1.531 0.347 0 C-N-CA 122.579 2.186 . . . . 0.76 113.392 -174.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 97' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -129.21 83.19 66.42 Favored Pre-proline 0 C--O 1.234 0.253 0 N-CA-C 111.435 0.161 . . . . 1.08 111.435 -176.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 98' ' ' PRO . . . . . 0.482 ' HG2' ' HB3' ' S' ' 105' ' ' ALA . 74.2 Cg_endo -77.61 139.56 18.14 Favored 'Trans proline' 0 N--CA 1.457 -0.662 0 C-N-CA 122.256 1.971 . . . . 0.53 111.653 174.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 99' ' ' ILE . . . . . . . . . . . . . 50.9 mm -92.52 97.63 7.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 120.888 0.375 . . . . 0.51 110.405 -179.259 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 100' ' ' ILE . . . . . . . . . . . . . 58.4 mt -111.5 122.95 66.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 109.256 -0.646 . . . . 0.57 109.256 -179.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 101' ' ' ASP . . . . . . . . . . . . . 32.8 t70 64.41 14.58 8.93 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-O 121.937 0.875 . . . . 1.4 110.43 -175.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 102' ' ' GLY . . . . . . . . . . . . . . . 85.25 1.62 88.2 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.404 -0.903 . . . . 0.82 111.873 -176.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 103' ' ' ARG . . . . . . . . . . . . . 29.4 mmt180 -88.92 151.7 22.16 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-O 120.879 0.371 . . . . 3.11 110.026 178.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 104' ' ' LYS . . . . . 0.443 ' HE3' ' HB2' ' S' ' 104' ' ' LYS . 30.4 ttmt -92.98 94.55 8.96 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.178 -0.675 . . . . 1.98 109.178 178.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 105' ' ' ALA . . . . . 0.482 ' HB3' ' HG2' ' S' ' 98' ' ' PRO . . . -85.78 161.73 19.02 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.74 -0.663 . . . . 0.33 111.467 -173.578 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 106' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -119.26 114.17 21.99 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.598 -0.728 . . . . 1.99 109.359 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 107' ' ' VAL . . . . . . . . . . . . . 54.4 t -116.13 127.66 73.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.842 -0.617 . . . . 0.33 111.019 -177.125 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 108' ' ' ASN . . . . . . . . . . . . . 30.1 p-10 -156.32 165.51 36.15 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.756 -0.656 . . . . 1.76 109.804 177.326 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 109' ' ' LEU . . . . . . . . . . . . . 95.3 mt -71.7 131.22 42.84 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.56 -0.533 . . . . 0.57 109.56 175.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.95 -15.67 63.19 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 113.555 0.946 . . . . 0.66 113.555 -167.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 111' ' ' TYR . . . . . . . . . . . . . 29.4 p90 . . . . . 0 C--N 1.329 -0.319 0 C-N-CA 120.636 -0.426 . . . . 1.25 110.503 -179.323 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 23.5 ttt . . . . . 0 CA--C 1.529 0.157 0 CA-C-O 120.825 0.345 . . . . 1.39 111.34 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' S' S ' 34' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -105.54 7.59 32.98 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.982 0.364 . . . . 0.97 111.982 -174.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' S' S ' 35' ' ' THR . . . . . 0.573 ' O ' ' HA ' ' S' ' 82' ' ' THR . 7.7 p -125.22 -4.98 7.31 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.951 0.405 . . . . 0.55 110.911 178.101 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 36' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -87.0 99.36 11.84 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.819 -0.628 . . . . 1.95 110.149 -179.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' S' S ' 37' ' ' ILE . . . . . . . . . . . . . 62.7 mt -89.98 135.01 27.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.623 -0.717 . . . . 0.41 110.595 -179.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' S' S ' 38' ' ' PHE . . . . . 0.442 ' HD1' ' CE1' ' S' ' 80' ' ' PHE . 72.8 t80 -102.73 106.32 16.92 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.593 -0.73 . . . . 0.45 109.202 176.323 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 39' ' ' VAL . . . . . . . . . . . . . 21.5 t -101.48 102.49 13.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 110.036 -0.357 . . . . 0.2 110.036 -179.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' S' S ' 40' ' ' GLY . . . . . 0.413 ' HA2' ' CB ' ' S' ' 78' ' ' TYR . . . -102.2 155.8 18.57 Favored Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.579 -0.82 . . . . 0.27 112.461 -176.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 41' ' ' GLY . . . . . . . . . . . . . . . 99.43 21.22 15.34 Favored Glycine 0 N--CA 1.453 -0.193 0 C-N-CA 120.763 -0.732 . . . . 0.49 112.154 178.569 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' S' S ' 42' ' ' LEU . . . . . 0.413 ' HA ' ' HD3' ' S' ' 43' ' ' PRO . 90.1 mt -91.82 134.72 28.5 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-O 120.866 0.365 . . . . 0.6 111.144 -176.521 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 43' ' ' PRO . . . . . 0.571 ' HG3' ' HG3' ' S' ' 103' ' ' ARG . 35.5 Cg_exo -62.04 163.29 19.97 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.873 2.382 . . . . 0.55 112.246 175.166 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 44' ' ' TYR . . . . . 0.418 ' HA ' ' HB3' ' S' ' 75' ' ' SER . 16.2 m-85 -69.95 -26.25 64.03 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.634 -0.712 . . . . 2.41 111.556 -172.628 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 45' ' ' HIS . . . . . . . . . . . . . 4.5 p80 -89.56 0.0 57.21 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.052 0.454 . . . . 2.31 110.667 -178.332 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' S' S ' 46' ' ' THR . . . . . 0.434 ' OG1' ' HD2' ' S' ' 43' ' ' PRO . 97.1 m -79.51 116.79 19.93 Favored 'General case' 0 N--CA 1.446 -0.633 0 N-CA-C 109.197 -0.668 . . . . 0.53 109.197 176.37 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 47' ' ' SER . . . . . . . . . . . . . 43.5 m -108.76 -177.48 3.32 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 116.167 -0.47 . . . . 0.68 111.168 -174.4 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' S' S ' 48' ' ' ASP . . . . . . . . . . . . . 21.3 p-10 -53.8 -52.12 61.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.744 -0.662 . . . . 1.29 110.401 177.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' S' S ' 49' ' ' LYS . . . . . . . . . . . . . 6.1 ptpp? -53.42 -41.09 65.69 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.17 -0.923 . . . . 2.5 111.737 178.009 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' S' S ' 50' ' ' THR . . . . . . . . . . . . . 2.9 m -63.47 -47.68 80.8 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-O 120.92 0.39 . . . . 0.43 110.495 -177.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' S' S ' 51' ' ' LEU . . . . . . . . . . . . . 15.8 tp -74.73 -35.87 62.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.018 -0.537 . . . . 0.46 110.923 -178.214 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' S' S ' 52' ' ' HIS . . . . . . . . . . . . . 52.8 t-80 -61.45 -49.73 75.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.398 -0.365 . . . . 0.55 110.298 177.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' S' S ' 53' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -57.95 -40.74 81.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.962 -0.563 . . . . 2.24 110.07 179.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' S' S ' 54' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -66.45 -42.49 87.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.82 -0.627 . . . . 0.55 111.096 -178.281 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' S' S ' 55' ' ' PHE . . . . . 0.417 ' CD1' HG11 ' S' ' 81' ' ' VAL . 6.2 m-85 -85.05 -20.31 30.61 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 112.655 0.613 . . . . 0.5 112.655 -174.723 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 56' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -61.87 -18.71 61.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.118 0.485 . . . . 1.47 110.283 176.072 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' S' S ' 57' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -71.18 -12.94 61.75 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.004 -0.544 . . . . 2.98 110.101 178.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' S' S ' 58' ' ' PHE . . . . . 0.448 ' O ' ' HD3' ' S' ' 91' ' ' ARG . 66.5 m-85 -106.68 1.95 25.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.956 -0.566 . . . . 0.65 111.003 -179.191 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 59' ' ' GLY . . . . . . . . . . . . . . . 134.38 -159.33 23.79 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.32 -0.943 . . . . 0.44 113.03 177.371 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' S' S ' 60' ' ' ASP . . . . . 0.698 ' HB3' ' HD2' ' S' ' 84' ' ' LYS . 24.4 t70 -92.98 141.16 28.7 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.925 0.393 . . . . 1.99 110.733 -175.635 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 61' ' ' ILE . . . . . 0.418 HG12 ' SD ' ' S' ' 83' ' ' MET . 22.2 mt -121.54 148.89 24.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.938 -0.573 . . . . 0.43 110.788 -169.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 62' ' ' GLU . . . . . 0.527 ' HG3' ' HA ' ' S' ' 84' ' ' LYS . 31.8 mt-10 -81.28 -47.13 13.75 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 109.964 -0.384 . . . . 1.91 109.964 174.134 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 63' ' ' GLU . . . . . . . . . . . . . 77.1 tt0 -169.07 138.85 2.19 Favored 'General case' 0 C--N 1.334 -0.088 0 CA-C-N 116.419 -0.355 . . . . 1.81 110.449 175.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' S' S ' 64' ' ' ALA . . . . . 0.452 ' HB2' HG13 ' S' ' 81' ' ' VAL . . . -137.14 115.11 11.48 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 110.016 -0.364 . . . . 0.38 110.016 178.671 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 65' ' ' VAL . . . . . . . . . . . . . 27.8 m -138.9 138.71 41.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.084 0.469 . . . . 0.36 111.986 -176.173 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' S' S ' 66' ' ' VAL . . . . . . . . . . . . . 91.0 t -88.47 120.99 38.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 108.639 -0.874 . . . . 0.3 108.639 169.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' S' S ' 67' ' ' ILE . . . . . 0.459 ' HB ' ' HG3' ' S' ' 76' ' ' ARG . 50.6 mm -69.59 122.25 20.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.251 -0.431 . . . . 0.47 111.565 -172.019 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 68' ' ' THR . . . . . . . . . . . . . 20.0 p -111.13 145.73 38.08 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.602 -0.727 . . . . 0.78 110.325 176.147 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' S' S ' 69' ' ' ASP . . . . . 0.628 ' O ' ' HA ' ' S' ' 73' ' ' GLN . 56.8 m-20 -76.01 149.26 37.6 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.26 -0.427 . . . . 1.75 111.08 179.427 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 70' ' ' ARG . . . . . . . . . . . . . 91.2 mtt180 -80.51 -39.32 28.11 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.131 0.491 . . . . 4.02 110.539 178.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' S' S ' 71' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -82.78 -56.71 3.67 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.549 -0.75 . . . . 2.64 111.223 -176.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' S' S ' 72' ' ' THR . . . . . . . . . . . . . 1.5 p -89.09 -7.84 55.01 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.928 -0.578 . . . . 1.84 112.138 -176.028 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' S' S ' 73' ' ' GLN . . . . . 0.628 ' HA ' ' O ' ' S' ' 69' ' ' ASP . 18.8 pt20 45.39 33.59 1.31 Allowed 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.068 0.947 . . . . 2.35 112.235 -178.49 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 74' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -94.75 165.34 12.54 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.117 -0.492 . . . . 2.77 110.079 178.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' S' S ' 75' ' ' SER . . . . . 0.418 ' HB3' ' HA ' ' S' ' 44' ' ' TYR . 44.8 t -90.4 146.54 24.08 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.601 -0.518 . . . . 1.51 109.601 174.664 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 76' ' ' ARG . . . . . 0.459 ' HG3' ' HB ' ' S' ' 67' ' ' ILE . 5.3 mmp_? -76.21 -9.65 58.8 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.346 -0.388 . . . . 2.54 110.842 179.356 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 77' ' ' GLY . . . . . . . . . . . . . . . 80.55 20.47 66.25 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.642 -0.79 . . . . 0.53 111.63 -177.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' S' S ' 78' ' ' TYR . . . . . 0.419 ' CE1' ' HB3' ' S' ' 76' ' ' ARG . 11.9 p90 -165.31 163.62 19.95 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.396 -0.594 . . . . 0.6 109.396 178.122 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 79' ' ' GLY . . . . . . . . . . . . . . . -138.29 163.96 25.66 Favored Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 111.204 -0.759 . . . . 0.17 111.204 177.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' S' S ' 80' ' ' PHE . . . . . 0.442 ' CE1' ' HD1' ' S' ' 38' ' ' PHE . 90.1 m-85 -113.2 134.82 54.39 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.858 -0.423 . . . . 0.39 109.858 178.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 81' ' ' VAL . . . . . 0.452 HG13 ' HB2' ' S' ' 64' ' ' ALA . 50.6 t -124.55 115.8 45.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 115.904 -0.589 . . . . 0.24 109.884 178.221 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 82' ' ' THR . . . . . 0.573 ' HA ' ' O ' ' S' ' 35' ' ' THR . 11.7 m -99.89 102.35 13.72 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 108.895 -0.78 . . . . 0.3 108.895 176.61 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 83' ' ' MET . . . . . 0.638 ' HG3' ' HA ' ' S' ' 89' ' ' ALA . 98.7 mmm -75.63 159.03 31.62 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.19 -0.459 . . . . 0.72 109.967 -179.436 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 84' ' ' LYS . . . . . 0.698 ' HD2' ' HB3' ' S' ' 60' ' ' ASP . 14.8 ptmt -59.19 -32.25 69.75 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.437 0.532 . . . . 2.21 112.437 -173.731 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 85' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -167.73 -173.04 2.03 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 109.729 -0.471 . . . . 1.85 109.729 178.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' S' S ' 86' ' ' ARG . . . . . . . . . . . . . 51.0 mmt-85 -63.1 -46.71 86.09 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.76 0.314 . . . . 3.96 110.975 -172.234 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' S' S ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.99 77.29 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.947 -0.57 . . . . 0.62 112.033 -175.216 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' S' S ' 88' ' ' SER . . . . . . . . . . . . . 13.9 m -67.22 -39.7 86.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.949 0.404 . . . . 0.88 110.535 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' S' S ' 89' ' ' ALA . . . . . 0.638 ' HA ' ' HG3' ' S' ' 83' ' ' MET . . . -58.94 -46.01 89.05 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.816 -0.629 . . . . 0.35 110.917 177.406 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 90' ' ' GLU . . . . . 0.603 ' HB3' ' HE2' ' S' ' 94' ' ' LYS . 29.7 mt-10 -55.14 -49.01 72.87 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-N 116.539 -0.301 . . . . 1.85 111.192 177.524 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 91' ' ' ARG . . . . . 0.448 ' HD3' ' O ' ' S' ' 58' ' ' PHE . 78.1 ttt180 -56.7 -34.85 67.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.304 -0.407 . . . . 2.92 111.09 -177.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 92' ' ' ALA . . . . . . . . . . . . . . . -80.05 -20.5 45.1 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.963 -0.562 . . . . 0.47 111.411 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' S' S ' 93' ' ' CYS . . . . . . . . . . . . . 64.4 m -103.9 2.22 32.27 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.058 0.392 . . . . 1.35 112.058 -176.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' S' S ' 94' ' ' LYS . . . . . 0.603 ' HE2' ' HB3' ' S' ' 90' ' ' GLU . 73.3 mmtt -62.98 -33.49 75.51 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.657 0.265 . . . . 2.95 111.068 179.149 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 95' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -99.83 109.33 55.42 Favored Pre-proline 0 C--N 1.328 -0.353 0 N-CA-C 109.738 -0.467 . . . . 2.13 109.738 173.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' S' S ' 96' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -69.62 -39.86 6.26 Favored 'Trans proline' 0 C--O 1.234 0.292 0 C-N-CA 122.672 2.248 . . . . 0.76 113.261 -174.544 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' S' S ' 97' ' ' ASN . . . . . 0.451 ' HA ' ' O ' ' S' ' 105' ' ' ALA . 12.7 m120 -124.97 80.28 63.98 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 120.761 0.315 . . . . 1.08 111.029 -178.575 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 98' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -83.86 152.18 12.92 Favored 'Trans proline' 0 N--CA 1.454 -0.823 0 C-N-CA 122.836 2.358 . . . . 0.53 112.043 177.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' S' S ' 99' ' ' ILE . . . . . . . . . . . . . 49.1 mm -87.85 109.68 19.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 109.794 -0.447 . . . . 0.51 109.794 177.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' S' S ' 100' ' ' ILE . . . . . . . . . . . . . 51.3 mt -116.88 120.27 64.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 109.642 -0.503 . . . . 0.57 109.642 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' S' S ' 101' ' ' ASP . . . . . 0.401 ' OD2' ' HG2' ' S' ' 43' ' ' PRO . 27.3 t70 64.93 15.68 10.07 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 121.967 0.889 . . . . 1.4 110.672 178.34 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 102' ' ' GLY . . . . . . . . . . . . . . . 93.98 4.18 63.39 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.75 -0.738 . . . . 0.82 112.683 -179.281 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' S' S ' 103' ' ' ARG . . . . . 0.571 ' HG3' ' HG3' ' S' ' 43' ' ' PRO . 2.9 mmp_? -111.59 151.95 28.16 Favored 'General case' 0 N--CA 1.448 -0.535 0 O-C-N 122.509 -0.406 . . . . 3.11 110.822 179.184 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 104' ' ' LYS . . . . . . . . . . . . . 13.7 ttmm -85.0 99.08 10.77 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.624 -0.51 . . . . 1.98 109.624 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' S' S ' 105' ' ' ALA . . . . . 0.456 ' C ' HD22 ' S' ' 106' ' ' ASN . . . -86.43 162.81 17.94 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.189 0.518 . . . . 0.33 111.3 -174.715 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 106' ' ' ASN . . . . . 0.456 HD22 ' C ' ' S' ' 105' ' ' ALA . 0.9 OUTLIER -119.13 113.13 20.43 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.706 -0.679 . . . . 1.99 109.488 178.589 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' S' S ' 107' ' ' VAL . . . . . . . . . . . . . 61.9 t -105.78 126.76 61.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 109.666 -0.494 . . . . 0.33 109.666 179.159 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' S' S ' 108' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -165.1 158.9 17.18 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.231 -0.441 . . . . 1.76 110.033 -178.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' S' S ' 109' ' ' LEU . . . . . 0.518 HD13 ' HE2' ' S' ' 111' ' ' TYR . 97.0 mt -76.43 134.53 39.56 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.66 0.267 . . . . 0.57 110.407 -179.717 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 110' ' ' ALA . . . . . . . . . . . . . . . -57.25 -36.71 71.29 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 113.244 0.831 . . . . 0.66 113.244 -171.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' S' S ' 111' ' ' TYR . . . . . 0.518 ' HE2' HD13 ' S' ' 109' ' ' LEU . 26.9 p90 . . . . . 0 C--N 1.327 -0.381 0 CA-C-O 120.833 0.349 . . . . 1.25 111.557 -175.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' S' S ' 33' ' ' MET . . . . . 0.467 ' HB2' ' HB2' ' S' ' 111' ' ' TYR . 20.4 ptt? . . . . . 0 CA--C 1.532 0.265 0 CA-C-O 120.701 0.286 . . . . 1.39 111.623 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' S' S ' 34' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -103.42 -2.38 27.02 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.016 0.376 . . . . 0.97 112.016 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' S' S ' 35' ' ' THR . . . . . . . . . . . . . 11.8 p -127.13 -7.51 5.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.956 0.408 . . . . 0.55 111.389 -177.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' S' S ' 36' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -89.22 98.55 11.83 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.962 -0.563 . . . . 1.95 110.169 179.428 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' S' S ' 37' ' ' ILE . . . . . . . . . . . . . 65.5 mt -90.22 131.67 36.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.603 -0.726 . . . . 0.41 110.898 -177.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' S' S ' 38' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -99.57 117.92 35.0 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.643 -0.708 . . . . 0.45 109.714 178.26 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' S' S ' 39' ' ' VAL . . . . . 0.451 HG21 HD11 ' S' ' 51' ' ' LEU . 19.5 t -110.1 98.67 7.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 116.199 -0.455 . . . . 0.2 109.781 179.098 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 40' ' ' GLY . . . . . . . . . . . . . . . -100.39 152.89 19.27 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.601 -0.809 . . . . 0.27 111.835 -179.068 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' S' S ' 41' ' ' GLY . . . . . . . . . . . . . . . 98.25 15.32 35.93 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.553 -0.832 . . . . 0.49 111.91 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' S' S ' 42' ' ' LEU . . . . . 0.576 HD11 HD13 ' S' ' 51' ' ' LEU . 65.6 mt -77.73 133.65 66.17 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-O 120.514 0.197 . . . . 0.6 110.599 -179.607 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 43' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' S' ' 42' ' ' LEU . 52.2 Cg_exo -53.99 155.77 14.18 Favored 'Trans proline' 0 N--CA 1.462 -0.36 0 C-N-CA 122.834 2.356 . . . . 0.55 112.546 177.019 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 44' ' ' TYR . . . . . 0.866 ' HA ' ' HB3' ' S' ' 75' ' ' SER . 13.4 m-85 -79.43 2.06 23.19 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.636 -0.711 . . . . 2.41 111.436 -171.678 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 45' ' ' HIS . . . . . . . . . . . . . 4.3 p80 -117.49 4.88 12.44 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.109 0.481 . . . . 2.31 109.908 178.016 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' S' S ' 46' ' ' THR . . . . . 0.424 HG23 ' HB ' ' S' ' 50' ' ' THR . 91.0 m -77.82 126.43 30.85 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.953 -0.567 . . . . 0.53 110.882 -178.41 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 47' ' ' SER . . . . . 0.525 ' HB2' ' HG2' ' S' ' 49' ' ' LYS . 5.1 m -97.57 168.18 10.52 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.104 -0.498 . . . . 0.68 110.436 -178.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 48' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -55.62 -39.63 71.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.067 -0.515 . . . . 1.29 110.873 178.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' S' S ' 49' ' ' LYS . . . . . 0.525 ' HG2' ' HB2' ' S' ' 47' ' ' SER . 14.1 ptmt -60.21 -28.38 67.94 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.638 -0.71 . . . . 2.5 111.528 179.626 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 50' ' ' THR . . . . . 0.424 ' HB ' HG23 ' S' ' 46' ' ' THR . 15.1 m -77.8 -44.24 28.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.966 0.412 . . . . 0.43 110.132 -179.435 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 51' ' ' LEU . . . . . 0.576 HD13 HD11 ' S' ' 42' ' ' LEU . 36.4 tp -59.71 -41.93 91.92 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.586 0.708 . . . . 0.46 109.564 174.246 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 52' ' ' HIS . . . . . . . . . . . . . 30.7 t-80 -63.71 -45.35 90.35 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.06 -0.973 . . . . 0.55 110.925 176.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' S' S ' 53' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -46.81 -49.44 19.97 Favored 'General case' 0 N--CA 1.467 0.38 0 O-C-N 123.789 0.681 . . . . 2.24 111.619 179.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' S' S ' 54' ' ' TYR . . . . . . . . . . . . . 45.8 t80 -76.67 -40.88 47.59 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.224 -0.444 . . . . 0.55 111.838 -174.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' S' S ' 55' ' ' PHE . . . . . . . . . . . . . 41.4 m-85 -86.42 -22.73 26.38 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 114.355 1.243 . . . . 0.5 114.355 -169.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' S' S ' 56' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -65.23 -16.7 63.82 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 121.796 0.808 . . . . 1.47 109.666 179.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' S' S ' 57' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -60.58 -23.97 65.09 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.995 -1.002 . . . . 2.98 111.49 175.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' S' S ' 58' ' ' PHE . . . . . 0.419 ' HB3' ' HB2' ' S' ' 91' ' ' ARG . 54.5 m-85 -99.78 1.41 43.13 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.183 -0.462 . . . . 0.65 111.683 -175.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 59' ' ' GLY . . . . . . . . . . . . . . . 138.53 173.92 13.2 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.975 -0.631 . . . . 0.44 111.876 178.31 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' S' S ' 60' ' ' ASP . . . . . 0.408 ' HB2' ' CE ' ' S' ' 84' ' ' LYS . 26.1 m-20 -63.89 135.61 56.69 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 120.935 0.397 . . . . 1.99 110.482 178.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 61' ' ' ILE . . . . . 0.688 HG21 ' HB2' ' S' ' 64' ' ' ALA . 66.9 mt -107.07 134.6 48.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.707 -0.679 . . . . 0.43 110.438 -178.48 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 62' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -83.85 -40.39 18.71 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.619 0.247 . . . . 1.91 110.638 178.088 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' S' S ' 63' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -147.5 121.22 9.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.313 -0.403 . . . . 1.81 110.885 179.212 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' S' S ' 64' ' ' ALA . . . . . 0.688 ' HB2' HG21 ' S' ' 61' ' ' ILE . . . -139.59 100.82 4.07 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.482 -0.326 . . . . 0.38 110.283 175.758 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 65' ' ' VAL . . . . . . . . . . . . . 35.0 m -137.09 148.36 26.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.275 -0.42 . . . . 0.36 111.33 -177.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' S' S ' 66' ' ' VAL . . . . . . . . . . . . . 40.9 t -99.33 114.08 36.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 108.62 -0.881 . . . . 0.3 108.62 173.418 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' S' S ' 67' ' ' ILE . . . . . 0.4 HG22 ' HD3' ' S' ' 76' ' ' ARG . 34.4 mm -69.87 128.74 33.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.677 0.275 . . . . 0.47 110.681 -173.528 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 68' ' ' THR . . . . . . . . . . . . . 19.9 p -96.5 157.36 15.93 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 116.051 -0.522 . . . . 0.78 110.607 -179.328 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' S' S ' 69' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.63 151.89 30.32 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.745 -0.465 . . . . 1.75 109.745 178.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 70' ' ' ARG . . . . . . . . . . . . . 65.1 mtt180 -80.54 -6.59 58.46 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.41 0.522 . . . . 4.02 112.41 -174.353 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' S' S ' 71' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -92.51 -56.64 2.95 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.699 -0.228 . . . . 2.64 110.91 -177.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' S' S ' 72' ' ' THR . . . . . . . . . . . . . 33.8 p -112.35 -4.29 14.32 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.652 0.612 . . . . 1.84 112.652 -175.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' S' S ' 73' ' ' GLN . . . . . . . . . . . . . 75.1 mm-40 61.37 38.89 15.86 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.019 0.438 . . . . 2.35 111.246 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' S' S ' 74' ' ' LYS . . . . . . . . . . . . . 57.2 mttp -109.4 170.53 8.0 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.079 -0.51 . . . . 2.77 109.886 174.227 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' S' S ' 75' ' ' SER . . . . . 0.866 ' HB3' ' HA ' ' S' ' 44' ' ' TYR . 41.2 t -61.31 139.63 58.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.922 0.391 . . . . 1.51 111.358 -177.606 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 76' ' ' ARG . . . . . 0.4 ' HD3' HG22 ' S' ' 67' ' ' ILE . 24.3 mtp180 -88.81 7.5 33.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.807 -0.633 . . . . 2.54 110.496 175.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 77' ' ' GLY . . . . . . . . . . . . . . . 90.13 13.42 60.46 Favored Glycine 0 N--CA 1.45 -0.397 0 CA-C-N 115.9 -0.591 . . . . 0.53 113.18 173.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' S' S ' 78' ' ' TYR . . . . . . . . . . . . . 36.5 p90 -162.34 163.81 27.72 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.179 0.514 . . . . 0.6 111.378 179.3 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' S' S ' 79' ' ' GLY . . . . . . . . . . . . . . . -145.0 166.42 27.5 Favored Glycine 0 N--CA 1.443 -0.861 0 N-CA-C 111.086 -0.805 . . . . 0.17 111.086 177.187 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' S' S ' 80' ' ' PHE . . . . . 0.404 ' O ' ' HA ' ' S' ' 64' ' ' ALA . 77.9 m-85 -118.97 136.61 54.01 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 117.003 0.402 . . . . 0.39 110.686 -178.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 81' ' ' VAL . . . . . . . . . . . . . 21.5 t -124.4 118.43 53.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.229 -0.441 . . . . 0.24 110.444 178.385 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' S' S ' 82' ' ' THR . . . . . . . . . . . . . 11.9 m -105.76 115.01 29.51 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 109.533 -0.543 . . . . 0.3 109.533 177.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' S' S ' 83' ' ' MET . . . . . 0.424 ' SD ' HG12 ' S' ' 61' ' ' ILE . 92.7 mmm -90.37 173.74 7.95 Favored 'General case' 0 C--N 1.331 -0.201 0 O-C-N 123.706 0.628 . . . . 0.72 111.277 -175.688 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 84' ' ' LYS . . . . . 0.408 ' CE ' ' HB2' ' S' ' 60' ' ' ASP . 19.3 ptpt -70.36 -37.18 74.56 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.862 -0.608 . . . . 2.21 111.742 -176.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 85' ' ' ASP . . . . . . . . . . . . . 22.0 p30 -152.62 -176.61 5.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.44 -0.345 . . . . 1.85 110.89 -175.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' S' S ' 86' ' ' ARG . . . . . 0.696 HH12 HD11 ' S' ' 109' ' ' LEU . 28.0 tpt180 -65.32 -43.55 90.66 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.281 -0.418 . . . . 3.96 111.146 179.24 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 87' ' ' ALA . . . . . 0.406 ' O ' ' HG3' ' S' ' 91' ' ' ARG . . . -58.21 -48.27 80.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.856 0.36 . . . . 0.62 111.412 -176.054 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 88' ' ' SER . . . . . . . . . . . . . 6.3 p -63.7 -38.31 90.63 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.311 -0.404 . . . . 0.88 110.926 178.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' S' S ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.9 -44.57 96.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.032 -0.531 . . . . 0.35 110.835 177.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' S' S ' 90' ' ' GLU . . . . . 0.685 ' HA ' ' SG ' ' S' ' 93' ' ' CYS . 59.4 mt-10 -65.74 -33.93 77.02 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.254 -0.43 . . . . 1.85 110.853 -178.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 91' ' ' ARG . . . . . 0.437 HH11 ' HD2' ' S' ' 91' ' ' ARG . 69.7 mtt180 -60.56 -38.04 83.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.923 0.392 . . . . 2.92 110.529 175.379 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 92' ' ' ALA . . . . . . . . . . . . . . . -77.0 -41.91 40.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.871 -0.604 . . . . 0.47 111.395 -178.198 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' S' S ' 93' ' ' CYS . . . . . 0.685 ' SG ' ' HA ' ' S' ' 90' ' ' GLU . 29.0 p -88.35 12.05 15.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.926 0.393 . . . . 1.35 110.839 178.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 94' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.51 -47.85 78.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.685 -0.689 . . . . 2.95 109.652 175.724 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 95' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -111.49 113.15 53.75 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-N 115.797 -0.638 . . . . 2.13 109.87 -179.092 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' S' S ' 96' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.53 -28.34 45.5 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.936 2.424 . . . . 0.76 113.524 -173.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' S' S ' 97' ' ' ASN . . . . . 0.404 HD22 ' HA ' ' S' ' 97' ' ' ASN . 7.6 m120 -131.12 79.07 71.71 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 120.845 0.355 . . . . 1.08 111.501 -175.25 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 98' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -89.92 167.92 4.66 Favored 'Trans proline' 0 N--CA 1.453 -0.858 0 C-N-CA 122.791 2.327 . . . . 0.53 112.477 177.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' S' S ' 99' ' ' ILE . . . . . . . . . . . . . 50.8 mm -100.78 100.98 11.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.974 0.416 . . . . 0.51 110.084 179.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' S' S ' 100' ' ' ILE . . . . . . . . . . . . . 48.1 mt -109.84 123.55 65.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.094 -0.503 . . . . 0.57 109.856 -179.264 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' S' S ' 101' ' ' ASP . . . . . . . . . . . . . 30.2 t70 64.17 14.43 8.6 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 121.507 0.67 . . . . 1.4 110.897 178.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' S' S ' 102' ' ' GLY . . . . . . . . . . . . . . . 100.41 -4.55 56.89 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.829 -0.701 . . . . 0.82 113.131 177.464 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' S' S ' 103' ' ' ARG . . . . . . . . . . . . . 9.2 mmt180 -116.95 157.33 25.92 Favored 'General case' 0 N--CA 1.452 -0.368 0 O-C-N 122.63 -0.335 . . . . 3.11 110.54 179.195 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' S' S ' 104' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -87.43 122.81 31.66 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.659 0.266 . . . . 1.98 110.581 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' S' S ' 105' ' ' ALA . . . . . . . . . . . . . . . -105.99 165.44 11.21 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.081 -0.508 . . . . 0.33 111.282 -176.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' S' S ' 106' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -110.51 109.47 19.82 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.41 -0.589 . . . . 1.99 109.41 178.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' S' S ' 107' ' ' VAL . . . . . . . . . . . . . 53.7 t -102.59 126.74 56.71 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 N-CA-C 110.051 -0.351 . . . . 0.33 110.051 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' S' S ' 108' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -162.54 157.67 22.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 1.76 109.871 -176.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' S' S ' 109' ' ' LEU . . . . . 0.696 HD11 HH12 ' S' ' 86' ' ' ARG . 96.6 mt -73.59 133.37 43.49 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.74 -0.467 . . . . 0.57 109.74 176.544 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.74 -28.97 70.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.039 0.447 . . . . 0.66 110.858 179.166 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' S' S ' 111' ' ' TYR . . . . . 0.467 ' HB2' ' HB2' ' S' ' 33' ' ' MET . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.54 0 CA-C-N 115.657 -0.701 . . . . 1.25 111.234 -179.346 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' S' S ' 33' ' ' MET . . . . . 0.422 ' HG3' ' HB2' ' S' ' 111' ' ' TYR . 55.8 ttm . . . . . 0 N--CA 1.451 -0.392 0 CA-C-O 121.009 0.433 . . . . 1.39 110.6 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' S' S ' 34' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -93.37 4.7 53.55 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.041 -0.527 . . . . 0.97 111.4 -175.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' S' S ' 35' ' ' THR . . . . . 0.636 ' O ' ' HA ' ' S' ' 82' ' ' THR . 18.3 p -110.2 -11.02 14.62 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.319 -0.4 . . . . 0.55 110.452 -178.235 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' S' S ' 36' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -94.17 103.42 15.46 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.617 -0.72 . . . . 1.95 111.068 -172.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' S' S ' 37' ' ' ILE . . . . . 0.565 HD11 ' HA ' ' S' ' 89' ' ' ALA . 72.3 mt -95.84 131.66 42.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.947 -0.57 . . . . 0.41 110.371 177.698 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' S' S ' 38' ' ' PHE . . . . . 0.463 ' HD1' ' CE1' ' S' ' 80' ' ' PHE . 92.6 t80 -98.52 123.76 42.87 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.374 -0.602 . . . . 0.45 109.374 176.558 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' S' S ' 39' ' ' VAL . . . . . . . . . . . . . 21.7 t -121.67 104.08 14.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.442 -0.345 . . . . 0.2 110.333 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' S' S ' 40' ' ' GLY . . . . . . . . . . . . . . . -114.85 165.21 12.05 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.914 -0.66 . . . . 0.27 112.073 -178.062 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' S' S ' 41' ' ' GLY . . . . . . . . . . . . . . . 94.37 25.78 15.39 Favored Glycine 0 C--O 1.229 -0.182 0 C-N-CA 121.047 -0.597 . . . . 0.49 111.999 178.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' S' S ' 42' ' ' LEU . . . . . 0.591 HD13 HG21 ' S' ' 46' ' ' THR . 69.7 mt -99.83 146.79 32.48 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-O 120.574 0.226 . . . . 0.6 110.687 -177.003 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' S' S ' 43' ' ' PRO . . . . . 0.491 ' HG3' ' HG3' ' S' ' 103' ' ' ARG . 17.2 Cg_exo -67.98 165.97 26.34 Favored 'Trans proline' 0 N--CA 1.462 -0.335 0 C-N-CA 122.444 2.096 . . . . 0.55 111.571 172.398 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' S' S ' 44' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -66.49 -16.36 64.07 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 121.373 0.606 . . . . 2.41 111.213 -178.353 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' S' S ' 45' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -84.94 -6.46 59.34 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.508 -0.769 . . . . 2.31 110.791 -174.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' S' S ' 46' ' ' THR . . . . . 0.591 HG21 HD13 ' S' ' 42' ' ' LEU . 6.5 m -75.63 110.39 9.99 Favored 'General case' 0 N--CA 1.443 -0.79 0 N-CA-C 109.584 -0.524 . . . . 0.53 109.584 -176.454 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' S' S ' 47' ' ' SER . . . . . . . . . . . . . 15.7 m -89.9 166.55 13.43 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.072 0.463 . . . . 0.68 110.754 -178.163 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' S' S ' 48' ' ' ASP . . . . . 0.424 ' CB ' ' HA ' ' S' ' 65' ' ' VAL . 30.1 p-10 -59.89 -43.71 94.64 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.874 -0.603 . . . . 1.29 110.809 178.791 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' S' S ' 49' ' ' LYS . . . . . . . . . . . . . 54.1 pttt -61.97 -31.96 72.36 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.711 -0.677 . . . . 2.5 111.229 176.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' S' S ' 50' ' ' THR . . . . . . . . . . . . . 7.8 m -68.17 -46.78 69.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.084 0.469 . . . . 0.43 110.239 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' S' S ' 51' ' ' LEU . . . . . 0.447 HD22 ' HA3' ' S' ' 79' ' ' GLY . 34.7 tp -59.38 -42.95 92.85 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.468 -0.787 . . . . 0.46 109.941 176.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' S' S ' 52' ' ' HIS . . . . . 0.471 ' CD2' HD12 ' S' ' 61' ' ' ILE . 58.5 t-80 -61.85 -46.73 88.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.558 -0.746 . . . . 0.55 110.629 177.431 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' S' S ' 53' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -54.02 -38.04 64.72 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 122.761 0.424 . . . . 2.24 111.464 -177.168 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' S' S ' 54' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -77.25 -41.58 40.52 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.98 0.419 . . . . 0.55 111.52 -177.309 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' S' S ' 55' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -85.03 -20.15 30.88 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.33 0.493 . . . . 0.5 112.33 -174.202 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' S' S ' 56' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -57.04 -23.54 47.24 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.435 0.636 . . . . 1.47 110.228 178.396 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' S' S ' 57' ' ' GLN . . . . . . . . . . . . . 19.3 tp60 -55.64 -34.24 64.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.141 -0.936 . . . . 2.98 111.541 174.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' S' S ' 58' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -93.24 -6.37 47.77 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 112.093 0.405 . . . . 0.65 112.093 -172.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' S' S ' 59' ' ' GLY . . . . . . . . . . . . . . . 141.71 -168.63 25.5 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.444 -0.884 . . . . 0.44 112.997 177.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' S' S ' 60' ' ' ASP . . . . . 0.712 ' HB2' ' HD2' ' S' ' 84' ' ' LYS . 10.1 m-20 -72.14 143.32 49.0 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 120.9 0.381 . . . . 1.99 110.786 -178.17 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' S' S ' 61' ' ' ILE . . . . . 0.779 HG21 ' HB2' ' S' ' 64' ' ' ALA . 61.6 mt -119.8 125.34 74.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.936 -0.575 . . . . 0.43 110.498 -178.094 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' S' S ' 62' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -81.03 -31.51 34.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 1.91 110.96 -178.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' S' S ' 63' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -155.11 116.99 4.12 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.034 -0.53 . . . . 1.81 110.062 -177.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' S' S ' 64' ' ' ALA . . . . . 0.779 ' HB2' HG21 ' S' ' 61' ' ' ILE . . . -139.39 100.9 4.11 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.733 0.301 . . . . 0.38 110.355 177.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' S' S ' 65' ' ' VAL . . . . . 0.424 ' HA ' ' CB ' ' S' ' 48' ' ' ASP . 21.6 m -140.27 142.26 31.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 120.808 0.337 . . . . 0.36 111.082 -177.449 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' S' S ' 66' ' ' VAL . . . . . . . . . . . . . 91.7 t -90.12 118.06 34.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 108.337 -0.986 . . . . 0.3 108.337 171.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' S' S ' 67' ' ' ILE . . . . . 0.451 HG22 ' HD3' ' S' ' 76' ' ' ARG . 46.8 mm -68.83 123.95 23.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.25 -0.432 . . . . 0.47 111.466 -171.232 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' S' S ' 68' ' ' THR . . . . . . . . . . . . . 7.7 p -93.34 146.94 23.36 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 115.627 -0.715 . . . . 0.78 109.88 176.322 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' S' S ' 69' ' ' ASP . . . . . 0.539 ' O ' ' HA ' ' S' ' 73' ' ' GLN . 18.2 t70 -65.52 149.72 49.58 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.238 -0.437 . . . . 1.75 110.802 -179.589 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' S' S ' 70' ' ' ARG . . . . . . . . . . . . . 57.5 mtp180 -78.92 -29.76 44.38 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.345 -0.389 . . . . 4.02 111.058 -175.198 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' S' S ' 71' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -86.34 -56.24 3.53 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.369 -0.378 . . . . 2.64 111.536 -179.104 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' S' S ' 72' ' ' THR . . . . . . . . . . . . . 61.5 p -86.1 -24.16 26.39 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.189 -0.46 . . . . 1.84 111.937 -175.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' S' S ' 73' ' ' GLN . . . . . 0.869 ' HA ' HE21 ' S' ' 73' ' ' GLN . 0.0 OUTLIER 66.17 19.38 11.1 Favored 'General case' 0 N--CA 1.465 0.318 0 O-C-N 123.573 0.546 . . . . 2.35 111.166 -176.394 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' S' S ' 74' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -94.66 162.73 13.66 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.038 -0.528 . . . . 2.77 109.786 177.275 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' S' S ' 75' ' ' SER . . . . . . . . . . . . . 47.8 t -63.42 137.97 58.35 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.86 0.362 . . . . 1.51 110.679 -179.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' S' S ' 76' ' ' ARG . . . . . 0.451 ' HD3' HG22 ' S' ' 67' ' ' ILE . 32.8 mtp85 -93.48 3.17 55.99 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.262 -0.427 . . . . 2.54 111.287 -178.321 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' S' S ' 77' ' ' GLY . . . . . . . . . . . . . . . 87.14 20.32 53.14 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.592 -0.813 . . . . 0.53 114.077 172.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' S' S ' 78' ' ' TYR . . . . . . . . . . . . . 39.0 p90 -166.27 159.37 14.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 117.144 0.472 . . . . 0.6 110.455 178.506 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' S' S ' 79' ' ' GLY . . . . . 0.447 ' HA3' HD22 ' S' ' 51' ' ' LEU . . . -140.64 165.43 26.13 Favored Glycine 0 N--CA 1.447 -0.628 0 N-CA-C 111.411 -0.676 . . . . 0.17 111.411 179.301 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' S' S ' 80' ' ' PHE . . . . . 0.463 ' CE1' ' HD1' ' S' ' 38' ' ' PHE . 96.6 m-85 -113.78 137.56 51.47 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 110.118 -0.327 . . . . 0.39 110.118 177.662 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' S' S ' 81' ' ' VAL . . . . . . . . . . . . . 37.4 t -121.47 112.73 36.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.182 -0.463 . . . . 0.24 110.262 178.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' S' S ' 82' ' ' THR . . . . . 0.636 ' HA ' ' O ' ' S' ' 35' ' ' THR . 23.2 m -102.39 107.11 18.01 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.295 -0.631 . . . . 0.3 109.295 176.307 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' S' S ' 83' ' ' MET . . . . . 0.494 ' SD ' HG12 ' S' ' 61' ' ' ILE . 92.4 mmm -79.81 159.11 26.63 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 110.104 -0.332 . . . . 0.72 110.104 -178.04 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' S' S ' 84' ' ' LYS . . . . . 0.712 ' HD2' ' HB2' ' S' ' 60' ' ' ASP . 9.8 ptmm? -66.7 -28.66 68.62 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 121.086 0.47 . . . . 2.21 110.475 -179.734 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' S' S ' 85' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -135.46 153.86 51.62 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 116.061 -0.518 . . . . 1.85 111.186 -178.036 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' S' S ' 86' ' ' ARG . . . . . . . . . . . . . 82.3 mtm180 -67.2 -27.33 67.17 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.295 -0.866 . . . . 3.96 110.171 178.166 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' S' S ' 87' ' ' ALA . . . . . 0.518 ' O ' ' HG3' ' S' ' 90' ' ' GLU . . . -66.74 -40.08 88.19 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.146 -0.479 . . . . 0.62 110.748 177.203 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' S' S ' 88' ' ' SER . . . . . . . . . . . . . 15.3 m -67.74 -33.45 74.88 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.225 0.536 . . . . 0.88 110.196 177.291 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' S' S ' 89' ' ' ALA . . . . . 0.565 ' HA ' HD11 ' S' ' 37' ' ' ILE . . . -65.31 -46.91 78.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.506 -0.77 . . . . 0.35 111.182 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' S' S ' 90' ' ' GLU . . . . . 0.613 ' O ' ' HG2' ' S' ' 94' ' ' LYS . 2.6 pp20? -66.98 -30.55 70.69 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.739 -0.384 . . . . 1.85 111.033 -179.022 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' S' S ' 91' ' ' ARG . . . . . 0.508 ' HG3' ' O ' ' S' ' 87' ' ' ALA . 99.3 mtt180 -57.03 -50.78 71.67 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 121.005 0.431 . . . . 2.92 110.591 175.411 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' S' S ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.13 -28.88 66.85 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.864 -0.607 . . . . 0.47 111.008 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' S' S ' 93' ' ' CYS . . . . . . . . . . . . . 49.8 t -80.52 -9.68 59.76 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.081 -0.509 . . . . 1.35 111.438 -177.059 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' S' S ' 94' ' ' LYS . . . . . 0.613 ' HG2' ' O ' ' S' ' 90' ' ' GLU . 28.6 mmtp -74.29 -9.86 59.02 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 122.258 -0.276 . . . . 2.95 111.555 178.404 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' S' S ' 95' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -120.97 89.26 45.75 Favored Pre-proline 0 C--N 1.327 -0.404 0 N-CA-C 108.667 -0.864 . . . . 2.13 108.667 172.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' S' S ' 96' ' ' PRO . . . . . 0.418 ' C ' HD22 ' S' ' 97' ' ' ASN . 19.1 Cg_exo -67.84 -29.83 34.47 Favored 'Trans proline' 0 C--O 1.234 0.276 0 C-N-CA 122.997 2.465 . . . . 0.76 113.709 -171.025 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' S' S ' 97' ' ' ASN . . . . . 0.418 HD22 ' C ' ' S' ' 96' ' ' PRO . 0.8 OUTLIER -128.78 77.18 78.04 Favored Pre-proline 0 N--CA 1.467 0.404 0 CA-C-O 120.556 0.217 . . . . 1.08 110.963 -178.266 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' S' S ' 98' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -84.91 151.86 11.2 Favored 'Trans proline' 0 N--CA 1.455 -0.782 0 C-N-CA 123.198 2.599 . . . . 0.53 112.095 178.476 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' S' S ' 99' ' ' ILE . . . . . . . . . . . . . 48.9 mm -93.31 108.32 20.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 116.012 -0.54 . . . . 0.51 110.544 178.14 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' S' S ' 100' ' ' ILE . . . . . . . . . . . . . 62.7 mt -116.82 122.85 70.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.51 -0.768 . . . . 0.57 109.473 179.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' S' S ' 101' ' ' ASP . . . . . . . . . . . . . 38.5 t70 65.67 15.47 10.06 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 121.913 0.863 . . . . 1.4 110.358 -178.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' S' S ' 102' ' ' GLY . . . . . . . . . . . . . . . 89.72 -0.81 80.41 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.75 -0.738 . . . . 0.82 111.55 -177.29 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' S' S ' 103' ' ' ARG . . . . . 0.491 ' HG3' ' HG3' ' S' ' 43' ' ' PRO . 35.4 mmt180 -103.18 151.84 22.15 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-O 120.801 0.334 . . . . 3.11 110.794 -179.468 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' S' S ' 104' ' ' LYS . . . . . 0.403 ' HE3' ' HB2' ' S' ' 104' ' ' LYS . 35.5 ttmt -89.51 108.82 19.88 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.239 -0.437 . . . . 1.98 110.172 -178.604 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' S' S ' 105' ' ' ALA . . . . . . . . . . . . . . . -94.44 157.62 15.92 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.235 -0.439 . . . . 0.33 111.113 -177.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' S' S ' 106' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -111.23 110.06 20.37 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.906 -0.588 . . . . 1.99 109.66 178.304 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' S' S ' 107' ' ' VAL . . . . . . . . . . . . . 75.2 t -109.7 127.08 66.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 120.958 0.409 . . . . 0.33 110.669 -178.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' S' S ' 108' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -163.97 151.74 12.6 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.786 -0.643 . . . . 1.76 109.903 -179.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' S' S ' 109' ' ' LEU . . . . . . . . . . . . . 94.8 mt -65.77 129.94 41.53 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.439 -0.578 . . . . 0.57 109.439 175.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' S' S ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.28 -24.27 67.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.021 0.439 . . . . 0.66 111.189 -176.215 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' S' S ' 111' ' ' TYR . . . . . 0.422 ' HB2' ' HG3' ' S' ' 33' ' ' MET . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.441 0 CA-C-N 115.762 -0.654 . . . . 1.25 110.986 179.653 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 25.6 ttt . . . . . 0 N--CA 1.456 -0.135 0 CA-C-O 121.121 0.486 . . . . 1.39 110.745 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' S' S ' 34' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -108.67 14.45 24.44 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.991 -0.549 . . . . 0.97 111.65 -175.023 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' S' S ' 35' ' ' THR . . . . . . . . . . . . . 74.9 p -123.78 -3.43 8.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.876 0.37 . . . . 0.55 110.779 -179.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' S' S ' 36' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -91.93 103.1 15.66 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.612 0.72 . . . . 1.95 110.472 -178.491 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' S' S ' 37' ' ' ILE . . . . . 0.639 HD11 ' HA ' ' S' ' 89' ' ' ALA . 63.2 mt -96.17 142.44 13.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 114.987 -1.006 . . . . 0.41 111.0 -176.66 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' S' S ' 38' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -104.91 133.28 49.97 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.875 -0.602 . . . . 0.45 109.616 173.275 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' S' S ' 39' ' ' VAL . . . . . . . . . . . . . 20.7 t -126.33 103.05 10.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.382 -0.372 . . . . 0.2 110.03 178.186 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' S' S ' 40' ' ' GLY . . . . . . . . . . . . . . . -113.79 152.82 17.91 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.471 -0.871 . . . . 0.27 112.002 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' S' S ' 41' ' ' GLY . . . . . . . . . . . . . . . 99.31 38.62 3.71 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.651 -0.785 . . . . 0.49 111.66 -179.12 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' S' S ' 42' ' ' LEU . . . . . 0.501 ' O ' ' HA2' ' S' ' 77' ' ' GLY . 57.8 mt -104.14 144.64 29.11 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-N 115.494 -0.353 . . . . 0.6 110.289 -178.104 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' S' S ' 43' ' ' PRO . . . . . 0.487 ' HD2' ' OG1' ' S' ' 46' ' ' THR . 18.4 Cg_exo -66.85 167.39 19.68 Favored 'Trans proline' 0 N--CA 1.46 -0.491 0 C-N-CA 122.292 1.994 . . . . 0.55 111.612 173.125 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' S' S ' 44' ' ' TYR . . . . . 0.824 ' HA ' ' HB3' ' S' ' 75' ' ' SER . 6.5 m-85 -73.06 -9.88 59.2 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.01 -0.541 . . . . 2.41 110.748 -175.337 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' S' S ' 45' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -89.66 -10.59 45.26 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.668 -0.696 . . . . 2.31 109.379 -178.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' S' S ' 46' ' ' THR . . . . . 0.558 HG22 HG21 ' S' ' 66' ' ' VAL . 91.1 m -85.35 110.15 18.91 Favored 'General case' 0 N--CA 1.437 -1.105 0 CA-C-N 115.464 -0.789 . . . . 0.53 109.655 -178.408 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' S' S ' 47' ' ' SER . . . . . . . . . . . . . 43.2 m -109.72 -175.05 2.64 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.835 -0.62 . . . . 0.68 110.575 -178.242 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' S' S ' 48' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -49.33 -49.49 43.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.834 -0.621 . . . . 1.29 111.216 176.012 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' S' S ' 49' ' ' LYS . . . . . 0.409 ' HG3' ' N ' ' S' ' 50' ' ' THR . 0.7 OUTLIER -58.38 -36.85 74.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.326 -0.397 . . . . 2.5 111.3 179.496 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' S' S ' 50' ' ' THR . . . . . 0.409 ' N ' ' HG3' ' S' ' 49' ' ' LYS . 4.6 m -69.71 -46.14 66.64 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 120.732 0.301 . . . . 0.43 110.809 -175.473 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' S' S ' 51' ' ' LEU . . . . . . . . . . . . . 12.5 tp -65.49 -40.09 92.68 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-O 120.936 0.398 . . . . 0.46 110.321 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' S' S ' 52' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -64.33 -46.2 84.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.55 110.303 177.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' S' S ' 53' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -51.4 -43.24 61.89 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 115.382 -0.826 . . . . 2.24 111.622 -178.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' S' S ' 54' ' ' TYR . . . . . . . . . . . . . 43.4 t80 -76.29 -41.44 48.69 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.966 -0.561 . . . . 0.55 111.604 -175.452 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' S' S ' 55' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -85.57 -20.79 29.04 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 113.033 0.753 . . . . 0.5 113.033 -172.044 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' S' S ' 56' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -60.57 -21.11 62.22 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 121.138 0.494 . . . . 1.47 111.001 -179.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' S' S ' 57' ' ' GLN . . . . . . . . . . . . . 19.8 tp60 -60.59 -36.94 79.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.048 0.452 . . . . 2.98 110.812 175.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' S' S ' 58' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -81.91 -16.56 50.17 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.435 -0.348 . . . . 0.65 111.329 -174.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' S' S ' 59' ' ' GLY . . . . . . . . . . . . . . . 156.71 178.39 30.76 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.422 -0.894 . . . . 0.44 112.724 178.327 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' S' S ' 60' ' ' ASP . . . . . 0.449 ' HB3' ' HD3' ' S' ' 84' ' ' LYS . 26.0 t70 -71.19 147.75 48.0 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-O 120.877 0.37 . . . . 1.99 110.496 178.283 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' S' S ' 61' ' ' ILE . . . . . 0.637 HG21 ' HB2' ' S' ' 64' ' ' ALA . 51.6 mt -122.93 139.21 50.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.801 -0.636 . . . . 0.43 111.288 -169.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' S' S ' 62' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -88.41 -48.57 7.53 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.072 0.463 . . . . 1.91 110.624 174.548 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' S' S ' 63' ' ' GLU . . . . . 0.487 ' O ' ' HA ' ' S' ' 81' ' ' VAL . 3.4 tp10 -128.91 124.89 36.34 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.882 -0.599 . . . . 1.81 109.938 -176.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' S' S ' 64' ' ' ALA . . . . . 0.637 ' HB2' HG21 ' S' ' 61' ' ' ILE . . . -149.95 99.5 2.84 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.783 0.325 . . . . 0.38 110.493 176.387 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' S' S ' 65' ' ' VAL . . . . . . . . . . . . . 30.9 m -146.0 142.44 21.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.944 -0.571 . . . . 0.36 110.708 179.58 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' S' S ' 66' ' ' VAL . . . . . 0.558 HG21 HG22 ' S' ' 46' ' ' THR . 87.6 t -95.18 126.17 47.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 107.606 -1.257 . . . . 0.3 107.606 168.626 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' S' S ' 67' ' ' ILE . . . . . . . . . . . . . 50.6 mm -68.43 127.33 30.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.035 0.445 . . . . 0.47 110.875 -170.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' S' S ' 68' ' ' THR . . . . . . . . . . . . . 37.4 p -101.3 144.25 30.37 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 115.464 -0.789 . . . . 0.78 111.318 -176.116 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' S' S ' 69' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -59.55 140.01 56.67 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.458 -0.792 . . . . 1.75 109.891 175.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' S' S ' 70' ' ' ARG . . . . . . . . . . . . . 38.1 mmt180 -74.27 -15.62 60.97 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.238 0.459 . . . . 4.02 112.238 -174.409 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' S' S ' 71' ' ' ASN . . . . . . . . . . . . . 14.3 m-80 -93.84 -56.27 2.94 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.127 0.489 . . . . 2.64 110.25 -176.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' S' S ' 72' ' ' THR . . . . . . . . . . . . . 31.9 p -96.07 -15.23 22.33 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.575 -0.738 . . . . 1.84 112.259 -174.126 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' S' S ' 73' ' ' GLN . . . . . 0.892 ' HA ' HE21 ' S' ' 73' ' ' GLN . 0.0 OUTLIER 64.66 24.26 12.92 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.13 0.49 . . . . 2.35 111.083 -177.53 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' S' S ' 74' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -92.14 165.45 13.14 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.862 -0.608 . . . . 2.77 110.342 177.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' S' S ' 75' ' ' SER . . . . . 0.824 ' HB3' ' HA ' ' S' ' 44' ' ' TYR . 35.8 t -66.36 140.43 58.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.433 -0.348 . . . . 1.51 110.767 179.036 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' S' S ' 76' ' ' ARG . . . . . . . . . . . . . 67.9 mtp180 -101.18 6.04 42.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.066 0.46 . . . . 2.54 110.776 177.207 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' S' S ' 77' ' ' GLY . . . . . 0.501 ' HA2' ' O ' ' S' ' 42' ' ' LEU . . . 90.13 20.85 40.75 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.828 -0.701 . . . . 0.53 114.368 173.089 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' S' S ' 78' ' ' TYR . . . . . . . . . . . . . 46.1 p90 -162.25 151.48 15.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 117.567 0.684 . . . . 0.6 110.976 177.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' S' S ' 79' ' ' GLY . . . . . . . . . . . . . . . -147.59 175.85 26.72 Favored Glycine 0 N--CA 1.444 -0.794 0 C-N-CA 121.162 -0.542 . . . . 0.17 111.878 177.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' S' S ' 80' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -128.38 141.56 51.38 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 110.273 -0.269 . . . . 0.39 110.273 179.081 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' S' S ' 81' ' ' VAL . . . . . 0.487 ' HA ' ' O ' ' S' ' 63' ' ' GLU . 49.9 t -130.75 115.66 31.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.067 0.46 . . . . 0.24 110.652 178.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' S' S ' 82' ' ' THR . . . . . . . . . . . . . 24.6 m -101.02 113.33 26.22 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.734 -0.469 . . . . 0.3 109.734 176.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' S' S ' 83' ' ' MET . . . . . . . . . . . . . 91.9 mmm -88.56 167.3 13.52 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 123.645 0.59 . . . . 0.72 110.951 -175.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' S' S ' 84' ' ' LYS . . . . . 0.449 ' HD3' ' HB3' ' S' ' 60' ' ' ASP . 13.4 pttm -80.74 -26.66 37.2 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 116.305 -0.407 . . . . 2.21 111.085 -178.182 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' S' S ' 85' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -129.19 151.11 50.22 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 116.295 -0.412 . . . . 1.85 110.741 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' S' S ' 86' ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -66.3 -31.93 73.03 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.933 -0.766 . . . . 3.96 108.933 172.35 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' S' S ' 87' ' ' ALA . . . . . 0.459 ' O ' ' HG3' ' S' ' 91' ' ' ARG . . . -61.78 -43.82 98.1 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.772 -0.649 . . . . 0.62 110.633 176.646 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' S' S ' 88' ' ' SER . . . . . . . . . . . . . 10.6 m -64.38 -35.08 79.73 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.091 0.472 . . . . 0.88 110.042 177.412 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' S' S ' 89' ' ' ALA . . . . . 0.639 ' HA ' HD11 ' S' ' 37' ' ' ILE . . . -67.41 -48.76 66.4 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.618 -0.719 . . . . 0.35 111.033 179.783 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' S' S ' 90' ' ' GLU . . . . . 0.402 ' HG2' ' HA ' ' S' ' 87' ' ' ALA . 11.9 pt-20 -70.2 -23.14 62.9 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.808 -0.178 . . . . 1.85 111.048 -178.389 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' S' S ' 91' ' ' ARG . . . . . 0.459 ' HG3' ' O ' ' S' ' 87' ' ' ALA . 95.8 mtt180 -66.14 -39.05 89.56 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.017 0.437 . . . . 2.92 110.099 171.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' S' S ' 92' ' ' ALA . . . . . . . . . . . . . . . -74.29 -40.08 62.51 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.834 -0.621 . . . . 0.47 110.653 177.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' S' S ' 93' ' ' CYS . . . . . . . . . . . . . 73.8 m -73.43 -8.22 54.99 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.117 -0.492 . . . . 1.35 111.094 178.05 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' S' S ' 94' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -64.99 -24.32 67.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.06 0.457 . . . . 2.95 109.966 176.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' S' S ' 95' ' ' ASP . . . . . 0.421 ' HA ' ' HD3' ' S' ' 96' ' ' PRO . 36.6 t0 -109.72 99.12 36.67 Favored Pre-proline 0 C--N 1.328 -0.34 0 N-CA-C 108.561 -0.903 . . . . 2.13 108.561 172.708 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' S' S ' 96' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' S' ' 95' ' ' ASP . 11.4 Cg_exo -71.59 -21.95 25.01 Favored 'Trans proline' 0 C--O 1.234 0.312 0 C-N-CA 123.073 2.515 . . . . 0.76 113.398 -171.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' S' S ' 97' ' ' ASN . . . . . 0.702 ' HA ' ' O ' ' S' ' 105' ' ' ALA . 0.3 OUTLIER -152.51 67.89 6.87 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-O 120.759 0.314 . . . . 1.08 111.49 -175.801 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' S' S ' 98' ' ' PRO . . . . . 0.507 ' O ' ' HA ' ' S' ' 104' ' ' LYS . 92.4 Cg_endo -79.61 157.8 25.06 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.967 2.444 . . . . 0.53 112.667 -178.206 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' S' S ' 99' ' ' ILE . . . . . . . . . . . . . 43.1 mm -87.18 100.78 10.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.299 -0.41 . . . . 0.51 110.375 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' S' S ' 100' ' ' ILE . . . . . . . . . . . . . 48.1 mt -111.46 118.51 57.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 116.189 -0.459 . . . . 0.57 109.88 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' S' S ' 101' ' ' ASP . . . . . . . . . . . . . 37.6 t0 60.73 30.08 19.45 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 121.795 0.807 . . . . 1.4 110.476 177.379 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' S' S ' 102' ' ' GLY . . . . . . . . . . . . . . . 87.13 12.91 67.12 Favored Glycine 0 N--CA 1.45 -0.391 0 CA-C-N 115.584 -0.735 . . . . 0.82 113.33 177.159 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' S' S ' 103' ' ' ARG . . . . . . . . . . . . . 5.7 tpp180 -138.28 135.98 36.02 Favored 'General case' 0 C--N 1.322 -0.592 0 O-C-N 122.197 -0.59 . . . . 3.11 109.938 179.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' S' S ' 104' ' ' LYS . . . . . 0.507 ' HA ' ' O ' ' S' ' 98' ' ' PRO . 0.2 OUTLIER -77.1 109.58 11.06 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.665 0.745 . . . . 1.98 109.921 179.498 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' S' S ' 105' ' ' ALA . . . . . 0.702 ' O ' ' HA ' ' S' ' 97' ' ' ASN . . . -85.36 156.93 20.67 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.187 -0.915 . . . . 0.33 110.747 -176.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' S' S ' 106' ' ' ASN . . . . . 0.514 HD22 ' N ' ' S' ' 106' ' ' ASN . 0.8 OUTLIER -102.69 109.49 21.1 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 109.217 -0.66 . . . . 1.99 109.217 -179.489 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' S' S ' 107' ' ' VAL . . . . . . . . . . . . . 43.6 t -104.98 126.46 59.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.403 -0.362 . . . . 0.33 110.406 -177.49 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' S' S ' 108' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -164.81 161.85 20.65 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.316 -0.624 . . . . 1.76 109.316 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' S' S ' 109' ' ' LEU . . . . . . . . . . . . . 95.1 mt -77.77 134.91 37.95 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.001 0.429 . . . . 0.57 110.279 -179.456 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' S' S ' 110' ' ' ALA . . . . . . . . . . . . . . . -72.77 -14.43 61.54 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.895 0.702 . . . . 0.66 112.895 -171.257 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' S' S ' 111' ' ' TYR . . . . . . . . . . . . . 8.9 p90 . . . . . 0 CA--C 1.532 0.288 0 CA-C-O 120.821 0.343 . . . . 1.25 111.385 -175.754 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' S' S ' 33' ' ' MET . . . . . 0.611 ' HB3' ' HB3' ' S' ' 111' ' ' TYR . 46.7 mtm . . . . . 0 N--CA 1.457 -0.118 0 CA-C-O 120.923 0.392 . . . . 1.39 110.608 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' S' S ' 34' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -100.99 4.49 42.49 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.942 -0.572 . . . . 0.97 111.756 -174.113 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' S' S ' 35' ' ' THR . . . . . 0.505 ' O ' ' HA ' ' S' ' 82' ' ' THR . 15.7 p -124.77 -9.01 7.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.082 0.467 . . . . 0.55 110.872 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' S' S ' 36' ' ' LYS . . . . . . . . . . . . . 74.3 tttt -98.66 113.87 26.11 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.69 -0.686 . . . . 1.95 109.917 179.189 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' S' S ' 37' ' ' ILE . . . . . 0.496 HD11 ' HA ' ' S' ' 89' ' ' ALA . 41.8 mt -108.0 143.09 19.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 115.804 -0.635 . . . . 0.41 111.296 -175.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' S' S ' 38' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -102.84 122.94 45.54 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.3 -0.629 . . . . 0.45 109.3 176.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' S' S ' 39' ' ' VAL . . . . . 0.633 HG13 HG22 ' S' ' 107' ' ' VAL . 38.6 t -120.74 103.79 14.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.533 -0.303 . . . . 0.2 110.496 -179.363 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' S' S ' 40' ' ' GLY . . . . . . . . . . . . . . . -108.02 151.98 16.97 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.399 -0.905 . . . . 0.27 112.067 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' S' S ' 41' ' ' GLY . . . . . . . . . . . . . . . 104.28 37.14 2.94 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.576 -0.821 . . . . 0.49 111.863 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' S' S ' 42' ' ' LEU . . . . . 0.523 HD11 HD13 ' S' ' 51' ' ' LEU . 88.0 mt -105.9 130.07 23.6 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-O 120.643 0.258 . . . . 0.6 111.052 -177.722 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' S' S ' 43' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -56.12 162.81 6.89 Favored 'Trans proline' 0 CA--C 1.532 0.417 0 C-N-CA 123.164 2.576 . . . . 0.55 112.58 175.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' S' S ' 44' ' ' TYR . . . . . 0.693 ' HA ' ' HB3' ' S' ' 75' ' ' SER . 29.0 m-85 -62.87 -30.92 71.88 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.752 -0.658 . . . . 2.41 112.056 -173.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' S' S ' 45' ' ' HIS . . . . . . . . . . . . . 3.7 p80 -94.17 12.11 27.75 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.194 0.521 . . . . 2.31 111.395 -176.265 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' S' S ' 46' ' ' THR . . . . . . . . . . . . . 87.0 m -85.47 109.88 18.78 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.15 -0.685 . . . . 0.53 109.15 175.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' S' S ' 47' ' ' SER . . . . . . . . . . . . . 13.9 m -102.18 -176.63 3.17 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.189 -0.46 . . . . 0.68 111.018 -173.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' S' S ' 48' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -54.12 -44.75 71.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.667 -0.697 . . . . 1.29 110.361 177.154 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' S' S ' 49' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -58.71 -40.35 83.46 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.619 -0.719 . . . . 2.5 111.522 179.242 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' S' S ' 50' ' ' THR . . . . . . . . . . . . . 3.0 m -66.61 -48.35 69.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.832 0.349 . . . . 0.43 110.568 -178.196 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' S' S ' 51' ' ' LEU . . . . . 0.523 HD13 HD11 ' S' ' 42' ' ' LEU . 32.6 tp -62.2 -47.57 83.87 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-O 121.217 0.532 . . . . 0.46 110.504 178.518 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' S' S ' 52' ' ' HIS . . . . . . . . . . . . . 16.9 t-80 -60.22 -51.33 70.03 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.652 -0.703 . . . . 0.55 111.506 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' S' S ' 53' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -55.21 -49.84 70.94 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.597 0.237 . . . . 2.24 111.605 -176.2 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' S' S ' 54' ' ' TYR . . . . . . . . . . . . . 92.2 t80 -63.88 -41.77 97.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.492 -0.322 . . . . 0.55 111.613 -176.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' S' S ' 55' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -85.36 -22.2 28.54 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 112.537 0.569 . . . . 0.5 112.537 -173.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' S' S ' 56' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -68.81 -17.67 64.05 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.199 0.523 . . . . 1.47 109.89 178.267 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' S' S ' 57' ' ' GLN . . . . . . . . . . . . . 35.6 tp60 -58.8 -33.63 70.58 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.724 -0.671 . . . . 2.98 110.355 172.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' S' S ' 58' ' ' PHE . . . . . 0.411 ' HB3' ' CB ' ' S' ' 91' ' ' ARG . 52.4 m-85 -85.62 -29.97 23.64 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.173 -0.467 . . . . 0.65 110.665 -177.438 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' S' S ' 59' ' ' GLY . . . . . . . . . . . . . . . 172.55 165.85 30.22 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.994 -0.622 . . . . 0.44 112.749 178.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' S' S ' 60' ' ' ASP . . . . . 0.677 ' HB3' ' HD3' ' S' ' 84' ' ' LYS . 26.1 t70 -56.95 139.71 51.04 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.21 0.528 . . . . 1.99 111.548 178.425 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' S' S ' 61' ' ' ILE . . . . . 0.725 HG21 ' HB2' ' S' ' 64' ' ' ALA . 57.8 mt -118.21 145.44 24.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.593 -0.731 . . . . 0.43 110.394 -176.298 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' S' S ' 62' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -92.84 -53.84 4.0 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.991 0.424 . . . . 1.91 110.393 177.336 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' S' S ' 63' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -136.4 118.34 15.26 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.997 -0.547 . . . . 1.81 110.021 179.185 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' S' S ' 64' ' ' ALA . . . . . 0.725 ' HB2' HG21 ' S' ' 61' ' ' ILE . . . -135.74 100.49 4.48 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 110.001 -0.37 . . . . 0.38 110.001 177.457 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' S' S ' 65' ' ' VAL . . . . . . . . . . . . . 30.8 m -133.02 138.96 50.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 121.003 0.43 . . . . 0.36 110.912 -178.004 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' S' S ' 66' ' ' VAL . . . . . . . . . . . . . 61.7 t -88.64 122.9 40.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 108.356 -0.979 . . . . 0.3 108.356 173.446 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' S' S ' 67' ' ' ILE . . . . . . . . . . . . . 47.3 mm -68.24 131.34 33.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 120.924 0.392 . . . . 0.47 110.575 -172.028 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' S' S ' 68' ' ' THR . . . . . . . . . . . . . 21.5 p -104.32 150.8 24.14 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.842 -0.617 . . . . 0.78 111.283 -176.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' S' S ' 69' ' ' ASP . . . . . 0.472 ' O ' ' HA ' ' S' ' 73' ' ' GLN . 24.1 t70 -73.62 140.11 45.95 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.535 -0.757 . . . . 1.75 109.714 175.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' S' S ' 70' ' ' ARG . . . . . . . . . . . . . 28.3 mmm180 -76.59 -21.71 55.21 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 112.183 0.438 . . . . 4.02 112.183 -174.303 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' S' S ' 71' ' ' ASN . . . . . . . . . . . . . 22.7 m120 -94.81 -50.72 5.01 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 111.877 0.325 . . . . 2.64 111.877 -175.359 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' S' S ' 72' ' ' THR . . . . . . . . . . . . . 50.1 p -92.36 -22.68 19.55 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.455 -0.338 . . . . 1.84 111.331 -178.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' S' S ' 73' ' ' GLN . . . . . 0.472 ' HA ' ' O ' ' S' ' 69' ' ' ASP . 13.7 mm-40 65.42 31.04 10.61 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.039 -0.528 . . . . 2.35 111.933 -178.339 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' S' S ' 74' ' ' LYS . . . . . . . . . . . . . 34.2 mttp -103.12 173.73 6.17 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.009 -0.541 . . . . 2.77 109.79 170.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' S' S ' 75' ' ' SER . . . . . 0.693 ' HB3' ' HA ' ' S' ' 44' ' ' TYR . 41.4 t -65.84 140.82 58.41 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.043 0.449 . . . . 1.51 111.256 -178.633 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' S' S ' 76' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -70.95 -20.95 62.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.611 -0.722 . . . . 2.54 109.959 172.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' S' S ' 77' ' ' GLY . . . . . 0.463 ' HA2' ' O ' ' S' ' 42' ' ' LEU . . . 104.38 11.82 30.43 Favored Glycine 0 N--CA 1.444 -0.828 0 C-N-CA 120.699 -0.763 . . . . 0.53 111.898 -177.647 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' S' S ' 78' ' ' TYR . . . . . . . . . . . . . 29.7 p90 -157.92 158.11 34.38 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 120.741 0.305 . . . . 0.6 110.714 178.184 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' S' S ' 79' ' ' GLY . . . . . . . . . . . . . . . -139.0 165.78 25.57 Favored Glycine 0 N--CA 1.45 -0.369 0 CA-C-N 116.144 -0.48 . . . . 0.17 111.978 178.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' S' S ' 80' ' ' PHE . . . . . 0.457 ' O ' ' HA ' ' S' ' 64' ' ' ALA . 63.9 m-85 -114.43 136.07 53.41 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.666 0.269 . . . . 0.39 110.625 177.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' S' S ' 81' ' ' VAL . . . . . . . . . . . . . 25.9 t -124.81 113.73 37.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.292 -0.413 . . . . 0.24 110.541 177.615 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' S' S ' 82' ' ' THR . . . . . 0.505 ' HA ' ' O ' ' S' ' 35' ' ' THR . 11.2 m -109.5 109.27 20.03 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.844 -0.799 . . . . 0.3 108.844 176.081 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' S' S ' 83' ' ' MET . . . . . 0.544 ' HA ' ' HA ' ' S' ' 61' ' ' ILE . 5.1 mtp -94.62 172.29 8.27 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.354 -0.384 . . . . 0.72 110.605 -170.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' S' S ' 84' ' ' LYS . . . . . 0.677 ' HD3' ' HB3' ' S' ' 60' ' ' ASP . 22.2 pttm -66.0 -36.94 84.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.261 -0.427 . . . . 2.21 111.701 -177.478 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' S' S ' 85' ' ' ASP . . . . . 0.467 ' HB3' ' HG3' ' S' ' 84' ' ' LYS . 0.0 OUTLIER -144.25 164.04 31.9 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.019 0.438 . . . . 1.85 111.208 -172.631 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' S' S ' 86' ' ' ARG . . . . . 0.433 ' O ' ' HG3' ' S' ' 90' ' ' GLU . 67.5 mtm180 -72.31 -30.31 64.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.866 -0.606 . . . . 3.96 112.231 -175.469 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' S' S ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.85 -39.9 83.75 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.047 0.451 . . . . 0.62 110.005 -179.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' S' S ' 88' ' ' SER . . . . . . . . . . . . . 15.3 m -61.85 -38.24 87.49 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.75 -0.659 . . . . 0.88 109.69 174.181 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' S' S ' 89' ' ' ALA . . . . . 0.496 ' HA ' HD11 ' S' ' 37' ' ' ILE . . . -65.99 -38.91 89.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.621 -0.718 . . . . 0.35 111.384 -179.039 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' S' S ' 90' ' ' GLU . . . . . 0.58 ' HA ' ' SG ' ' S' ' 93' ' ' CYS . 44.0 mt-10 -70.01 -31.54 69.26 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.431 -0.35 . . . . 1.85 110.761 178.086 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' S' S ' 91' ' ' ARG . . . . . 0.411 ' CB ' ' HB3' ' S' ' 58' ' ' PHE . 86.3 mtt180 -62.2 -33.73 75.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.936 0.398 . . . . 2.92 110.26 172.466 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' S' S ' 92' ' ' ALA . . . . . . . . . . . . . . . -76.0 -39.77 55.09 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.811 -0.632 . . . . 0.47 111.409 -177.391 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' S' S ' 93' ' ' CYS . . . . . 0.58 ' SG ' ' HA ' ' S' ' 90' ' ' GLU . 12.3 p -94.69 8.85 41.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.983 0.42 . . . . 1.35 110.9 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' S' S ' 94' ' ' LYS . . . . . . . . . . . . . 4.4 tptm -58.03 -36.86 73.33 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.862 -0.608 . . . . 2.95 110.487 175.355 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' S' S ' 95' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -109.53 105.25 56.96 Favored Pre-proline 0 C--N 1.324 -0.529 0 N-CA-C 108.497 -0.927 . . . . 2.13 108.497 173.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' S' S ' 96' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -66.37 -18.01 54.6 Favored 'Trans proline' 0 N--CA 1.463 -0.286 0 C-N-CA 122.575 2.184 . . . . 0.76 112.342 -177.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' S' S ' 97' ' ' ASN . . . . . 0.531 ' HA ' ' O ' ' S' ' 105' ' ' ALA . 0.8 OUTLIER -133.34 70.76 77.03 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.241 -0.436 . . . . 1.08 110.607 -178.367 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' S' S ' 98' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -78.43 154.26 27.77 Favored 'Trans proline' 0 N--CA 1.461 -0.422 0 C-N-CA 122.992 2.462 . . . . 0.53 112.329 -178.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' S' S ' 99' ' ' ILE . . . . . . . . . . . . . 34.5 mm -95.71 95.9 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.008 -0.542 . . . . 0.51 110.139 178.14 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' S' S ' 100' ' ' ILE . . . . . . . . . . . . . 57.6 mt -106.54 114.71 46.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 116.063 -0.517 . . . . 0.57 110.382 -177.429 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' S' S ' 101' ' ' ASP . . . . . . . . . . . . . 32.6 t70 65.92 15.79 10.2 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 121.864 0.84 . . . . 1.4 110.605 177.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' S' S ' 102' ' ' GLY . . . . . . . . . . . . . . . 94.93 4.6 61.5 Favored Glycine 0 N--CA 1.447 -0.578 0 CA-C-N 115.653 -0.703 . . . . 0.82 112.231 -178.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' S' S ' 103' ' ' ARG . . . . . 0.448 ' HD2' ' HA ' ' S' ' 103' ' ' ARG . 18.1 tpt180 -113.78 136.09 53.23 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 110.117 -0.327 . . . . 3.11 110.117 178.316 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' S' S ' 104' ' ' LYS . . . . . 0.509 ' HD3' ' OD1' ' S' ' 97' ' ' ASN . 39.4 ttmt -75.0 121.93 22.74 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.645 -0.502 . . . . 1.98 109.645 175.295 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' S' S ' 105' ' ' ALA . . . . . 0.531 ' O ' ' HA ' ' S' ' 97' ' ' ASN . . . -109.16 165.13 11.84 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.103 -0.499 . . . . 0.33 111.195 -178.396 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' S' S ' 106' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -116.54 110.15 18.19 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.803 -0.635 . . . . 1.99 109.421 175.224 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' S' S ' 107' ' ' VAL . . . . . 0.633 HG22 HG13 ' S' ' 39' ' ' VAL . 61.9 t -107.08 127.4 62.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.071 -0.513 . . . . 0.33 110.308 -178.241 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' S' S ' 108' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -150.8 148.88 29.04 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.138 -0.483 . . . . 1.76 109.868 -178.402 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' S' S ' 109' ' ' LEU . . . . . 0.414 HD23 HG12 ' S' ' 37' ' ' ILE . 95.6 mt -66.95 137.79 56.79 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 110.214 -0.291 . . . . 0.57 110.214 178.508 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' S' S ' 110' ' ' ALA . . . . . . . . . . . . . . . -58.68 -37.11 75.34 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.755 0.65 . . . . 0.66 112.755 -172.007 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' S' S ' 111' ' ' TYR . . . . . 0.611 ' HB3' ' HB3' ' S' ' 33' ' ' MET . 8.4 p90 . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 120.675 0.274 . . . . 1.25 111.55 -173.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.773 0 N-CA-C 112.043 -0.423 . . . . 11.03 112.043 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' S' S ' 26' ' ' ALA . . . . . . . . . . . . . . . 65.91 87.35 0.12 Allowed 'General case' 0 C--O 1.234 0.264 0 C-N-CA 123.187 0.595 . . . . 9.46 111.971 177.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 27' ' ' MET . . . . . . . . . . . . . 14.1 ptp -136.54 112.31 9.48 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.787 -0.642 . . . . 9.91 110.465 177.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 28' ' ' GLY . . . . . . . . . . . . . . . -126.36 77.31 0.39 Allowed Glycine 0 N--CA 1.447 -0.63 0 C-N-CA 120.892 -0.67 . . . . 5.77 111.952 178.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 29' ' ' SER . . . . . . . . . . . . . 59.4 m -153.73 151.75 29.97 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.845 -0.428 . . . . 4.45 109.845 178.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 30' ' ' ARG . . . . . . . . . . . . . 80.8 mtm180 -125.39 112.56 16.45 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.823 0.344 . . . . 7.03 110.324 179.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 31' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -81.47 -8.06 59.67 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.988 -0.551 . . . . 3.39 110.562 179.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 32' ' ' THR . . . . . . . . . . . . . 8.4 p -85.46 6.98 24.5 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.801 -0.636 . . . . 1.26 112.294 -177.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 63.2 mtm -67.51 -22.11 65.46 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.051 0.453 . . . . 1.39 111.119 -179.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 34' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -104.91 4.67 32.18 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.27 -0.423 . . . . 0.97 110.835 -178.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 35' ' ' THR . . . . . 0.441 ' O ' ' HA ' ' S' ' 82' ' ' THR . 43.5 p -124.06 -6.18 7.83 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.925 0.393 . . . . 0.55 110.693 -179.5 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 36' ' ' LYS . . . . . . . . . . . . . 45.9 tptt -88.98 97.23 11.08 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 115.767 -0.651 . . . . 1.95 110.233 -176.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 37' ' ' ILE . . . . . 0.406 HD11 ' HA ' ' S' ' 89' ' ' ALA . 64.8 mt -85.71 127.25 40.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 116.114 -0.493 . . . . 0.41 111.004 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 38' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -96.81 117.82 31.9 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.714 -0.676 . . . . 0.45 109.548 175.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 39' ' ' VAL . . . . . . . . . . . . . 21.5 t -112.88 101.39 12.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.32 -0.4 . . . . 0.2 110.197 179.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 40' ' ' GLY . . . . . . . . . . . . . . . -101.68 152.56 18.72 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.886 -0.673 . . . . 0.27 112.317 -179.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 41' ' ' GLY . . . . . . . . . . . . . . . 95.06 33.45 6.59 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.812 -0.709 . . . . 0.49 111.931 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 42' ' ' LEU . . . . . 0.437 ' O ' ' HA2' ' S' ' 77' ' ' GLY . 68.8 mt -100.13 132.9 21.99 Favored Pre-proline 0 C--N 1.322 -0.591 0 CA-C-O 120.752 0.31 . . . . 0.6 110.88 -178.072 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 43' ' ' PRO . . . . . 0.441 ' HD2' ' OG1' ' S' ' 46' ' ' THR . 31.4 Cg_exo -61.4 165.06 13.78 Favored 'Trans proline' 0 CA--C 1.532 0.381 0 C-N-CA 122.951 2.434 . . . . 0.55 112.472 176.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 44' ' ' TYR . . . . . 0.676 ' HA ' ' HB2' ' S' ' 75' ' ' SER . 8.7 m-85 -78.27 -0.5 28.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.861 -0.609 . . . . 2.41 111.878 -170.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 45' ' ' HIS . . . . . . . . . . . . . 7.3 p80 -114.78 0.65 13.89 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.946 0.403 . . . . 2.31 110.707 -179.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 46' ' ' THR . . . . . 0.441 ' OG1' ' HD2' ' S' ' 43' ' ' PRO . 55.2 m -77.54 118.1 19.63 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 109.361 -0.607 . . . . 0.53 109.361 178.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 47' ' ' SER . . . . . 0.54 ' HB2' ' HG2' ' S' ' 49' ' ' LYS . 5.6 m -97.49 174.57 6.6 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.084 0.469 . . . . 0.68 111.281 -174.227 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 48' ' ' ASP . . . . . 0.487 ' HB2' ' O ' ' S' ' 64' ' ' ALA . 17.9 p-10 -58.57 -42.71 88.62 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.172 -0.922 . . . . 1.29 109.943 175.609 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 49' ' ' LYS . . . . . 0.54 ' HG2' ' HB2' ' S' ' 47' ' ' SER . 23.5 pttm -62.86 -34.4 77.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.644 -0.707 . . . . 2.5 111.337 178.628 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 50' ' ' THR . . . . . . . . . . . . . 4.7 m -67.37 -47.11 71.36 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.178 0.513 . . . . 0.43 109.794 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 51' ' ' LEU . . . . . . . . . . . . . 15.8 tp -66.19 -40.04 90.13 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 115.421 -0.809 . . . . 0.46 110.219 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 52' ' ' HIS . . . . . . . . . . . . . 57.0 t-80 -61.32 -51.14 70.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.571 -0.74 . . . . 0.55 110.815 178.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 53' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -50.32 -42.7 53.11 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 115.656 -0.702 . . . . 2.24 111.451 179.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 54' ' ' TYR . . . . . . . . . . . . . 50.4 t80 -74.05 -42.31 60.44 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.122 0.416 . . . . 0.55 112.122 -176.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 55' ' ' PHE . . . . . . . . . . . . . 32.4 m-85 -85.67 -20.89 28.73 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 113.636 0.976 . . . . 0.5 113.636 -170.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 56' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -64.89 -15.97 62.66 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 120.619 -0.432 . . . . 1.47 110.913 -179.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 57' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -59.87 -25.38 65.01 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 115.857 -0.611 . . . . 2.98 110.865 174.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 58' ' ' PHE . . . . . 0.403 ' O ' ' HD3' ' S' ' 91' ' ' ARG . 82.6 m-85 -96.85 -15.37 21.28 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.037 0.384 . . . . 0.65 112.037 -173.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 59' ' ' GLY . . . . . . . . . . . . . . . 155.09 -173.24 33.39 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.305 -0.95 . . . . 0.44 113.057 178.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 60' ' ' ASP . . . . . 0.702 ' HB2' ' HG2' ' S' ' 84' ' ' LYS . 2.0 m-20 -65.78 128.84 37.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.801 0.334 . . . . 1.99 110.442 -179.058 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 61' ' ' ILE . . . . . 0.584 HG21 ' HB2' ' S' ' 64' ' ' ALA . 58.3 mt -102.17 121.93 53.8 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 CA-C-N 116.036 -0.529 . . . . 0.43 110.35 177.251 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 62' ' ' GLU . . . . . . . . . . . . . 74.9 mm-40 -73.01 -52.87 12.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.553 0.692 . . . . 1.91 109.574 176.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.81 137.88 33.64 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.873 -1.058 . . . . 1.81 109.75 -176.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 64' ' ' ALA . . . . . 0.584 ' HB2' HG21 ' S' ' 61' ' ' ILE . . . -146.31 103.98 3.75 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 110.031 -0.359 . . . . 0.38 110.031 177.244 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 65' ' ' VAL . . . . . . . . . . . . . 33.3 m -137.64 137.91 44.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.233 0.54 . . . . 0.36 111.277 -179.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 66' ' ' VAL . . . . . 0.426 ' HA ' ' HA2' ' S' ' 79' ' ' GLY . 73.5 t -93.63 118.12 38.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 N-CA-C 107.974 -1.121 . . . . 0.3 107.974 169.013 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 67' ' ' ILE . . . . . . . . . . . . . 49.4 mm -68.54 119.22 13.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.085 0.469 . . . . 0.47 110.902 -171.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 68' ' ' THR . . . . . . . . . . . . . 68.8 p -99.26 147.91 24.68 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.508 -0.769 . . . . 0.78 110.78 -178.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 69' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -65.66 126.0 27.03 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.419 -0.956 . . . . 1.75 108.419 171.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 70' ' ' ARG . . . . . . . . . . . . . 16.7 mmm180 -75.02 -10.43 59.47 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 113.327 0.862 . . . . 4.02 113.327 -171.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 71' ' ' ASN . . . . . 0.609 HD22 HG23 ' S' ' 72' ' ' THR . 8.1 t30 -95.1 -49.3 5.58 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.566 -0.454 . . . . 2.64 110.582 177.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 72' ' ' THR . . . . . 0.609 HG23 HD22 ' S' ' 71' ' ' ASN . 32.2 p -97.52 -15.99 20.3 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 112.16 0.429 . . . . 1.84 112.16 -174.436 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 73' ' ' GLN . . . . . 0.415 ' HA ' ' NE2' ' S' ' 73' ' ' GLN . 11.3 mm-40 62.19 36.92 14.66 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.039 -0.528 . . . . 2.35 112.416 179.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 74' ' ' LYS . . . . . . . . . . . . . 22.5 pttm -108.0 146.64 32.21 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.348 -0.612 . . . . 2.77 109.348 172.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 75' ' ' SER . . . . . 0.676 ' HB2' ' HA ' ' S' ' 44' ' ' TYR . 16.5 m -60.77 136.62 58.13 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 123.079 0.237 . . . . 1.51 110.366 177.67 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 76' ' ' ARG . . . . . . . . . . . . . 58.1 mtp180 -82.96 6.0 20.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.818 0.342 . . . . 2.54 111.08 -177.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 77' ' ' GLY . . . . . 0.437 ' HA2' ' O ' ' S' ' 42' ' ' LEU . . . 99.76 12.45 40.6 Favored Glycine 0 C--N 1.331 0.251 0 C-N-CA 121.028 -0.606 . . . . 0.53 113.582 173.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 78' ' ' TYR . . . . . . . . . . . . . 41.9 p90 -157.85 158.55 35.35 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.929 0.364 . . . . 0.6 110.934 -179.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 79' ' ' GLY . . . . . 0.426 ' HA2' ' HA ' ' S' ' 66' ' ' VAL . . . -139.42 162.4 26.12 Favored Glycine 0 N--CA 1.445 -0.71 0 N-CA-C 111.172 -0.771 . . . . 0.17 111.172 175.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 80' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -120.85 136.69 54.86 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.887 0.344 . . . . 0.39 110.97 -179.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 81' ' ' VAL . . . . . . . . . . . . . 46.9 t -124.51 115.86 45.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.911 -0.586 . . . . 0.24 110.359 177.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 82' ' ' THR . . . . . 0.441 ' HA ' ' O ' ' S' ' 35' ' ' THR . 28.1 m -96.65 108.72 21.39 Favored 'General case' 0 C--N 1.315 -0.895 0 N-CA-C 109.773 -0.454 . . . . 0.3 109.773 176.23 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 83' ' ' MET . . . . . 0.623 ' HG3' ' HA ' ' S' ' 89' ' ' ALA . 91.6 mmm -80.79 161.58 24.43 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.353 -0.385 . . . . 0.72 110.379 -179.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 84' ' ' LYS . . . . . 0.702 ' HG2' ' HB2' ' S' ' 60' ' ' ASP . 0.0 OUTLIER -68.71 -21.37 64.41 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 111.828 0.307 . . . . 2.21 111.828 -178.366 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' S' S ' 85' ' ' ASP . . . . . 0.462 ' CB ' ' HD2' ' S' ' 84' ' ' LYS . 23.4 t70 -156.5 162.06 39.98 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.411 -0.359 . . . . 1.85 110.41 -178.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 86' ' ' ARG . . . . . 0.615 ' CD ' ' H ' ' S' ' 86' ' ' ARG . 0.0 OUTLIER -67.68 -29.52 68.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.015 -0.539 . . . . 3.96 111.671 -178.65 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' S' S ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.75 -38.66 87.06 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.251 0.548 . . . . 0.62 110.27 178.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 88' ' ' SER . . . . . . . . . . . . . 4.3 m -69.58 -40.33 76.78 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.677 -0.692 . . . . 0.88 110.311 175.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 89' ' ' ALA . . . . . 0.623 ' HA ' ' HG3' ' S' ' 83' ' ' MET . . . -60.31 -48.58 81.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.747 -0.66 . . . . 0.35 111.334 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 90' ' ' GLU . . . . . 0.571 ' O ' ' HG2' ' S' ' 94' ' ' LYS . 4.1 pt-20 -72.18 -21.73 61.39 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.628 -0.429 . . . . 1.85 111.028 -179.264 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 91' ' ' ARG . . . . . 0.403 ' HD3' ' O ' ' S' ' 58' ' ' PHE . 76.4 ttt180 -63.8 -37.88 89.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.102 0.477 . . . . 2.92 109.788 174.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 92' ' ' ALA . . . . . . . . . . . . . . . -77.2 -27.11 53.41 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.831 -0.622 . . . . 0.47 110.186 176.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 93' ' ' CYS . . . . . . . . . . . . . 17.8 t -83.78 -2.82 57.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.754 -0.657 . . . . 1.35 110.629 -179.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 94' ' ' LYS . . . . . 0.571 ' HG2' ' O ' ' S' ' 90' ' ' GLU . 37.7 mmtm -60.94 -31.1 70.66 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.204 -0.453 . . . . 2.95 110.809 175.442 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 95' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -115.46 95.02 41.85 Favored Pre-proline 0 C--N 1.329 -0.32 0 N-CA-C 109.33 -0.619 . . . . 2.13 109.33 175.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 96' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -65.27 -32.64 50.93 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.851 2.368 . . . . 0.76 113.45 -171.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 97' ' ' ASN . . . . . 0.426 ' HA ' ' O ' ' S' ' 105' ' ' ALA . 10.4 m120 -126.82 83.91 64.36 Favored Pre-proline 0 C--N 1.321 -0.635 0 CA-C-O 120.804 0.335 . . . . 1.08 111.276 -177.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 98' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -88.65 157.87 6.33 Favored 'Trans proline' 0 N--CA 1.452 -0.953 0 C-N-CA 122.656 2.237 . . . . 0.53 111.896 176.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 99' ' ' ILE . . . . . . . . . . . . . 49.8 mm -95.95 100.71 11.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-O 121.145 0.498 . . . . 0.51 110.18 179.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 100' ' ' ILE . . . . . . . . . . . . . 54.9 mt -108.76 119.74 58.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.677 -0.692 . . . . 0.57 109.813 -179.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 101' ' ' ASP . . . . . 0.441 ' OD2' ' HG2' ' S' ' 43' ' ' PRO . 39.1 t70 67.17 16.03 10.15 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 121.998 0.904 . . . . 1.4 110.23 177.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 102' ' ' GLY . . . . . . . . . . . . . . . 89.08 6.15 72.12 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.734 -0.746 . . . . 0.82 111.672 -177.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 103' ' ' ARG . . . . . . . . . . . . . 6.5 tpp180 -107.02 136.17 47.34 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.68 -0.489 . . . . 3.11 109.68 -179.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 104' ' ' LYS . . . . . . . . . . . . . 58.1 tttm -76.41 97.69 4.35 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.295 -0.632 . . . . 1.98 109.295 177.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 105' ' ' ALA . . . . . 0.426 ' O ' ' HA ' ' S' ' 97' ' ' ASN . . . -87.43 164.08 16.39 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.095 -0.502 . . . . 0.33 111.363 -173.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 106' ' ' ASN . . . . . . . . . . . . . 35.3 m-80 -121.07 110.64 16.48 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.952 -0.567 . . . . 1.99 109.754 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 107' ' ' VAL . . . . . . . . . . . . . 76.7 t -107.48 125.68 63.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.209 -0.45 . . . . 0.33 110.417 -178.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 108' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -169.52 148.12 3.7 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.179 -0.464 . . . . 1.76 109.978 -178.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 109' ' ' LEU . . . . . . . . . . . . . 95.4 mt -62.9 132.98 53.92 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.844 0.354 . . . . 0.57 110.955 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.59 -29.75 68.19 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.077 -0.51 . . . . 0.66 111.965 -176.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 111' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -77.1 -27.6 54.2 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.605 -0.27 . . . . 1.25 110.821 -178.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 112' ' ' LEU . . . . . . . . . . . . . 81.4 mt -69.06 -42.41 76.31 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.855 0.359 . . . . 1.54 110.732 179.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 113' ' ' GLY . . . . . . . . . . . . . . . 161.65 86.94 0.06 OUTLIER Glycine 0 N--CA 1.447 -0.568 0 C-N-CA 120.654 -0.784 . . . . 1.94 112.024 -179.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 114' ' ' ALA . . . . . . . . . . . . . . . -79.13 120.52 23.77 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.791 0.329 . . . . 1.62 110.427 178.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 115' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -111.36 99.43 43.9 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 115.934 -0.575 . . . . 5.27 109.861 179.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 116' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -74.98 -173.3 1.52 Allowed 'Trans proline' 0 CA--C 1.532 0.401 0 C-N-CA 122.969 2.446 . . . . 2.96 112.656 -178.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 117' ' ' ARG . . . . . 0.441 ' C ' ' H ' ' S' ' 119' ' ' ASN . 7.3 ptm180 -54.76 152.88 6.61 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.749 -0.66 . . . . 4.5 111.441 177.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 118' ' ' THR . . . . . . . . . . . . . 11.3 t -75.28 33.1 0.1 Allowed 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 121.702 0.763 . . . . 6.3 111.544 -177.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 119' ' ' ASN . . . . . 0.441 ' H ' ' C ' ' S' ' 117' ' ' ARG . 4.1 t-20 -164.69 81.98 0.38 Allowed 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.678 -0.692 . . . . 6.91 109.432 179.523 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 120' ' ' VAL . . . . . . . . . . . . . 48.0 t -99.64 -34.82 4.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.799 -0.637 . . . . 8.89 109.49 176.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 121' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.078 0 CA-C-N 115.093 -0.958 . . . . 11.5 109.321 178.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.774 0 N-CA-C 112.02 -0.432 . . . . 11.03 112.02 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' S' S ' 26' ' ' ALA . . . . . . . . . . . . . . . 63.17 17.4 10.15 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 123.077 0.551 . . . . 9.46 112.262 178.392 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 27' ' ' MET . . . . . . . . . . . . . 27.0 ptm -97.1 -14.85 21.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.065 0.46 . . . . 9.91 110.551 -179.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 28' ' ' GLY . . . . . . . . . . . . . . . -169.31 76.14 0.11 Allowed Glycine 0 N--CA 1.448 -0.56 0 CA-C-N 115.635 -0.712 . . . . 5.77 111.751 -179.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 29' ' ' SER . . . . . . . . . . . . . 30.1 m -150.24 -56.98 0.18 Allowed 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.201 -0.666 . . . . 4.45 109.201 178.012 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 30' ' ' ARG . . . . . . . . . . . . . 62.6 mtm180 -126.14 155.09 42.24 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.348 -0.842 . . . . 7.03 109.035 173.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 31' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -81.67 94.36 6.94 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 109.618 -0.512 . . . . 3.39 109.618 174.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 32' ' ' THR . . . . . 0.589 HG22 HG21 ' S' ' 82' ' ' THR . 24.3 p -126.19 15.7 7.83 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.909 -0.587 . . . . 1.26 111.295 -177.408 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 15.4 tpt -75.27 -56.52 4.63 Favored 'General case' 0 C--N 1.325 -0.471 0 C-N-CA 120.655 -0.418 . . . . 1.39 111.223 -176.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 34' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -109.04 16.76 22.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.956 0.408 . . . . 0.97 110.868 -177.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 35' ' ' THR . . . . . 0.516 ' O ' ' HA ' ' S' ' 82' ' ' THR . 14.8 p -117.28 -3.95 11.42 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.14 -0.482 . . . . 0.55 110.72 -177.008 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 36' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -94.92 104.18 16.06 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.73 -0.668 . . . . 1.95 110.917 -174.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 37' ' ' ILE . . . . . 0.478 ' CG2' HG13 ' S' ' 107' ' ' VAL . 70.9 mt -93.42 136.82 24.11 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 115.232 -0.895 . . . . 0.41 110.885 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 38' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -101.12 122.86 44.35 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.047 -0.524 . . . . 0.45 109.601 175.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 39' ' ' VAL . . . . . 0.461 HG21 HD11 ' S' ' 51' ' ' LEU . 22.0 t -119.21 105.93 18.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 110.115 -0.328 . . . . 0.2 110.115 178.21 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 40' ' ' GLY . . . . . . . . . . . . . . . -104.57 152.88 17.52 Favored Glycine 0 N--CA 1.452 -0.234 0 C-N-CA 120.607 -0.806 . . . . 0.27 112.592 -178.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 41' ' ' GLY . . . . . . . . . . . . . . . 99.6 33.12 5.45 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.949 -0.643 . . . . 0.49 112.338 178.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 42' ' ' LEU . . . . . 0.597 ' O ' ' HA2' ' S' ' 77' ' ' GLY . 83.0 mt -103.66 133.79 20.09 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-O 120.995 0.426 . . . . 0.6 111.561 -176.16 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 43' ' ' PRO . . . . . 0.694 ' HG3' ' HG3' ' S' ' 103' ' ' ARG . 22.7 Cg_exo -65.12 173.81 5.62 Favored 'Trans proline' 0 CA--C 1.532 0.388 0 C-N-CA 123.022 2.481 . . . . 0.55 112.671 176.647 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 44' ' ' TYR . . . . . 0.446 ' HA ' ' HB2' ' S' ' 75' ' ' SER . 7.1 m-85 -78.6 -8.51 58.69 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.129 -0.487 . . . . 2.41 111.756 -172.539 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 45' ' ' HIS . . . . . . . . . . . . . 27.0 p80 -101.73 -4.97 25.54 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.898 -0.321 . . . . 2.31 110.717 -178.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 46' ' ' THR . . . . . 0.501 ' OG1' ' HD2' ' S' ' 43' ' ' PRO . 89.0 m -73.07 113.17 9.81 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-O 121.064 0.459 . . . . 0.53 109.865 179.516 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 47' ' ' SER . . . . . . . . . . . . . 14.0 m -104.43 -175.52 2.82 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.518 -0.764 . . . . 0.68 110.806 -174.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 48' ' ' ASP . . . . . . . . . . . . . 17.7 p-10 -63.66 -38.41 91.01 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.674 -0.694 . . . . 1.29 110.627 -179.039 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 49' ' ' LYS . . . . . 0.41 ' HG3' ' N ' ' S' ' 50' ' ' THR . 11.1 ptmt -64.33 -34.32 77.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 2.5 111.335 177.532 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 50' ' ' THR . . . . . 0.41 ' N ' ' HG3' ' S' ' 49' ' ' LYS . 1.0 OUTLIER -68.13 -54.32 18.86 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.016 0.436 . . . . 0.43 110.55 -175.923 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' S' S ' 51' ' ' LEU . . . . . 0.461 HD11 HG21 ' S' ' 39' ' ' VAL . 16.8 tp -59.98 -40.0 87.64 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.728 -0.669 . . . . 0.46 110.457 177.47 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 52' ' ' HIS . . . . . . . . . . . . . 49.3 t-80 -60.0 -52.76 64.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.6 -0.727 . . . . 0.55 111.058 179.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 53' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -57.03 -44.15 82.59 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.123 -0.49 . . . . 2.24 111.986 -175.323 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 54' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -68.51 -37.77 80.34 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.879 -0.329 . . . . 0.55 111.32 -176.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 55' ' ' PHE . . . . . 0.437 ' HA ' ' HD2' ' S' ' 58' ' ' PHE . 24.1 m-85 -83.62 -19.56 35.24 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.047 0.388 . . . . 0.5 112.047 -177.729 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 56' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -56.68 -24.32 48.11 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.228 0.537 . . . . 1.47 110.794 178.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 57' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -63.61 -24.72 67.91 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.599 0.714 . . . . 2.98 111.171 178.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 58' ' ' PHE . . . . . 0.461 ' O ' ' HD3' ' S' ' 91' ' ' ARG . 29.7 m-85 -105.31 0.6 27.21 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-N 115.02 -0.991 . . . . 0.65 111.679 -171.674 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 59' ' ' GLY . . . . . . . . . . . . . . . 140.83 -178.17 20.3 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.129 -1.034 . . . . 0.44 113.167 174.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 60' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -70.77 146.47 49.76 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 122.777 0.431 . . . . 1.99 110.908 179.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 61' ' ' ILE . . . . . 0.475 ' HA ' ' HA ' ' S' ' 83' ' ' MET . 74.4 mt -122.24 134.88 64.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.146 -0.479 . . . . 0.43 111.18 -175.582 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 62' ' ' GLU . . . . . . . . . . . . . 47.6 mm-40 -78.07 -57.11 3.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.098 0.475 . . . . 1.91 110.564 176.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 63' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -152.57 116.66 4.89 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.955 -0.566 . . . . 1.81 110.331 -174.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 64' ' ' ALA . . . . . . . . . . . . . . . -124.65 104.05 8.47 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.445 -0.343 . . . . 0.38 110.426 178.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 65' ' ' VAL . . . . . . . . . . . . . 34.9 m -125.24 136.11 61.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-O 121.243 0.544 . . . . 0.36 111.283 -178.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 66' ' ' VAL . . . . . . . . . . . . . 59.7 t -89.58 118.57 35.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 N-CA-C 108.467 -0.938 . . . . 0.3 108.467 172.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 67' ' ' ILE . . . . . . . . . . . . . 49.2 mm -68.59 122.89 20.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.15 0.5 . . . . 0.47 110.974 -172.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 68' ' ' THR . . . . . . . . . . . . . 14.8 p -106.13 157.27 17.68 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.628 -0.715 . . . . 0.78 111.048 -178.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 69' ' ' ASP . . . . . 0.401 ' O ' ' HA ' ' S' ' 73' ' ' GLN . 23.7 t70 -79.71 148.61 31.48 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.827 -0.624 . . . . 1.75 109.353 175.514 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 70' ' ' ARG . . . . . . . . . . . . . 49.2 mtp180 -76.69 -33.46 58.24 Favored 'General case' 0 C--N 1.322 -0.63 0 C-N-CA 120.776 -0.37 . . . . 4.02 111.47 -175.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 71' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -79.14 -48.92 13.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.255 0.55 . . . . 2.64 110.545 -175.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 72' ' ' THR . . . . . . . . . . . . . 34.6 p -91.56 -25.99 18.96 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.786 -0.643 . . . . 1.84 112.114 -175.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 73' ' ' GLN . . . . . 0.401 ' HA ' ' O ' ' S' ' 69' ' ' ASP . 14.4 mm-40 64.3 21.18 12.44 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 116.051 -0.522 . . . . 2.35 111.289 -176.705 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 74' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -101.67 153.92 19.34 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.036 -0.529 . . . . 2.77 110.031 174.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 75' ' ' SER . . . . . 0.446 ' HB2' ' HA ' ' S' ' 44' ' ' TYR . 10.5 m -59.19 137.48 57.95 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.028 -0.533 . . . . 1.51 110.886 -179.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 76' ' ' ARG . . . . . . . . . . . . . 63.6 mtp180 -81.21 7.45 11.24 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.382 -0.372 . . . . 2.54 111.0 -179.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 77' ' ' GLY . . . . . 0.597 ' HA2' ' O ' ' S' ' 42' ' ' LEU . . . 99.36 16.49 29.5 Favored Glycine 0 N--CA 1.451 -0.358 0 CA-C-N 115.995 -0.548 . . . . 0.53 113.352 174.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 78' ' ' TYR . . . . . . . . . . . . . 40.6 p90 -164.34 162.18 22.16 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.686 0.279 . . . . 0.6 110.7 -179.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 79' ' ' GLY . . . . . . . . . . . . . . . -143.61 164.78 27.33 Favored Glycine 0 N--CA 1.445 -0.706 0 N-CA-C 111.064 -0.814 . . . . 0.17 111.064 176.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 80' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -119.91 135.82 54.75 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.836 0.35 . . . . 0.39 110.994 -179.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 81' ' ' VAL . . . . . 0.458 ' HB ' ' HB ' ' S' ' 37' ' ' ILE . 19.1 t -118.2 111.58 34.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.047 -0.524 . . . . 0.24 110.459 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 82' ' ' THR . . . . . 0.589 HG21 HG22 ' S' ' 32' ' ' THR . 31.1 m -97.65 103.37 15.3 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 108.36 -0.978 . . . . 0.3 108.36 172.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 83' ' ' MET . . . . . 0.566 ' SD ' ' HA ' ' S' ' 89' ' ' ALA . 57.1 mtp -86.78 168.57 13.37 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 120.925 -0.31 . . . . 0.72 110.572 -175.74 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 84' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -53.8 -53.04 57.93 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 123.857 0.723 . . . . 2.21 111.993 -178.052 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 85' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -136.3 161.89 34.52 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.27 -0.423 . . . . 1.85 110.064 -177.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 86' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -60.97 -32.95 72.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.455 -0.339 . . . . 3.96 110.822 178.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 87' ' ' ALA . . . . . . . . . . . . . . . -64.25 -40.49 96.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.925 0.393 . . . . 0.62 110.289 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 88' ' ' SER . . . . . . . . . . . . . 2.3 m -64.95 -50.19 67.38 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.38 -0.6 . . . . 0.88 109.38 175.321 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 89' ' ' ALA . . . . . 0.566 ' HA ' ' SD ' ' S' ' 83' ' ' MET . . . -51.74 -50.28 60.91 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 114.993 -1.003 . . . . 0.35 112.342 177.674 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 90' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -69.01 -29.85 68.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.957 0.408 . . . . 1.85 110.955 -178.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 91' ' ' ARG . . . . . 0.461 ' HD3' ' O ' ' S' ' 58' ' ' PHE . 63.2 ttt180 -61.45 -26.83 68.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.97 -0.559 . . . . 2.92 109.791 174.405 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 92' ' ' ALA . . . . . . . . . . . . . . . -86.41 -32.32 20.96 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.865 -0.607 . . . . 0.47 110.497 174.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 93' ' ' CYS . . . . . . . . . . . . . 47.0 t -74.15 -4.68 37.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.697 -0.683 . . . . 1.35 111.57 -178.039 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 94' ' ' LYS . . . . . . . . . . . . . 27.5 mmtp -56.77 -40.95 76.77 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.59 -0.277 . . . . 2.95 111.085 174.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 95' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -103.73 100.58 20.2 Favored Pre-proline 0 C--N 1.328 -0.348 0 N-CA-C 109.899 -0.408 . . . . 2.13 109.899 176.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 96' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -68.99 -27.74 29.8 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.92 2.413 . . . . 0.76 113.129 -175.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 97' ' ' ASN . . . . . . . . . . . . . 21.6 m120 -129.17 92.32 39.52 Favored Pre-proline 0 C--N 1.325 -0.487 0 CA-C-O 120.98 0.419 . . . . 1.08 111.35 179.017 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 98' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -84.72 149.75 11.24 Favored 'Trans proline' 0 N--CA 1.452 -0.932 0 C-N-CA 123.101 2.534 . . . . 0.53 112.058 175.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 99' ' ' ILE . . . . . . . . . . . . . 49.5 mm -95.61 91.78 3.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 121.184 0.516 . . . . 0.51 109.769 177.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 100' ' ' ILE . . . . . . . . . . . . . 60.5 mt -101.67 118.67 48.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.92 -0.582 . . . . 0.57 110.159 -178.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 101' ' ' ASP . . . . . . . . . . . . . 37.6 t70 66.43 16.68 10.49 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 121.857 0.837 . . . . 1.4 110.39 -179.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 102' ' ' GLY . . . . . . . . . . . . . . . 86.75 -2.3 87.2 Favored Glycine 0 N--CA 1.45 -0.394 0 CA-C-N 115.729 -0.669 . . . . 0.82 111.62 -177.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 103' ' ' ARG . . . . . 0.694 ' HG3' ' HG3' ' S' ' 43' ' ' PRO . 18.9 mmt180 -93.6 139.09 31.17 Favored 'General case' 0 N--CA 1.444 -0.747 0 N-CA-C 109.511 -0.551 . . . . 3.11 109.511 -179.643 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 104' ' ' LYS . . . . . . . . . . . . . 81.6 tttt -78.8 99.7 6.81 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.164 0.506 . . . . 1.98 110.07 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 105' ' ' ALA . . . . . . . . . . . . . . . -88.73 166.62 13.93 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.419 -0.81 . . . . 0.33 110.285 -178.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 106' ' ' ASN . . . . . . . . . . . . . 25.9 t-20 -133.49 123.7 25.7 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.176 -0.466 . . . . 1.99 109.791 177.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 107' ' ' VAL . . . . . 0.478 HG13 ' CG2' ' S' ' 37' ' ' ILE . 79.0 t -109.34 127.21 66.26 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.264 -0.88 . . . . 0.33 110.208 -179.275 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 108' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -149.68 173.58 13.52 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.034 -0.728 . . . . 1.76 109.034 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 109' ' ' LEU . . . . . 0.453 HD13 ' HE2' ' S' ' 111' ' ' TYR . 97.8 mt -93.36 124.03 37.07 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.861 -0.422 . . . . 0.57 109.861 178.598 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.99 -30.34 70.88 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.906 0.706 . . . . 0.66 112.906 -169.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 111' ' ' TYR . . . . . 0.453 ' HE2' HD13 ' S' ' 109' ' ' LEU . 15.9 p90 -68.88 -13.56 62.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.619 0.247 . . . . 1.25 111.37 -175.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 112' ' ' LEU . . . . . . . . . . . . . 96.6 mt -81.19 -12.07 59.27 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.543 -0.298 . . . . 1.54 110.853 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 113' ' ' GLY . . . . . . . . . . . . . . . 115.23 77.97 0.74 Allowed Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.749 -0.739 . . . . 1.94 112.09 -178.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 114' ' ' ALA . . . . . . . . . . . . . . . -83.01 122.49 28.37 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 120.868 0.366 . . . . 1.62 110.889 -179.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 115' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -95.75 114.53 64.21 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 116.247 -0.433 . . . . 5.27 110.112 177.36 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 116' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -73.64 178.38 6.82 Favored 'Trans proline' 0 N--CA 1.46 -0.443 0 C-N-CA 122.68 2.253 . . . . 2.96 112.34 177.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 117' ' ' ARG . . . . . . . . . . . . . 37.5 ttt180 -64.37 -47.54 78.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.05 -0.523 . . . . 4.5 111.04 -178.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 118' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -106.64 96.84 6.74 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.894 0.378 . . . . 6.3 110.962 -177.469 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 119' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -118.84 96.26 5.18 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.224 -0.658 . . . . 6.91 109.224 177.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 120' ' ' VAL . . . . . . . . . . . . . 11.7 t -130.03 55.87 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.836 -0.62 . . . . 8.89 110.187 -176.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 121' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 . . . . . 0 C--O 1.25 1.13 0 CA-C-O 118.352 -0.833 . . . . 11.5 109.188 178.788 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' S' S ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 2.042 0 CA-C-O 120.158 -0.246 . . . . 11.03 112.858 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' S' S ' 26' ' ' ALA . . . . . . . . . . . . . . . 57.82 -97.77 0.08 Allowed 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 123.132 0.573 . . . . 9.46 111.99 179.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 27' ' ' MET . . . . . . . . . . . . . 72.2 mtm -127.32 64.89 1.32 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.404 0.621 . . . . 9.91 109.824 177.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 28' ' ' GLY . . . . . . . . . . . . . . . -163.89 147.18 12.46 Favored Glycine 0 N--CA 1.442 -0.9 0 N-CA-C 110.529 -1.028 . . . . 5.77 110.529 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 29' ' ' SER . . . . . . . . . . . . . 24.0 m -61.59 -71.13 0.16 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.739 0.27 . . . . 4.45 111.291 -176.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 30' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' S' ' 30' ' ' ARG . 14.4 ptt180 -127.01 132.15 50.83 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.651 -0.42 . . . . 7.03 111.638 -179.265 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 31' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -105.0 118.03 35.49 Favored 'General case' 0 CA--C 1.51 -0.573 0 N-CA-C 108.979 -0.749 . . . . 3.39 108.979 164.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 32' ' ' THR . . . . . 0.495 HG22 ' HD2' ' S' ' 36' ' ' LYS . 0.2 OUTLIER -118.54 12.25 13.14 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 109.306 -0.627 . . . . 1.26 109.306 178.239 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 87.8 mtp -83.9 -56.63 3.58 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.591 -0.731 . . . . 1.39 110.932 -177.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 34' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -97.16 4.69 51.06 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.148 -0.478 . . . . 0.97 111.624 -171.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 35' ' ' THR . . . . . . . . . . . . . 20.8 p -114.06 -18.09 11.78 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.444 -0.344 . . . . 0.55 111.584 -178.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 36' ' ' LYS . . . . . 0.495 ' HD2' HG22 ' S' ' 32' ' ' THR . 34.2 tttp -97.42 110.71 23.21 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.168 0.509 . . . . 1.95 110.709 -175.456 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 37' ' ' ILE . . . . . 0.476 ' CG2' HG13 ' S' ' 107' ' ' VAL . 74.1 mt -98.06 136.04 30.42 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.335 -0.848 . . . . 0.41 110.901 -178.197 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 38' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -100.39 128.35 46.48 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.936 -0.574 . . . . 0.45 109.461 175.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 39' ' ' VAL . . . . . . . . . . . . . 31.9 t -119.41 104.03 15.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.498 -0.319 . . . . 0.2 110.291 179.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 40' ' ' GLY . . . . . . . . . . . . . . . -105.07 152.53 17.3 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 120.666 -0.778 . . . . 0.27 112.179 -179.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 41' ' ' GLY . . . . . . . . . . . . . . . 99.62 40.71 3.1 Favored Glycine 0 C--O 1.23 -0.134 0 C-N-CA 120.918 -0.658 . . . . 0.49 112.207 178.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 42' ' ' LEU . . . . . 0.467 ' O ' ' HA2' ' S' ' 77' ' ' GLY . 92.4 mt -113.3 135.36 21.81 Favored Pre-proline 0 C--N 1.324 -0.508 0 CA-C-O 120.629 0.252 . . . . 0.6 110.471 -178.059 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 43' ' ' PRO . . . . . 0.617 ' HD2' ' OG1' ' S' ' 46' ' ' THR . 16.7 Cg_exo -66.44 170.63 11.89 Favored 'Trans proline' 0 N--CA 1.462 -0.333 0 C-N-CA 122.652 2.235 . . . . 0.55 112.213 175.345 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 44' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -71.36 -16.05 62.41 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.841 -0.618 . . . . 2.41 110.348 -178.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 45' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -82.73 -17.16 45.3 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.339 -0.846 . . . . 2.31 110.415 -177.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 46' ' ' THR . . . . . 0.617 ' OG1' ' HD2' ' S' ' 43' ' ' PRO . 59.2 m -79.27 112.34 16.41 Favored 'General case' 0 N--CA 1.44 -0.968 0 CA-C-N 115.895 -0.593 . . . . 0.53 109.474 -175.274 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 47' ' ' SER . . . . . 0.501 ' HB2' ' HG2' ' S' ' 49' ' ' LYS . 15.5 m -95.27 173.45 7.53 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.845 -0.616 . . . . 0.68 110.051 -178.184 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 48' ' ' ASP . . . . . 0.598 ' HB2' ' O ' ' S' ' 64' ' ' ALA . 7.3 p-10 -61.63 -35.28 77.46 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 116.05 -0.523 . . . . 1.29 110.517 178.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 49' ' ' LYS . . . . . 0.501 ' HG2' ' HB2' ' S' ' 47' ' ' SER . 61.9 pttt -60.32 -37.4 80.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.951 -0.568 . . . . 2.5 110.888 175.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 50' ' ' THR . . . . . . . . . . . . . 1.3 m -68.7 -45.34 71.88 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-O 121.187 0.518 . . . . 0.43 110.176 -177.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 51' ' ' LEU . . . . . . . . . . . . . 17.0 tp -60.1 -45.72 92.01 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.612 -0.722 . . . . 0.46 110.403 176.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 52' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -60.21 -47.89 84.05 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.922 -0.581 . . . . 0.55 110.687 178.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 53' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -50.56 -45.0 56.83 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.703 -0.681 . . . . 2.24 111.452 -178.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 54' ' ' TYR . . . . . 0.482 ' OH ' ' HB3' ' S' ' 98' ' ' PRO . 87.2 t80 -73.02 -37.4 66.94 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.067 -0.515 . . . . 0.55 111.986 -176.349 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 55' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -85.75 -20.5 29.18 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 113.873 1.064 . . . . 0.5 113.873 -172.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 56' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -58.8 -20.45 50.15 Favored 'General case' 0 N--CA 1.47 0.544 0 CA-C-O 121.167 0.508 . . . . 1.47 111.453 -179.029 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 57' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -64.3 -29.07 70.16 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.374 0.607 . . . . 2.98 111.194 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 58' ' ' PHE . . . . . 0.417 ' O ' ' HD3' ' S' ' 91' ' ' ARG . 31.6 m-85 -98.48 -11.11 22.64 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.249 -0.887 . . . . 0.65 111.753 -170.536 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 59' ' ' GLY . . . . . . . . . . . . . . . 159.61 -165.21 34.43 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.284 -0.96 . . . . 0.44 112.524 178.276 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 60' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -88.27 142.17 27.96 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.893 -0.41 . . . . 1.99 109.893 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 61' ' ' ILE . . . . . . . . . . . . . 57.1 mt -118.76 134.28 62.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.017 -0.538 . . . . 0.43 110.542 -175.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 62' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -98.25 -36.32 10.06 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.128 0.489 . . . . 1.91 110.614 176.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 63' ' ' GLU . . . . . 0.472 ' HB3' ' HB ' ' S' ' 82' ' ' THR . 30.5 tt0 -136.51 131.68 34.26 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.028 -0.533 . . . . 1.81 110.444 -177.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 64' ' ' ALA . . . . . 0.598 ' O ' ' HB2' ' S' ' 48' ' ' ASP . . . -153.48 100.7 2.44 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.898 -0.408 . . . . 0.38 109.898 176.049 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 65' ' ' VAL . . . . . 0.484 ' HA ' ' HB3' ' S' ' 48' ' ' ASP . 29.4 m -136.97 142.93 36.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 111.766 0.284 . . . . 0.36 111.766 -177.063 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 66' ' ' VAL . . . . . . . . . . . . . 98.0 t -94.98 117.39 38.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 108.646 -0.872 . . . . 0.3 108.646 171.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 67' ' ' ILE . . . . . . . . . . . . . 48.4 mm -69.56 132.14 33.39 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 CA-C-O 121.488 0.661 . . . . 0.47 112.036 -169.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 68' ' ' THR . . . . . . . . . . . . . 21.0 p -106.4 151.46 24.87 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 114.851 -1.068 . . . . 0.78 110.179 179.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 69' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -70.31 138.43 51.49 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.374 -0.376 . . . . 1.75 110.026 177.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 70' ' ' ARG . . . . . . . . . . . . . 68.3 mtp180 -74.3 -18.23 60.74 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 111.769 0.285 . . . . 4.02 111.769 -173.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 71' ' ' ASN . . . . . . . . . . . . . 40.7 t-20 -95.19 -56.04 2.86 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.013 0.435 . . . . 2.64 110.677 -178.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 72' ' ' THR . . . . . . . . . . . . . 39.7 p -85.82 -23.63 27.08 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 112.525 0.565 . . . . 1.84 112.525 -174.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 73' ' ' GLN . . . . . . . . . . . . . 21.0 mm-40 69.71 25.3 5.18 Favored 'General case' 0 N--CA 1.47 0.525 0 N-CA-C 112.204 0.446 . . . . 2.35 112.204 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 74' ' ' LYS . . . . . . . . . . . . . 56.0 mttp -106.77 155.15 20.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.289 -0.414 . . . . 2.77 109.885 172.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 75' ' ' SER . . . . . . . . . . . . . 7.3 m -63.87 138.01 58.29 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.455 -0.339 . . . . 1.51 111.207 -177.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 76' ' ' ARG . . . . . . . . . . . . . 51.4 mtt180 -83.43 -15.96 47.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.342 -0.39 . . . . 2.54 111.935 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 77' ' ' GLY . . . . . 0.467 ' HA2' ' O ' ' S' ' 42' ' ' LEU . . . 107.44 29.43 4.48 Favored Glycine 0 CA--C 1.518 0.24 0 C-N-CA 120.302 -0.951 . . . . 0.53 113.797 174.319 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 78' ' ' TYR . . . . . . . . . . . . . 50.9 p90 -164.21 164.03 22.69 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.934 -0.395 . . . . 0.6 109.934 178.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 79' ' ' GLY . . . . . . . . . . . . . . . -140.89 162.85 26.68 Favored Glycine 0 N--CA 1.446 -0.688 0 C-N-CA 121.034 -0.603 . . . . 0.17 112.167 179.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 80' ' ' PHE . . . . . 0.424 ' O ' ' HA ' ' S' ' 64' ' ' ALA . 37.3 m-85 -117.24 137.66 52.24 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.656 0.265 . . . . 0.39 110.665 177.43 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 81' ' ' VAL . . . . . 0.441 ' HA ' ' O ' ' S' ' 63' ' ' GLU . 21.9 t -128.09 115.3 38.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.158 -0.474 . . . . 0.24 110.357 177.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 82' ' ' THR . . . . . 0.472 ' HB ' ' HB3' ' S' ' 63' ' ' GLU . 40.1 m -100.29 114.32 27.71 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 108.98 -0.748 . . . . 0.3 108.98 176.164 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 83' ' ' MET . . . . . 0.665 ' HG3' ' HA ' ' S' ' 89' ' ' ALA . 96.2 mmm -84.54 163.01 19.63 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.797 -0.638 . . . . 0.72 111.584 -172.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 84' ' ' LYS . . . . . . . . . . . . . 66.3 tttt -57.23 -43.91 83.31 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.7 -1.136 . . . . 2.21 111.895 177.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 85' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -153.92 -176.21 5.74 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.457 -0.571 . . . . 1.85 109.457 -177.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 86' ' ' ARG . . . . . 0.505 ' O ' ' HG3' ' S' ' 90' ' ' GLU . 22.4 ttp180 -76.93 -33.32 57.73 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.561 -0.456 . . . . 3.96 111.133 -175.11 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 87' ' ' ALA . . . . . . . . . . . . . . . -65.05 -44.91 87.48 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.763 0.316 . . . . 0.62 110.361 -177.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 88' ' ' SER . . . . . . . . . . . . . 8.3 p -67.08 -38.17 85.25 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.373 -0.376 . . . . 0.88 110.189 177.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 89' ' ' ALA . . . . . 0.665 ' HA ' ' HG3' ' S' ' 83' ' ' MET . . . -59.77 -48.3 82.21 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.818 -0.628 . . . . 0.35 111.447 175.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 90' ' ' GLU . . . . . 0.505 ' HG3' ' O ' ' S' ' 86' ' ' ARG . 78.1 mt-10 -64.41 -32.74 74.49 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 120.831 0.348 . . . . 1.85 111.211 -179.62 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 91' ' ' ARG . . . . . 0.417 ' HD3' ' O ' ' S' ' 58' ' ' PHE . 57.3 ttt180 -69.07 -29.29 67.38 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.179 -0.464 . . . . 2.92 110.272 179.035 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 92' ' ' ALA . . . . . . . . . . . . . . . -84.16 -42.7 15.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.47 110.487 176.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 93' ' ' CYS . . . . . . . . . . . . . 13.0 t -80.54 3.72 20.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.05 -0.523 . . . . 1.35 110.338 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 94' ' ' LYS . . . . . . . . . . . . . 15.9 tptp -56.44 -37.9 70.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.356 -0.838 . . . . 2.95 110.452 176.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 95' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -120.69 102.13 45.04 Favored Pre-proline 0 C--N 1.319 -0.742 0 CA-C-N 115.977 -0.556 . . . . 2.13 109.798 174.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 96' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -70.8 -6.56 19.39 Favored 'Trans proline' 0 C--N 1.343 0.255 0 C-N-CA 122.875 2.383 . . . . 0.76 112.667 -176.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 97' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -127.07 77.17 75.6 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 120.939 0.4 . . . . 1.08 111.029 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 98' ' ' PRO . . . . . 0.482 ' HB3' ' OH ' ' S' ' 54' ' ' TYR . 4.5 Cg_exo -81.88 163.41 18.3 Favored 'Trans proline' 0 N--CA 1.456 -0.696 0 C-N-CA 123.214 2.609 . . . . 0.53 111.279 175.316 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 99' ' ' ILE . . . . . . . . . . . . . 48.8 mm -110.16 103.05 14.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-O 121.056 0.455 . . . . 0.51 109.857 179.086 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 100' ' ' ILE . . . . . . . . . . . . . 62.2 mt -118.96 129.97 74.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 109.215 -0.661 . . . . 0.57 109.215 -178.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 101' ' ' ASP . . . . . . . . . . . . . 29.5 t70 66.15 14.62 9.73 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 122.0 0.905 . . . . 1.4 109.957 -177.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 102' ' ' GLY . . . . . . . . . . . . . . . 83.27 1.05 90.42 Favored Glycine 0 N--CA 1.449 -0.468 0 CA-C-N 115.544 -0.753 . . . . 0.82 111.627 -175.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 103' ' ' ARG . . . . . 0.517 ' NE ' ' HG3' ' S' ' 43' ' ' PRO . 55.6 mtt180 -99.64 157.23 16.61 Favored 'General case' 0 N--CA 1.446 -0.654 0 N-CA-C 110.226 -0.287 . . . . 3.11 110.226 -179.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 104' ' ' LYS . . . . . . . . . . . . . 52.9 tttm -87.72 109.59 19.82 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.116 0.484 . . . . 1.98 110.342 177.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 105' ' ' ALA . . . . . . . . . . . . . . . -89.77 165.46 14.15 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.785 -0.643 . . . . 0.33 111.008 -177.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 106' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -124.0 110.22 14.51 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.15 -0.477 . . . . 1.99 109.933 179.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 107' ' ' VAL . . . . . 0.476 HG13 ' CG2' ' S' ' 37' ' ' ILE . 54.4 t -110.9 126.99 68.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.848 -0.615 . . . . 0.33 110.57 -178.169 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 108' ' ' ASN . . . . . 0.68 HD21 HD12 ' S' ' 112' ' ' LEU . 9.6 t30 -160.69 146.28 14.71 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.989 -0.551 . . . . 1.76 110.455 -177.089 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 109' ' ' LEU . . . . . 0.426 HD23 HG12 ' S' ' 37' ' ' ILE . 97.7 mt -63.79 128.51 36.13 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-O 121.154 0.502 . . . . 0.57 110.953 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.31 -20.06 63.88 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.971 0.73 . . . . 0.66 112.971 -169.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 111' ' ' TYR . . . . . . . . . . . . . 15.0 p90 -60.75 -24.83 66.04 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 120.587 0.232 . . . . 1.25 111.619 -174.1 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 112' ' ' LEU . . . . . 0.68 HD12 HD21 ' S' ' 108' ' ' ASN . 84.1 mt -62.97 -28.66 70.24 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.393 -0.367 . . . . 1.54 111.122 -179.234 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 113' ' ' GLY . . . . . . . . . . . . . . . 131.53 52.6 0.09 OUTLIER Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.813 -0.708 . . . . 1.94 111.918 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 114' ' ' ALA . . . . . . . . . . . . . . . -82.41 97.42 8.36 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.741 0.305 . . . . 1.62 111.521 -176.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 115' ' ' LYS . . . . . . . . . . . . . 16.2 pttm -108.36 143.05 26.66 Favored Pre-proline 0 C--N 1.326 -0.441 0 N-CA-C 109.743 -0.466 . . . . 5.27 109.743 173.08 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 116' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -78.89 -172.5 1.55 Allowed 'Trans proline' 0 N--CA 1.458 -0.56 0 C-N-CA 122.576 2.184 . . . . 2.96 112.714 -178.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 117' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -59.58 142.51 52.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.735 -0.666 . . . . 4.5 111.084 178.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 118' ' ' THR . . . . . . . . . . . . . 40.1 p -106.95 -29.8 9.24 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-O 121.214 0.531 . . . . 6.3 110.057 177.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 119' ' ' ASN . . . . . . . . . . . . . 5.6 t30 67.97 85.18 0.14 Allowed 'General case' 0 C--O 1.233 0.19 0 CA-C-N 114.537 -1.21 . . . . 6.91 110.354 -179.016 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 120' ' ' VAL . . . . . . . . . . . . . 51.9 t 69.08 88.57 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 CA-C-N 115.149 -0.932 . . . . 8.89 111.094 -178.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 121' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.251 1.167 0 CA-C-N 115.01 -0.996 . . . . 11.5 110.485 178.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.652 0 N-CA-C 111.747 -0.541 . . . . 11.03 111.747 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' S' S ' 26' ' ' ALA . . . . . . . . . . . . . . . -114.74 137.63 51.69 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 120.714 0.292 . . . . 9.46 111.26 -177.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 27' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -134.5 140.15 45.97 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.173 -0.677 . . . . 9.91 109.173 175.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 28' ' ' GLY . . . . . . . . . . . . . . . 73.3 44.51 34.3 Favored Glycine 0 N--CA 1.45 -0.377 0 N-CA-C 110.607 -0.997 . . . . 5.77 110.607 -176.018 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 29' ' ' SER . . . . . . . . . . . . . 11.0 p -85.79 177.9 7.5 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.479 0.657 . . . . 4.45 112.044 -174.002 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 30' ' ' ARG . . . . . . . . . . . . . 30.3 ptt180 -63.47 119.44 9.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.167 -0.924 . . . . 7.03 110.599 176.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 31' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -87.24 116.95 25.67 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.423 0.63 . . . . 3.39 111.482 179.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 32' ' ' THR . . . . . 0.475 ' HA ' ' OG1' ' S' ' 35' ' ' THR . 1.0 OUTLIER -127.74 13.78 6.92 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.072 -0.967 . . . . 1.26 108.983 170.56 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' S' S ' 33' ' ' MET . . . . . 0.589 ' HB3' ' HB3' ' S' ' 111' ' ' TYR . 58.3 mtm -84.63 -44.36 13.54 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.084 -0.962 . . . . 1.39 110.036 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 34' ' ' PHE . . . . . 0.437 ' HB3' ' NH1' ' S' ' 86' ' ' ARG . 82.2 m-85 -94.76 -1.7 52.42 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.459 -0.791 . . . . 0.97 111.46 -176.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 35' ' ' THR . . . . . 0.475 ' OG1' ' HA ' ' S' ' 32' ' ' THR . 7.3 p -114.54 -11.92 12.35 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.079 0.399 . . . . 0.55 112.079 -176.645 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 36' ' ' LYS . . . . . . . . . . . . . 27.7 tttp -105.69 114.82 29.2 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.288 0.566 . . . . 1.95 110.495 -178.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 37' ' ' ILE . . . . . . . . . . . . . 69.2 mt -94.96 135.39 29.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 115.228 -0.896 . . . . 0.41 110.986 -178.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 38' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -98.9 120.71 39.79 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.965 -0.754 . . . . 0.45 108.965 175.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 39' ' ' VAL . . . . . 0.527 HG21 HD11 ' S' ' 51' ' ' LEU . 20.2 t -113.86 99.58 8.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-O 120.773 0.32 . . . . 0.2 110.16 -179.454 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 40' ' ' GLY . . . . . . . . . . . . . . . -106.18 154.13 16.94 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.692 -0.766 . . . . 0.27 112.256 -178.092 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 41' ' ' GLY . . . . . . . . . . . . . . . 99.11 24.31 10.54 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.788 -0.72 . . . . 0.49 112.026 178.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 42' ' ' LEU . . . . . 0.401 ' HA ' ' HD3' ' S' ' 43' ' ' PRO . 92.2 mt -91.72 137.64 25.47 Favored Pre-proline 0 C--N 1.322 -0.615 0 CA-C-O 120.6 0.238 . . . . 0.6 110.591 -177.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 43' ' ' PRO . . . . . 0.556 ' HD2' ' OG1' ' S' ' 46' ' ' THR . 14.5 Cg_exo -68.4 164.86 31.02 Favored 'Trans proline' 0 N--CA 1.459 -0.541 0 C-N-CA 122.579 2.186 . . . . 0.55 111.539 173.376 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 44' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -65.99 -20.49 66.21 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.101 0.477 . . . . 2.41 110.85 -178.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 45' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -83.52 -4.9 58.95 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.358 -0.837 . . . . 2.31 110.177 -175.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 46' ' ' THR . . . . . 0.556 ' OG1' ' HD2' ' S' ' 43' ' ' PRO . 78.7 m -95.95 109.51 21.87 Favored 'General case' 0 N--CA 1.439 -1.022 0 N-CA-C 109.292 -0.633 . . . . 0.53 109.292 -176.663 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 47' ' ' SER . . . . . . . . . . . . . 14.5 m -101.54 -175.51 2.88 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.98 -0.554 . . . . 0.68 110.411 -176.139 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 48' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -55.93 -41.82 75.2 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.168 -0.924 . . . . 1.29 110.882 177.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 49' ' ' LYS . . . . . . . . . . . . . 24.0 pttm -59.84 -40.35 88.19 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.027 -0.533 . . . . 2.5 111.298 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 50' ' ' THR . . . . . . . . . . . . . 4.3 m -67.72 -49.21 63.8 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-O 121.265 0.555 . . . . 0.43 110.394 -178.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 51' ' ' LEU . . . . . 0.527 HD11 HG21 ' S' ' 39' ' ' VAL . 29.5 tp -60.98 -41.63 96.8 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 115.404 -0.817 . . . . 0.46 110.802 178.201 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 52' ' ' HIS . . . . . . . . . . . . . 39.8 t-80 -61.64 -48.51 80.54 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.532 -0.758 . . . . 0.55 111.16 -179.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 53' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -57.55 -49.48 76.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.532 -0.303 . . . . 2.24 111.585 -177.032 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 54' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -65.43 -40.09 92.9 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.533 -0.303 . . . . 0.55 111.582 -174.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 55' ' ' PHE . . . . . 0.542 ' HA ' ' HD2' ' S' ' 58' ' ' PHE . 33.9 m-85 -84.64 -20.57 31.12 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 112.295 0.48 . . . . 0.5 112.295 -174.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 56' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -60.46 -26.31 66.67 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 121.283 0.563 . . . . 1.47 110.076 176.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 57' ' ' GLN . . . . . . . . . . . . . 16.6 tp60 -57.8 -32.56 67.68 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.528 -0.76 . . . . 2.98 110.845 174.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 58' ' ' PHE . . . . . 0.542 ' HD2' ' HA ' ' S' ' 55' ' ' PHE . 75.2 m-85 -91.54 -1.51 57.48 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.436 -0.347 . . . . 0.65 111.699 -174.48 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 59' ' ' GLY . . . . . . . . . . . . . . . 143.07 -171.24 25.03 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.516 -0.85 . . . . 0.44 112.961 176.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 60' ' ' ASP . . . . . 0.589 ' OD1' ' HE2' ' S' ' 84' ' ' LYS . 11.7 m-20 -76.76 136.56 39.02 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.842 0.353 . . . . 1.99 110.512 -179.436 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 61' ' ' ILE . . . . . 0.672 HG21 ' HB2' ' S' ' 64' ' ' ALA . 56.0 mt -111.34 138.37 40.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.949 -0.568 . . . . 0.43 110.246 -178.338 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 62' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -102.44 -26.51 13.23 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.446 -0.343 . . . . 1.91 111.254 177.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 63' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -149.35 115.7 5.81 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.604 -0.271 . . . . 1.81 110.658 178.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 64' ' ' ALA . . . . . 0.672 ' HB2' HG21 ' S' ' 61' ' ' ILE . . . -137.13 103.18 5.05 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.769 0.319 . . . . 0.38 110.364 177.493 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 65' ' ' VAL . . . . . . . . . . . . . 16.3 m -142.21 139.74 29.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.084 -0.507 . . . . 0.36 110.867 -179.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 66' ' ' VAL . . . . . . . . . . . . . 60.0 t -90.36 121.46 40.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 N-CA-C 108.063 -1.088 . . . . 0.3 108.063 170.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 67' ' ' ILE . . . . . . . . . . . . . 50.1 mm -68.3 130.24 33.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.115 0.483 . . . . 0.47 111.912 -167.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 68' ' ' THR . . . . . . . . . . . . . 27.1 p -104.02 142.49 34.36 Favored 'General case' 0 N--CA 1.441 -0.875 0 CA-C-N 115.312 -0.858 . . . . 0.78 109.486 178.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 69' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -65.95 151.67 46.26 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 120.907 -0.317 . . . . 1.75 110.576 178.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 70' ' ' ARG . . . . . . . . . . . . . 54.2 mtm180 -76.46 -23.82 53.88 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.773 0.321 . . . . 4.02 111.183 -175.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 71' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 -92.75 -43.57 8.97 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.746 0.308 . . . . 2.64 110.729 -174.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 72' ' ' THR . . . . . . . . . . . . . 22.5 p -99.98 -25.14 14.42 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.342 0.497 . . . . 1.84 112.342 -176.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 73' ' ' GLN . . . . . . . . . . . . . 76.2 mm-40 60.28 37.27 20.49 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.42 0.629 . . . . 2.35 110.891 -175.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 74' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -114.55 161.83 17.52 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.444 -0.798 . . . . 2.77 109.235 174.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 75' ' ' SER . . . . . . . . . . . . . 45.7 t -59.98 137.85 57.99 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.022 0.439 . . . . 1.51 111.824 -177.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 76' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -92.76 3.76 55.03 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.976 -0.557 . . . . 2.54 111.395 177.187 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 77' ' ' GLY . . . . . . . . . . . . . . . 90.63 13.75 59.22 Favored Glycine 0 CA--C 1.52 0.378 0 C-N-CA 120.426 -0.892 . . . . 0.53 113.571 174.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 78' ' ' TYR . . . . . . . . . . . . . 29.1 p90 -156.35 156.35 33.77 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.884 0.373 . . . . 0.6 110.771 177.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 79' ' ' GLY . . . . . . . . . . . . . . . -136.42 162.43 25.11 Favored Glycine 0 N--CA 1.445 -0.737 0 C-N-CA 121.102 -0.571 . . . . 0.17 111.934 178.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 80' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -113.64 136.16 53.13 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 122.812 -0.228 . . . . 0.39 110.46 178.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 81' ' ' VAL . . . . . . . . . . . . . 56.3 t -123.2 116.48 48.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.048 -0.524 . . . . 0.24 110.061 177.002 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 82' ' ' THR . . . . . . . . . . . . . 29.3 m -105.83 114.5 28.69 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.149 -0.478 . . . . 0.3 109.776 179.068 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 83' ' ' MET . . . . . 0.623 ' HG3' ' HA ' ' S' ' 89' ' ' ALA . 92.3 mmm -87.25 170.38 11.5 Favored 'General case' 0 C--N 1.33 -0.277 0 O-C-N 123.783 0.677 . . . . 0.72 110.744 -176.331 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 84' ' ' LYS . . . . . 0.589 ' HE2' ' OD1' ' S' ' 60' ' ' ASP . 0.0 OUTLIER -85.08 -18.23 34.95 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 111.903 0.334 . . . . 2.21 111.903 -176.146 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' S' S ' 85' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -158.8 177.35 11.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.787 0.327 . . . . 1.85 110.581 -179.383 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 86' ' ' ARG . . . . . 0.437 ' NH1' ' HB3' ' S' ' 34' ' ' PHE . 23.9 tpt180 -73.15 -40.83 64.55 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.848 -0.614 . . . . 3.96 112.015 -174.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.63 -42.7 98.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.775 0.322 . . . . 0.62 111.128 -174.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 88' ' ' SER . . . . . . . . . . . . . 32.6 p -70.68 -37.65 73.65 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.788 0.327 . . . . 0.88 110.353 178.074 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 89' ' ' ALA . . . . . 0.623 ' HA ' ' HG3' ' S' ' 83' ' ' MET . . . -59.44 -51.76 68.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.815 -0.63 . . . . 0.35 111.626 178.194 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 90' ' ' GLU . . . . . 0.537 ' O ' ' HG2' ' S' ' 94' ' ' LYS . 11.5 pt-20 -74.53 -22.24 59.13 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.521 -0.472 . . . . 1.85 110.803 -179.063 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 91' ' ' ARG . . . . . . . . . . . . . 40.8 ttp180 -66.37 -32.36 73.69 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.818 -0.438 . . . . 2.92 109.818 174.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 92' ' ' ALA . . . . . . . . . . . . . . . -77.51 -34.03 54.16 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.939 -0.573 . . . . 0.47 109.891 174.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 93' ' ' CYS . . . . . . . . . . . . . 44.1 t -69.48 -9.98 56.08 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.576 -0.738 . . . . 1.35 110.743 178.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 94' ' ' LYS . . . . . 0.537 ' HG2' ' O ' ' S' ' 90' ' ' GLU . 34.3 mmtp -69.38 -14.93 63.17 Favored 'General case' 0 CA--C 1.528 0.123 0 CA-C-N 116.292 -0.413 . . . . 2.95 111.132 174.064 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 95' ' ' ASP . . . . . . . . . . . . . 15.9 t0 -104.55 97.92 13.44 Favored Pre-proline 0 C--N 1.327 -0.408 0 N-CA-C 109.463 -0.569 . . . . 2.13 109.463 178.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 96' ' ' PRO . . . . . 0.481 ' HD3' ' O ' ' S' ' 94' ' ' LYS . 14.4 Cg_exo -69.4 -55.48 0.19 Allowed 'Trans proline' 0 C--O 1.237 0.464 0 C-N-CA 123.063 2.509 . . . . 0.76 112.46 -174.676 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 97' ' ' ASN . . . . . 0.407 HD22 ' HA ' ' S' ' 97' ' ' ASN . 8.1 m120 -126.19 83.9 62.75 Favored Pre-proline 0 C--N 1.324 -0.518 0 CA-C-N 115.891 -0.595 . . . . 1.08 110.554 -179.097 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 98' ' ' PRO . . . . . 0.424 ' HG2' ' HB3' ' S' ' 105' ' ' ALA . 95.7 Cg_endo -81.98 153.58 16.97 Favored 'Trans proline' 0 N--CA 1.457 -0.657 0 C-N-CA 122.635 2.223 . . . . 0.53 112.216 178.709 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 99' ' ' ILE . . . . . . . . . . . . . 46.7 mm -95.11 106.97 18.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 121.265 0.555 . . . . 0.51 109.822 177.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 100' ' ' ILE . . . . . . . . . . . . . 53.8 mt -117.8 122.69 70.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-N 115.897 -0.592 . . . . 0.57 109.83 -178.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 101' ' ' ASP . . . . . . . . . . . . . 19.8 t70 64.85 15.2 9.73 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.68 0.752 . . . . 1.4 110.953 175.197 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 102' ' ' GLY . . . . . . . . . . . . . . . 99.76 1.2 56.33 Favored Glycine 0 N--CA 1.449 -0.438 0 CA-C-N 115.716 -0.675 . . . . 0.82 112.842 179.007 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 103' ' ' ARG . . . . . 0.445 ' NE ' ' HA ' ' S' ' 103' ' ' ARG . 2.0 tpm_? -119.82 156.2 31.12 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 122.658 -0.319 . . . . 3.11 110.366 -177.757 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 104' ' ' LYS . . . . . . . . . . . . . 29.4 ttmt -82.46 121.06 26.26 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 110.256 -0.276 . . . . 1.98 110.256 175.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 105' ' ' ALA . . . . . 0.424 ' HB3' ' HG2' ' S' ' 98' ' ' PRO . . . -97.73 161.52 13.71 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.36 -0.382 . . . . 0.33 110.453 177.276 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 106' ' ' ASN . . . . . . . . . . . . . 46.8 m-80 -119.67 112.55 19.44 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.607 -0.516 . . . . 1.99 109.607 178.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 107' ' ' VAL . . . . . . . . . . . . . 99.3 t -103.54 126.37 58.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.845 -0.616 . . . . 0.33 111.04 -177.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 108' ' ' ASN . . . . . . . . . . . . . 32.5 p-10 -157.57 168.22 27.92 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.128 -0.487 . . . . 1.76 109.926 176.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 109' ' ' LEU . . . . . . . . . . . . . 89.2 mt -84.92 135.32 34.1 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.457 -0.338 . . . . 0.57 110.656 -178.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.76 -31.38 69.6 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.693 0.627 . . . . 0.66 112.693 -173.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 111' ' ' TYR . . . . . 0.589 ' HB3' ' HB3' ' S' ' 33' ' ' MET . 4.6 p90 -71.37 -11.84 61.11 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 121.203 -0.199 . . . . 1.25 111.373 -175.049 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 112' ' ' LEU . . . . . . . . . . . . . 93.4 mt -72.68 -14.39 61.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.162 0.506 . . . . 1.54 110.574 179.103 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 113' ' ' GLY . . . . . . . . . . . . . . . 125.47 42.55 0.31 Allowed Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.81 -0.709 . . . . 1.94 112.49 178.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 114' ' ' ALA . . . . . . . . . . . . . . . -77.98 98.73 5.79 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.028 0.442 . . . . 1.62 110.556 178.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 115' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -96.49 118.25 65.44 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-N 116.069 -0.514 . . . . 5.27 110.31 -177.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 116' ' ' PRO . . . . . . . . . . . . . 64.5 Cg_exo -51.01 153.13 9.29 Favored 'Trans proline' 0 C--N 1.348 0.505 0 C-N-CA 123.252 2.635 . . . . 2.96 112.866 178.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 117' ' ' ARG . . . . . . . . . . . . . 30.6 mmm180 -81.5 48.65 1.19 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.368 0.604 . . . . 4.5 111.048 -176.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 118' ' ' THR . . . . . . . . . . . . . 33.9 p -100.87 108.67 20.5 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.565 -0.743 . . . . 6.3 110.047 178.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 119' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -78.34 86.25 4.42 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.362 -0.381 . . . . 6.91 110.249 -179.217 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 120' ' ' VAL . . . . . . . . . . . . . 3.3 p -137.32 113.08 11.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.004 -0.544 . . . . 8.89 110.494 -179.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 121' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 . . . . . 0 C--O 1.252 1.218 0 CA-C-N 115.411 -0.813 . . . . 11.5 110.634 179.559 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' S' S ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 1.279 0 N-CA-C 111.832 -0.507 . . . . 11.03 111.832 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' S' S ' 26' ' ' ALA . . . . . . . . . . . . . . . -153.03 167.91 27.62 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.957 -0.386 . . . . 9.46 109.957 179.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 27' ' ' MET . . . . . . . . . . . . . 93.7 mmm 65.26 98.69 0.04 OUTLIER 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.714 0.769 . . . . 9.91 111.862 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 28' ' ' GLY . . . . . . . . . . . . . . . -177.74 109.06 0.26 Allowed Glycine 0 N--CA 1.445 -0.732 0 CA-C-N 115.064 -0.971 . . . . 5.77 111.39 177.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 29' ' ' SER . . . . . . . . . . . . . 7.1 m -85.13 69.93 10.83 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.01 0.433 . . . . 4.45 110.21 -176.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 30' ' ' ARG . . . . . . . . . . . . . 66.1 ttt180 -126.37 140.72 52.28 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.914 -0.585 . . . . 7.03 109.922 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -95.46 143.01 27.15 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.209 0.528 . . . . 3.39 109.861 178.076 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 32' ' ' THR . . . . . 0.593 ' HA ' ' OG1' ' S' ' 35' ' ' THR . 35.3 p -114.5 25.27 11.16 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.576 -0.738 . . . . 1.26 109.291 172.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 50.2 mtm -84.56 -55.18 4.26 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.484 -0.78 . . . . 1.39 110.008 -179.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 34' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -93.06 6.07 49.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.536 -0.756 . . . . 0.97 110.835 -176.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 35' ' ' THR . . . . . 0.593 ' OG1' ' HA ' ' S' ' 32' ' ' THR . 12.7 p -114.38 -8.65 12.83 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.103 0.478 . . . . 0.55 110.533 -177.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 36' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -103.68 103.14 13.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.267 -0.879 . . . . 1.95 110.669 -176.125 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 37' ' ' ILE . . . . . 0.435 ' CG2' HG13 ' S' ' 107' ' ' VAL . 66.5 mt -90.92 130.72 39.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 115.301 -0.863 . . . . 0.41 110.771 -177.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 38' ' ' PHE . . . . . 0.455 ' HB2' ' HB2' ' S' ' 110' ' ' ALA . 90.8 t80 -98.34 121.86 40.79 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.548 -0.538 . . . . 0.45 109.548 174.207 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 39' ' ' VAL . . . . . 0.419 HG21 HD11 ' S' ' 51' ' ' LEU . 27.9 t -117.54 98.66 6.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.314 -0.403 . . . . 0.2 110.046 178.346 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 40' ' ' GLY . . . . . . . . . . . . . . . -104.44 152.89 17.57 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.636 -0.792 . . . . 0.27 111.611 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 41' ' ' GLY . . . . . . . . . . . . . . . 98.66 34.69 5.16 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.804 -0.712 . . . . 0.49 111.769 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 42' ' ' LEU . . . . . . . . . . . . . 97.5 mt -100.38 140.05 21.14 Favored Pre-proline 0 C--N 1.324 -0.528 0 CA-C-O 120.787 0.327 . . . . 0.6 110.319 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 43' ' ' PRO . . . . . 0.509 ' HD2' ' OG1' ' S' ' 46' ' ' THR . 16.9 Cg_exo -68.6 168.89 18.64 Favored 'Trans proline' 0 N--CA 1.46 -0.488 0 C-N-CA 122.539 2.16 . . . . 0.55 111.77 174.091 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 44' ' ' TYR . . . . . 0.479 ' HA ' ' HB3' ' S' ' 75' ' ' SER . 19.8 m-85 -72.72 -10.53 59.91 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.212 0.529 . . . . 2.41 110.546 -176.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 45' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -90.96 -4.41 56.5 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.366 -0.833 . . . . 2.31 109.925 -175.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 46' ' ' THR . . . . . 0.509 ' OG1' ' HD2' ' S' ' 43' ' ' PRO . 62.6 m -92.17 113.72 26.07 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-N 115.688 -0.687 . . . . 0.53 110.378 -175.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 47' ' ' SER . . . . . . . . . . . . . 36.6 m -103.61 178.95 4.41 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.026 -0.533 . . . . 0.68 110.263 179.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 48' ' ' ASP . . . . . 0.458 ' HB2' ' O ' ' S' ' 64' ' ' ALA . 6.6 p-10 -55.08 -38.14 67.7 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.199 -0.455 . . . . 1.29 110.729 178.167 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 49' ' ' LYS . . . . . 0.533 ' O ' ' HB2' ' S' ' 53' ' ' GLU . 12.7 ptmt -61.94 -27.47 68.86 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.398 -0.819 . . . . 2.5 111.297 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 50' ' ' THR . . . . . . . . . . . . . 9.2 m -84.36 -45.59 12.62 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 120.846 0.355 . . . . 0.43 110.779 -177.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 51' ' ' LEU . . . . . 0.419 HD11 HG21 ' S' ' 39' ' ' VAL . 25.6 tp -55.31 -48.38 74.22 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-O 121.444 0.64 . . . . 0.46 109.805 174.038 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 52' ' ' HIS . . . . . . . . . . . . . 31.5 t-80 -63.38 -41.53 98.8 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.109 -0.951 . . . . 0.55 110.901 178.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 53' ' ' GLU . . . . . 0.533 ' HB2' ' O ' ' S' ' 49' ' ' LYS . 5.6 tp10 -52.32 -41.55 63.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.482 -0.781 . . . . 2.24 111.4 -177.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 54' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -81.52 -45.53 15.81 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.677 -0.692 . . . . 0.55 112.175 -174.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 55' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -85.01 -20.61 30.22 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 114.76 1.393 . . . . 0.5 114.76 -167.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 56' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -65.95 -11.55 48.37 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 118.936 0.789 . . . . 1.47 110.863 -177.052 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 57' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -62.94 -23.24 67.29 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.971 -0.559 . . . . 2.98 110.143 176.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 58' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -91.07 -27.39 18.63 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.669 -0.696 . . . . 0.65 111.69 -175.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 59' ' ' GLY . . . . . . . . . . . . . . . 164.98 -172.03 40.54 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.501 -0.857 . . . . 0.44 112.659 -179.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 60' ' ' ASP . . . . . 0.597 ' HB2' ' HB3' ' S' ' 84' ' ' LYS . 3.0 m-20 -62.28 124.33 20.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.867 0.365 . . . . 1.99 111.57 -179.229 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 61' ' ' ILE . . . . . 0.562 HG21 ' HB2' ' S' ' 64' ' ' ALA . 47.5 mt -104.32 120.71 55.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.839 -0.619 . . . . 0.43 110.096 173.758 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 62' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -92.15 -32.87 14.95 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.373 -0.376 . . . . 1.91 110.695 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 63' ' ' GLU . . . . . 0.415 ' HB3' ' HB ' ' S' ' 82' ' ' THR . 31.6 tt0 -140.11 126.22 19.79 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 110.041 -0.355 . . . . 1.81 110.041 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 64' ' ' ALA . . . . . 0.562 ' HB2' HG21 ' S' ' 61' ' ' ILE . . . -150.34 101.74 3.0 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.581 0.229 . . . . 0.38 110.674 178.422 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 65' ' ' VAL . . . . . . . . . . . . . 34.9 m -139.05 144.09 30.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.421 -0.354 . . . . 0.36 111.275 -179.031 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 66' ' ' VAL . . . . . . . . . . . . . 89.2 t -96.74 121.94 47.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 N-CA-C 108.925 -0.769 . . . . 0.3 108.925 172.204 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 67' ' ' ILE . . . . . . . . . . . . . 48.7 mm -73.56 116.98 16.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.275 0.56 . . . . 0.47 111.879 -170.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 68' ' ' THR . . . . . . . . . . . . . 4.0 p -92.51 142.23 27.63 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.481 -0.781 . . . . 0.78 109.725 172.665 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 69' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -64.26 139.31 58.75 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 110.08 -0.341 . . . . 1.75 110.08 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 70' ' ' ARG . . . . . . . . . . . . . 41.0 mtp180 -74.59 -23.09 58.69 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 111.82 0.304 . . . . 4.02 111.82 -174.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 71' ' ' ASN . . . . . . . . . . . . . 46.7 t-20 -85.39 -56.61 3.44 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.81 0.338 . . . . 2.64 110.261 -177.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 72' ' ' THR . . . . . 0.453 ' HB ' ' HG2' ' S' ' 74' ' ' LYS . 32.1 p -89.49 -20.6 23.65 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.087 -0.506 . . . . 1.84 112.364 -175.2 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 73' ' ' GLN . . . . . . . . . . . . . 17.7 mm-40 64.36 28.92 13.71 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-O 121.34 0.591 . . . . 2.35 111.27 -178.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 74' ' ' LYS . . . . . 0.453 ' HG2' ' HB ' ' S' ' 72' ' ' THR . 29.0 mmmt -104.56 154.59 19.73 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.803 -0.814 . . . . 2.77 108.803 175.466 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 75' ' ' SER . . . . . 0.479 ' HB3' ' HA ' ' S' ' 44' ' ' TYR . 44.7 t -65.26 132.63 49.55 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.85 0.357 . . . . 1.51 110.697 179.542 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 76' ' ' ARG . . . . . . . . . . . . . 92.6 mtt180 -83.92 -3.08 57.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.265 -0.425 . . . . 2.54 111.141 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 77' ' ' GLY . . . . . . . . . . . . . . . 83.72 30.46 29.45 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.644 -0.789 . . . . 0.53 113.337 174.008 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 78' ' ' TYR . . . . . . . . . . . . . 24.1 p90 -161.67 156.57 23.23 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 110.128 -0.323 . . . . 0.6 110.128 176.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 79' ' ' GLY . . . . . . . . . . . . . . . -145.14 169.41 26.82 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.838 -0.696 . . . . 0.17 112.051 178.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 80' ' ' PHE . . . . . 0.404 ' CE1' ' HD1' ' S' ' 38' ' ' PHE . 96.6 m-85 -122.04 138.45 54.43 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.629 0.252 . . . . 0.39 110.53 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 81' ' ' VAL . . . . . 0.411 ' HB ' ' HB ' ' S' ' 37' ' ' ILE . 42.3 t -122.69 122.48 66.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.29 -0.414 . . . . 0.24 110.844 178.166 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 82' ' ' THR . . . . . 0.436 ' HA ' ' O ' ' S' ' 35' ' ' THR . 58.3 m -102.62 114.24 28.3 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 109.657 -0.497 . . . . 0.3 109.657 175.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 83' ' ' MET . . . . . 0.625 ' HG3' ' HA ' ' S' ' 89' ' ' ALA . 98.2 mmm -92.29 165.47 13.08 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.798 -0.637 . . . . 0.72 111.046 -177.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 84' ' ' LYS . . . . . 0.597 ' HB3' ' HB2' ' S' ' 60' ' ' ASP . 12.5 ptmm? -56.82 -45.76 82.09 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.434 -0.803 . . . . 2.21 112.194 179.63 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 85' ' ' ASP . . . . . 0.402 ' OD2' ' HG3' ' S' ' 84' ' ' LYS . 3.7 p30 -146.73 170.41 17.04 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.845 -0.428 . . . . 1.85 109.845 -177.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 86' ' ' ARG . . . . . 0.509 ' O ' ' HG3' ' S' ' 90' ' ' GLU . 39.2 ptt180 -69.29 -32.73 72.07 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.059 -0.519 . . . . 3.96 111.993 -174.745 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 87' ' ' ALA . . . . . . . . . . . . . . . -71.63 -43.52 66.01 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.87 0.367 . . . . 0.62 110.46 -177.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 88' ' ' SER . . . . . . . . . . . . . 50.8 m -63.32 -39.5 94.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.158 0.504 . . . . 0.88 110.011 175.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 89' ' ' ALA . . . . . 0.625 ' HA ' ' HG3' ' S' ' 83' ' ' MET . . . -59.97 -42.72 94.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.578 -0.737 . . . . 0.35 110.927 174.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 90' ' ' GLU . . . . . 0.522 ' O ' ' HG2' ' S' ' 94' ' ' LYS . 44.7 mt-10 -62.03 -35.41 78.51 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 116.55 -0.295 . . . . 1.85 111.174 177.402 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 91' ' ' ARG . . . . . . . . . . . . . 53.5 ttt180 -62.28 -37.77 86.79 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 110.04 -0.355 . . . . 2.92 110.04 177.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 92' ' ' ALA . . . . . . . . . . . . . . . -71.18 -35.88 71.77 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.945 -0.57 . . . . 0.47 110.598 176.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 93' ' ' CYS . . . . . . . . . . . . . 22.3 t -78.63 0.1 27.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.804 -0.634 . . . . 1.35 110.945 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 94' ' ' LYS . . . . . 0.522 ' HG2' ' O ' ' S' ' 90' ' ' GLU . 37.9 mmtm -71.81 -11.58 60.87 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.366 -0.379 . . . . 2.95 110.765 172.248 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 95' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -111.65 85.77 6.37 Favored Pre-proline 0 C--N 1.327 -0.386 0 N-CA-C 109.318 -0.623 . . . . 2.13 109.318 170.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 96' ' ' PRO . . . . . 0.425 ' HD3' ' O ' ' S' ' 94' ' ' LYS . 19.6 Cg_exo -66.73 -33.43 34.81 Favored 'Trans proline' 0 C--N 1.346 0.442 0 C-N-CA 122.941 2.427 . . . . 0.76 112.089 -176.713 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 97' ' ' ASN . . . . . 0.475 ' HA ' ' O ' ' S' ' 105' ' ' ALA . 10.1 m120 -125.28 85.02 58.89 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 115.978 -0.555 . . . . 1.08 110.427 178.422 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 98' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -83.95 149.18 12.28 Favored 'Trans proline' 0 N--CA 1.455 -0.781 0 C-N-CA 122.844 2.363 . . . . 0.53 111.653 176.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 99' ' ' ILE . . . . . . . . . . . . . 47.9 mm -97.52 91.47 2.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 121.629 0.728 . . . . 0.51 110.052 178.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 100' ' ' ILE . . . . . . . . . . . . . 58.5 mt -102.49 118.44 49.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 115.281 -0.872 . . . . 0.57 109.884 -178.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 101' ' ' ASP . . . . . 0.404 ' OD2' ' HG2' ' S' ' 43' ' ' PRO . 33.0 t70 65.06 14.42 9.35 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-O 122.042 0.925 . . . . 1.4 110.448 -177.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 102' ' ' GLY . . . . . . . . . . . . . . . 93.84 -1.19 68.0 Favored Glycine 0 N--CA 1.448 -0.502 0 CA-C-N 115.737 -0.665 . . . . 0.82 112.027 -178.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 103' ' ' ARG . . . . . . . . . . . . . 2.7 tpp180 -99.63 138.47 36.66 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.592 -0.522 . . . . 3.11 109.592 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 104' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -84.3 103.15 13.23 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.846 -0.428 . . . . 1.98 109.846 179.059 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 105' ' ' ALA . . . . . 0.475 ' O ' ' HA ' ' S' ' 97' ' ' ASN . . . -82.86 164.5 20.48 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.86 -0.609 . . . . 0.33 111.125 -177.155 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 106' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -117.09 109.14 16.58 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.776 -0.647 . . . . 1.99 109.29 177.336 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 107' ' ' VAL . . . . . 0.435 HG13 ' CG2' ' S' ' 37' ' ' ILE . 76.8 t -104.76 127.63 59.07 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 115.938 -0.574 . . . . 0.33 110.609 -176.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 108' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -159.01 156.78 29.99 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.872 -0.604 . . . . 1.76 109.584 -179.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 109' ' ' LEU . . . . . . . . . . . . . 93.4 mt -70.99 123.75 22.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.055 0.455 . . . . 0.57 109.793 177.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 110' ' ' ALA . . . . . 0.455 ' HB2' ' HB2' ' S' ' 38' ' ' PHE . . . -70.57 -10.86 60.3 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 113.01 0.745 . . . . 0.66 113.01 -170.348 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 111' ' ' TYR . . . . . . . . . . . . . 8.2 p90 -70.6 -16.99 62.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.674 0.273 . . . . 1.25 111.313 -175.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 112' ' ' LEU . . . . . . . . . . . . . 86.0 mt -79.81 -64.48 1.18 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.74 0.305 . . . . 1.54 111.222 -179.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 113' ' ' GLY . . . . . . . . . . . . . . . -177.21 64.67 0.09 OUTLIER Glycine 0 N--CA 1.448 -0.518 0 C-N-CA 120.42 -0.895 . . . . 1.94 112.157 -178.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 114' ' ' ALA . . . . . . . . . . . . . . . -71.65 102.85 2.87 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.922 -0.399 . . . . 1.62 109.922 177.222 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 115' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -106.41 108.3 61.56 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 116.316 -0.402 . . . . 5.27 111.03 -175.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 116' ' ' PRO . . . . . . . . . . . . . 9.0 Cg_exo -72.46 -165.94 0.25 Allowed 'Trans proline' 0 CA--C 1.529 0.272 0 C-N-CA 123.278 2.652 . . . . 2.96 111.695 176.046 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 117' ' ' ARG . . . . . 0.405 ' O ' ' HB ' ' S' ' 118' ' ' THR . 14.9 ptm180 -81.65 31.79 0.36 Allowed 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 111.999 0.37 . . . . 4.5 111.999 -176.728 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 118' ' ' THR . . . . . 0.405 ' HB ' ' O ' ' S' ' 117' ' ' ARG . 51.8 m 72.75 122.32 0.04 OUTLIER 'General case' 0 CA--C 1.535 0.374 0 O-C-N 123.603 0.565 . . . . 6.3 111.462 -178.589 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 119' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 -167.81 -59.74 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.641 -0.708 . . . . 6.91 109.108 179.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 120' ' ' VAL . . . . . . . . . . . . . 47.2 t 71.44 -75.37 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.202 0 CA-C-N 115.121 -0.945 . . . . 8.89 111.614 177.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 121' ' ' GLN . . . . . 0.436 ' HA ' ' OE1' ' S' ' 121' ' ' GLN . 6.4 tp60 . . . . . 0 C--O 1.253 1.247 0 CA-C-O 118.448 -0.787 . . . . 11.5 110.876 -173.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.75 0 N-CA-C 111.944 -0.462 . . . . 11.03 111.944 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' S' S ' 26' ' ' ALA . . . . . 0.456 ' O ' ' HB2' ' S' ' 27' ' ' MET . . . -81.23 -28.58 34.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.657 0.228 . . . . 9.46 111.572 -175.48 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 27' ' ' MET . . . . . 0.456 ' HB2' ' O ' ' S' ' 26' ' ' ALA . 51.0 mtt 73.36 -56.7 0.65 Allowed 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.058 0.543 . . . . 9.91 111.797 178.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.89 -78.63 0.28 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 121.087 -0.578 . . . . 5.77 112.569 -177.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 29' ' ' SER . . . . . . . . . . . . . 22.7 t -165.29 147.25 7.69 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 110.22 -0.289 . . . . 4.45 110.22 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 30' ' ' ARG . . . . . . . . . . . . . 19.1 ptt180 -96.41 140.57 30.88 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 109.346 -0.613 . . . . 7.03 109.346 175.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 31' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -96.54 140.59 30.95 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.368 -0.605 . . . . 3.39 109.368 178.369 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 32' ' ' THR . . . . . 0.494 ' O ' ' HB2' ' S' ' 36' ' ' LYS . 6.0 p -113.15 21.83 14.94 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-O 121.512 0.672 . . . . 1.26 109.478 175.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 27.1 ttt -85.97 -54.44 4.49 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.427 -0.806 . . . . 1.39 110.595 -179.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 34' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -96.9 1.15 50.16 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.875 -0.602 . . . . 0.97 110.998 -174.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 35' ' ' THR . . . . . 0.447 ' O ' ' HA ' ' S' ' 82' ' ' THR . 25.0 p -110.4 4.48 20.66 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.401 0.619 . . . . 0.55 109.933 -178.526 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 36' ' ' LYS . . . . . 0.494 ' HB2' ' O ' ' S' ' 32' ' ' THR . 76.9 tttt -102.18 102.77 13.24 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.078 -0.965 . . . . 1.95 110.852 -173.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 37' ' ' ILE . . . . . . . . . . . . . 66.9 mt -97.42 136.03 29.67 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-N 115.28 -0.873 . . . . 0.41 110.703 -178.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 38' ' ' PHE . . . . . 0.406 ' HD1' ' CE1' ' S' ' 80' ' ' PHE . 84.9 t80 -98.35 126.88 44.04 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.177 -0.675 . . . . 0.45 109.177 175.362 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 39' ' ' VAL . . . . . . . . . . . . . 20.5 t -120.23 96.37 4.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 120.946 0.403 . . . . 0.2 110.356 177.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 40' ' ' GLY . . . . . . . . . . . . . . . -109.5 170.47 14.42 Favored Glycine 0 N--CA 1.449 -0.5 0 N-CA-C 110.927 -0.869 . . . . 0.27 110.927 177.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 41' ' ' GLY . . . . . . . . . . . . . . . 88.33 7.61 72.55 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.381 -0.914 . . . . 0.49 112.05 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 42' ' ' LEU . . . . . . . . . . . . . 96.3 mt -74.35 157.36 86.56 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-N 115.775 -0.213 . . . . 0.6 110.462 -179.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 43' ' ' PRO . . . . . 0.511 ' HG2' ' HB3' ' S' ' 101' ' ' ASP . 44.9 Cg_exo -58.15 152.32 53.17 Favored 'Trans proline' 0 N--CA 1.459 -0.512 0 C-N-CA 122.333 2.022 . . . . 0.55 111.33 169.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 44' ' ' TYR . . . . . . . . . . . . . 66.5 t80 -59.87 -33.78 72.27 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 112.667 0.617 . . . . 2.41 112.667 -173.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 45' ' ' HIS . . . . . . . . . . . . . 10.2 p80 -104.52 25.92 9.65 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.05 0.389 . . . . 2.31 112.05 -172.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 46' ' ' THR . . . . . . . . . . . . . 85.5 m -71.61 123.19 21.94 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.836 0.35 . . . . 0.53 110.083 178.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 47' ' ' SER . . . . . . . . . . . . . 31.5 m -88.11 157.43 18.85 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-O 120.952 0.406 . . . . 0.68 111.134 -177.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 48' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -54.09 -45.7 71.88 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.338 -0.846 . . . . 1.29 111.322 -178.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 49' ' ' LYS . . . . . 0.477 ' O ' ' HB2' ' S' ' 53' ' ' GLU . 13.0 ptmm? -59.46 -32.59 70.37 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-N 116.3 -0.409 . . . . 2.5 111.21 -179.564 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 50' ' ' THR . . . . . . . . . . . . . 40.9 m -71.31 -39.39 71.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.85 0.357 . . . . 0.43 110.974 -177.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 51' ' ' LEU . . . . . 0.621 HD22 ' HA3' ' S' ' 79' ' ' GLY . 47.9 tp -64.11 -47.67 79.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.045 0.45 . . . . 0.46 110.189 176.38 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 52' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -61.15 -44.44 97.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.633 -0.712 . . . . 0.55 110.72 178.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 53' ' ' GLU . . . . . 0.477 ' HB2' ' O ' ' S' ' 49' ' ' LYS . 30.6 tt0 -59.79 -36.39 76.6 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.462 -0.79 . . . . 2.24 111.776 -177.062 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 54' ' ' TYR . . . . . . . . . . . . . 71.3 t80 -76.49 -40.47 50.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.898 0.38 . . . . 0.55 111.161 -178.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 55' ' ' PHE . . . . . 0.6 ' HA ' ' HD2' ' S' ' 58' ' ' PHE . 27.4 m-85 -79.01 -19.49 51.43 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 111.961 0.356 . . . . 0.5 111.961 -177.316 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 56' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -52.2 -25.97 10.48 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 115.941 -0.572 . . . . 1.47 111.004 176.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 57' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -71.58 -37.93 70.98 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.55 0.69 . . . . 2.98 110.84 -177.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 58' ' ' PHE . . . . . 0.6 ' HD2' ' HA ' ' S' ' 55' ' ' PHE . 87.2 m-85 -75.62 -30.52 59.55 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.914 -1.039 . . . . 0.65 111.697 -175.01 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 59' ' ' GLY . . . . . . . . . . . . . . . 171.53 -163.1 35.73 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.26 -0.971 . . . . 0.44 112.498 178.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 60' ' ' ASP . . . . . 0.988 ' HB3' ' HG2' ' S' ' 84' ' ' LYS . 27.5 t0 -88.68 143.35 26.99 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.02 0.438 . . . . 1.99 110.095 -178.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 61' ' ' ILE . . . . . . . . . . . . . 20.7 mt -121.96 136.53 58.53 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 115.898 -0.592 . . . . 0.43 110.549 -170.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 62' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -86.64 -36.15 18.95 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.739 -0.384 . . . . 1.91 110.46 177.058 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 63' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -164.79 136.51 4.35 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.499 -0.318 . . . . 1.81 110.567 174.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 64' ' ' ALA . . . . . . . . . . . . . . . -145.12 108.65 4.65 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.657 -0.497 . . . . 0.38 109.657 177.011 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 65' ' ' VAL . . . . . . . . . . . . . 24.3 m -136.4 148.71 27.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 120.946 0.403 . . . . 0.36 111.873 -174.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 66' ' ' VAL . . . . . . . . . . . . . 87.8 t -90.44 116.14 31.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 109.025 -0.732 . . . . 0.3 109.025 172.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 67' ' ' ILE . . . . . . . . . . . . . 46.2 mm -70.06 125.61 28.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.117 -0.492 . . . . 0.47 111.409 -173.075 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 68' ' ' THR . . . . . . . . . . . . . 9.5 p -82.53 138.62 34.24 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.548 -0.751 . . . . 0.78 109.518 175.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 69' ' ' ASP . . . . . 0.403 ' HA ' ' NE ' ' S' ' 76' ' ' ARG . 30.7 t70 -56.53 136.31 54.32 Favored 'General case' 0 CA--C 1.513 -0.453 0 CA-C-O 121.222 0.534 . . . . 1.75 110.358 -178.022 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 70' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -78.83 -12.98 60.05 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-N 116.154 -0.475 . . . . 4.02 111.477 -171.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 71' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -95.19 -56.48 2.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.96 0.409 . . . . 2.64 110.732 177.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 72' ' ' THR . . . . . 0.423 ' O ' ' HB2' ' S' ' 73' ' ' GLN . 38.0 p -86.81 -23.21 25.43 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.959 -0.564 . . . . 1.84 112.353 -174.694 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 73' ' ' GLN . . . . . 0.423 ' HB2' ' O ' ' S' ' 72' ' ' THR . 25.7 mm-40 73.14 11.67 5.06 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.382 0.673 . . . . 2.35 111.111 -176.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 74' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -94.28 156.95 16.27 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.44 -0.578 . . . . 2.77 109.44 176.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 75' ' ' SER . . . . . . . . . . . . . 15.2 m -56.74 145.55 28.73 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.689 0.28 . . . . 1.51 111.016 -178.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 76' ' ' ARG . . . . . 0.422 ' HB3' ' CE1' ' S' ' 78' ' ' TYR . 81.8 mtt180 -100.49 -3.53 30.62 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.161 0.43 . . . . 2.54 112.161 -179.367 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 77' ' ' GLY . . . . . . . . . . . . . . . 77.16 29.45 56.59 Favored Glycine 0 CA--C 1.521 0.447 0 C-N-CA 120.522 -0.847 . . . . 0.53 113.335 177.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 78' ' ' TYR . . . . . 0.422 ' CE1' ' HB3' ' S' ' 76' ' ' ARG . 22.5 p90 -157.77 157.23 32.99 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.738 -0.468 . . . . 0.6 109.738 174.63 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 79' ' ' GLY . . . . . 0.621 ' HA3' HD22 ' S' ' 51' ' ' LEU . . . -141.04 163.14 26.71 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.303 -0.951 . . . . 0.17 112.36 -179.194 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 80' ' ' PHE . . . . . 0.406 ' CE1' ' HD1' ' S' ' 38' ' ' PHE . 97.3 m-85 -114.66 138.48 50.64 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.786 -0.45 . . . . 0.39 109.786 175.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 81' ' ' VAL . . . . . . . . . . . . . 43.5 t -121.05 125.22 73.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.151 -0.477 . . . . 0.24 110.568 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 82' ' ' THR . . . . . 0.447 ' HA ' ' O ' ' S' ' 35' ' ' THR . 17.1 m -111.38 107.03 16.14 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.213 -0.662 . . . . 0.3 109.213 175.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 83' ' ' MET . . . . . 0.651 ' HG3' ' HA ' ' S' ' 89' ' ' ALA . 93.9 mmm -82.36 158.6 23.31 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.873 -0.603 . . . . 0.72 110.23 -177.539 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 84' ' ' LYS . . . . . 0.988 ' HG2' ' HB3' ' S' ' 60' ' ' ASP . 0.0 OUTLIER -75.34 -22.04 57.91 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.346 -0.388 . . . . 2.21 111.536 -176.378 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' S' S ' 85' ' ' ASP . . . . . 0.589 ' HB2' ' HD3' ' S' ' 84' ' ' LYS . 32.7 t70 -149.72 159.55 44.25 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 110.079 -0.341 . . . . 1.85 110.079 -175.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 86' ' ' ARG . . . . . 0.485 ' O ' ' HG2' ' S' ' 90' ' ' GLU . 60.5 ttt180 -67.5 -38.05 83.73 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 111.88 0.326 . . . . 3.96 111.88 -177.379 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.89 -50.15 74.89 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.79 0.329 . . . . 0.62 111.25 -174.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 88' ' ' SER . . . . . . . . . . . . . 3.0 p -65.83 -36.22 82.87 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.841 0.353 . . . . 0.88 110.857 177.095 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 89' ' ' ALA . . . . . 0.651 ' HA ' ' HG3' ' S' ' 83' ' ' MET . . . -61.06 -54.92 38.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.995 -0.548 . . . . 0.35 111.8 178.168 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 90' ' ' GLU . . . . . 0.485 ' HG2' ' O ' ' S' ' 86' ' ' ARG . 22.2 pt-20 -71.85 -22.52 61.52 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 121.074 -0.251 . . . . 1.85 110.994 -177.367 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 91' ' ' ARG . . . . . . . . . . . . . 68.6 ttt180 -61.08 -42.9 99.37 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.992 0.425 . . . . 2.92 110.077 173.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.76 -31.95 68.93 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.866 -0.607 . . . . 0.47 110.493 177.124 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 93' ' ' CYS . . . . . . . . . . . . . 44.3 t -75.31 -10.24 59.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.943 -0.571 . . . . 1.35 111.207 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 94' ' ' LYS . . . . . 0.416 ' HB3' ' HE3' ' S' ' 94' ' ' LYS . 24.5 mmmt -64.4 -22.1 66.85 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-N 116.642 -0.254 . . . . 2.95 110.983 175.477 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 95' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -114.47 101.04 54.0 Favored Pre-proline 0 C--N 1.327 -0.379 0 N-CA-C 109.505 -0.554 . . . . 2.13 109.505 176.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 96' ' ' PRO . . . . . 0.436 ' O ' ' HA ' ' S' ' 106' ' ' ASN . 67.4 Cg_endo -74.85 -24.89 12.71 Favored 'Trans proline' 0 N--CA 1.46 -0.49 0 C-N-CA 122.509 2.139 . . . . 0.76 113.334 -175.044 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 97' ' ' ASN . . . . . 0.585 ' HA ' ' O ' ' S' ' 105' ' ' ALA . 10.5 m120 -137.97 74.09 44.5 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-O 120.658 0.266 . . . . 1.08 111.061 -175.104 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 98' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -84.53 156.33 12.28 Favored 'Trans proline' 0 N--CA 1.457 -0.675 0 C-N-CA 122.969 2.446 . . . . 0.53 111.811 177.383 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 99' ' ' ILE . . . . . . . . . . . . . 44.8 mm -90.35 100.73 11.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 116.076 -0.511 . . . . 0.51 110.064 177.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 100' ' ' ILE . . . . . . . . . . . . . 49.6 mt -107.15 116.79 51.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 116.215 -0.448 . . . . 0.57 109.862 179.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 101' ' ' ASP . . . . . 0.511 ' HB3' ' HG2' ' S' ' 43' ' ' PRO . 34.3 t70 59.87 22.63 11.6 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 115.276 -0.875 . . . . 1.4 111.323 177.028 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 102' ' ' GLY . . . . . . . . . . . . . . . 98.55 4.6 57.1 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.695 -0.764 . . . . 0.82 113.306 175.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 103' ' ' ARG . . . . . 0.524 ' HE ' ' HA ' ' S' ' 103' ' ' ARG . 0.0 OUTLIER -123.35 152.81 41.12 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 117.482 0.641 . . . . 3.11 110.799 179.912 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' S' S ' 104' ' ' LYS . . . . . . . . . . . . . 39.5 mtpt -80.11 111.06 16.1 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-N 116.265 -0.425 . . . . 1.98 110.77 175.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 105' ' ' ALA . . . . . 0.585 ' O ' ' HA ' ' S' ' 97' ' ' ASN . . . -93.8 161.83 14.17 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.762 -0.654 . . . . 0.33 110.097 177.032 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 106' ' ' ASN . . . . . 0.436 ' HA ' ' O ' ' S' ' 96' ' ' PRO . 7.3 t30 -117.12 109.68 17.24 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 109.004 -0.739 . . . . 1.99 109.004 176.078 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 107' ' ' VAL . . . . . . . . . . . . . 88.7 t -107.65 126.48 64.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.878 -0.601 . . . . 0.33 110.087 -177.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 108' ' ' ASN . . . . . . . . . . . . . 29.5 p-10 -168.84 170.05 9.44 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.098 -0.501 . . . . 1.76 110.481 177.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 109' ' ' LEU . . . . . 0.446 HD13 ' HE2' ' S' ' 111' ' ' TYR . 92.6 mt -70.78 123.24 21.48 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.208 -0.451 . . . . 0.57 110.151 178.472 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.8 -29.77 70.97 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 113.057 0.762 . . . . 0.66 113.057 -170.175 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 111' ' ' TYR . . . . . 0.446 ' HE2' HD13 ' S' ' 109' ' ' LEU . 31.4 p90 -73.09 -10.32 59.66 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.983 -0.287 . . . . 1.25 111.407 -175.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 112' ' ' LEU . . . . . . . . . . . . . 91.6 mt -80.89 -32.15 34.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.724 0.297 . . . . 1.54 110.643 179.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 113' ' ' GLY . . . . . . . . . . . . . . . 161.52 71.0 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.292 -0.956 . . . . 1.94 112.69 -179.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 114' ' ' ALA . . . . . . . . . . . . . . . -94.89 118.94 32.61 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.887 0.375 . . . . 1.62 111.205 179.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 115' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -108.65 117.84 53.25 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-N 116.122 -0.49 . . . . 5.27 110.201 176.519 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 116' ' ' PRO . . . . . 0.585 ' O ' ' HG2' ' S' ' 117' ' ' ARG . 37.6 Cg_exo -58.36 113.29 1.48 Allowed 'Trans proline' 0 N--CA 1.464 -0.223 0 C-N-CA 122.779 2.32 . . . . 2.96 111.58 173.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 117' ' ' ARG . . . . . 0.585 ' HG2' ' O ' ' S' ' 116' ' ' PRO . 12.6 ptm180 56.4 -169.82 0.09 Allowed 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.311 1.044 . . . . 4.5 112.046 -178.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 118' ' ' THR . . . . . . . . . . . . . 19.0 p -70.37 108.14 4.1 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.958 -0.564 . . . . 6.3 111.176 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 119' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -94.06 10.05 35.21 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.357 0.598 . . . . 6.91 109.948 176.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 120' ' ' VAL . . . . . . . . . . . . . 32.1 m -101.73 -179.08 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.472 -0.786 . . . . 8.89 110.843 -177.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 121' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 . . . . . 0 C--O 1.245 0.835 0 CA-C-O 118.987 -0.53 . . . . 11.5 110.539 -179.434 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' S' S ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.743 0 N-CA-C 111.724 -0.55 . . . . 11.03 111.724 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' S' S ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.18 -28.29 63.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.859 0.361 . . . . 9.46 111.08 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 27' ' ' MET . . . . . . . . . . . . . 24.8 ttt -141.77 -64.92 0.43 Allowed 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.659 -0.496 . . . . 9.91 109.659 177.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 28' ' ' GLY . . . . . . . . . . . . . . . -158.02 105.36 0.27 Allowed Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.859 -0.686 . . . . 5.77 111.834 177.177 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 29' ' ' SER . . . . . . . . . . . . . 20.8 t -174.29 162.23 3.59 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.25 -0.648 . . . . 4.45 109.25 -179.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 30' ' ' ARG . . . . . . . . . . . . . 32.4 ptt180 -98.04 118.79 35.42 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.949 0.404 . . . . 7.03 110.266 178.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 31' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -75.59 102.58 5.35 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.021 -0.536 . . . . 3.39 110.303 178.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 32' ' ' THR . . . . . 0.415 ' HA ' ' OG1' ' S' ' 35' ' ' THR . 0.7 OUTLIER -79.54 43.61 0.57 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.269 0.557 . . . . 1.26 111.575 -179.525 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 88.3 mtp -82.86 -46.44 13.01 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.979 0.418 . . . . 1.39 110.36 179.238 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 34' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -97.92 3.46 49.65 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.805 -0.634 . . . . 0.97 111.553 -176.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 35' ' ' THR . . . . . 0.415 ' OG1' ' HA ' ' S' ' 32' ' ' THR . 7.1 p -114.53 -11.79 12.38 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.037 0.446 . . . . 0.55 110.875 -178.396 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 36' ' ' LYS . . . . . . . . . . . . . 73.5 tttt -102.47 115.45 30.61 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.027 -0.533 . . . . 1.95 110.084 -177.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 37' ' ' ILE . . . . . . . . . . . . . 66.9 mt -96.3 131.38 43.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.796 -0.638 . . . . 0.41 110.797 -178.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 38' ' ' PHE . . . . . 0.795 ' HZ ' ' HD3' ' S' ' 116' ' ' PRO . 72.7 t80 -97.17 116.47 29.43 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.577 -0.738 . . . . 0.45 109.147 173.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 39' ' ' VAL . . . . . . . . . . . . . 18.3 t -112.34 109.42 28.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 120.991 0.424 . . . . 0.2 110.657 -178.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 40' ' ' GLY . . . . . . . . . . . . . . . -109.14 168.08 13.2 Favored Glycine 0 N--CA 1.443 -0.891 0 C-N-CA 120.948 -0.644 . . . . 0.27 111.727 178.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.98 17.2 63.6 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.831 -0.699 . . . . 0.49 112.566 179.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 42' ' ' LEU . . . . . . . . . . . . . 92.7 mt -82.1 145.79 53.65 Favored Pre-proline 0 C--N 1.328 -0.362 0 O-C-N 122.796 -0.238 . . . . 0.6 110.433 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 43' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.15 160.19 8.71 Favored 'Trans proline' 0 CA--C 1.532 0.399 0 C-N-CA 122.552 2.168 . . . . 0.55 112.402 175.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 44' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -75.52 1.84 13.19 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 113.389 0.885 . . . . 2.41 113.389 -165.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 45' ' ' HIS . . . . . . . . . . . . . 7.9 p80 -140.83 13.19 2.28 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 121.73 -0.607 . . . . 2.31 110.962 178.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 46' ' ' THR . . . . . . . . . . . . . 86.9 m -76.15 114.82 15.24 Favored 'General case' 0 N--CA 1.445 -0.721 0 N-CA-C 108.995 -0.743 . . . . 0.53 108.995 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 47' ' ' SER . . . . . . . . . . . . . 50.4 m -97.45 -177.27 3.76 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.185 0.517 . . . . 0.68 111.996 -171.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 48' ' ' ASP . . . . . 0.401 ' CB ' ' HA ' ' S' ' 65' ' ' VAL . 7.8 p-10 -59.88 -38.24 81.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.058 -0.974 . . . . 1.29 111.994 -174.064 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 49' ' ' LYS . . . . . 0.48 ' HG3' ' N ' ' S' ' 50' ' ' THR . 5.0 ptpp? -59.24 -33.55 71.15 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-O 120.876 0.369 . . . . 2.5 110.837 -178.436 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 50' ' ' THR . . . . . 0.48 ' N ' ' HG3' ' S' ' 49' ' ' LYS . 7.9 m -76.6 -47.91 20.87 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.126 -0.488 . . . . 0.43 110.809 -177.205 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 51' ' ' LEU . . . . . . . . . . . . . 21.1 tp -64.22 -42.59 96.5 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.418 -0.355 . . . . 0.46 110.92 -179.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 52' ' ' HIS . . . . . . . . . . . . . 11.2 t-80 -61.36 -52.2 65.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.08 -0.509 . . . . 0.55 110.873 178.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 53' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -60.31 -30.04 69.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 2.24 111.643 -175.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 54' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -74.54 -49.96 19.93 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.395 -0.366 . . . . 0.55 111.469 -179.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 55' ' ' PHE . . . . . 0.448 ' HA ' ' HD2' ' S' ' 58' ' ' PHE . 38.9 m-85 -78.03 -20.77 51.81 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.655 0.613 . . . . 0.5 112.655 -173.396 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 56' ' ' GLU . . . . . 0.415 ' HA ' ' O ' ' S' ' 59' ' ' GLY . 30.3 tt0 -64.49 -20.7 66.36 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.244 0.545 . . . . 1.47 110.748 -179.435 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 57' ' ' GLN . . . . . . . . . . . . . 34.0 tp60 -62.7 -32.14 73.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.566 -0.743 . . . . 2.98 110.711 173.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 58' ' ' PHE . . . . . 0.448 ' HD2' ' HA ' ' S' ' 55' ' ' PHE . 85.6 m-85 -89.0 -12.23 42.0 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.818 0.342 . . . . 0.65 111.035 -177.034 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 59' ' ' GLY . . . . . 0.415 ' O ' ' HA ' ' S' ' 56' ' ' GLU . . . 160.94 167.92 22.08 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.693 -0.765 . . . . 0.44 112.095 179.003 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 60' ' ' ASP . . . . . 0.623 ' HB2' ' HD2' ' S' ' 84' ' ' LYS . 3.6 m-20 -68.02 144.84 54.96 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 110.143 -0.318 . . . . 1.99 110.143 -179.387 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 61' ' ' ILE . . . . . . . . . . . . . 75.3 mt -118.71 139.28 46.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.996 0.427 . . . . 0.43 111.493 -172.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 62' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -76.65 -55.61 5.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.003 -0.544 . . . . 1.91 110.148 173.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 63' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -161.94 120.71 2.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.682 -0.69 . . . . 1.81 110.489 -176.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 64' ' ' ALA . . . . . 0.503 ' HB2' HG13 ' S' ' 81' ' ' VAL . . . -126.18 110.17 13.17 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.935 -0.575 . . . . 0.38 110.617 178.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 65' ' ' VAL . . . . . 0.401 ' HA ' ' CB ' ' S' ' 48' ' ' ASP . 33.9 m -131.16 142.96 42.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.824 0.345 . . . . 0.36 111.017 -177.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 66' ' ' VAL . . . . . 0.464 HG13 ' O ' ' S' ' 78' ' ' TYR . 94.3 t -95.49 123.03 47.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 108.616 -0.883 . . . . 0.3 108.616 172.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 67' ' ' ILE . . . . . . . . . . . . . 49.3 mm -68.97 126.72 29.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 116.048 -0.524 . . . . 0.47 111.48 -170.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 68' ' ' THR . . . . . . . . . . . . . 4.7 p -99.93 131.84 45.65 Favored 'General case' 0 N--CA 1.443 -0.817 0 CA-C-N 115.349 -0.842 . . . . 0.78 109.39 176.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 69' ' ' ASP . . . . . 0.499 ' HB3' ' OG1' ' S' ' 72' ' ' THR . 28.3 t70 -64.25 148.18 50.74 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.322 -0.399 . . . . 1.75 110.904 -176.357 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 70' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 -73.35 -22.75 60.22 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.187 -0.46 . . . . 4.02 111.629 -174.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 71' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -94.85 -52.02 4.44 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.505 -0.316 . . . . 2.64 111.07 -178.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 72' ' ' THR . . . . . 0.499 ' OG1' ' HB3' ' S' ' 69' ' ' ASP . 39.9 p -82.78 -23.75 33.74 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.347 -0.388 . . . . 1.84 111.75 -176.298 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 73' ' ' GLN . . . . . . . . . . . . . 14.2 mm-40 58.64 30.5 19.97 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 121.315 0.579 . . . . 2.35 111.316 -177.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 74' ' ' LYS . . . . . . . . . . . . . 58.8 mttp -124.95 168.56 13.13 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.321 -0.854 . . . . 2.77 109.913 178.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 75' ' ' SER . . . . . . . . . . . . . 37.1 m -60.41 130.84 48.62 Favored 'General case' 0 C--N 1.329 -0.316 0 O-C-N 123.735 0.647 . . . . 1.51 111.388 -177.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 76' ' ' ARG . . . . . . . . . . . . . 86.4 mtt180 -84.82 6.64 23.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.008 0.432 . . . . 2.54 111.162 176.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 77' ' ' GLY . . . . . . . . . . . . . . . 81.41 17.41 71.36 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.503 -0.856 . . . . 0.53 112.902 175.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 78' ' ' TYR . . . . . 0.464 ' O ' HG13 ' S' ' 66' ' ' VAL . 22.1 p90 -152.48 153.97 34.57 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 110.022 -0.362 . . . . 0.6 110.022 176.588 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 79' ' ' GLY . . . . . . . . . . . . . . . -142.5 165.08 26.86 Favored Glycine 0 N--CA 1.445 -0.735 0 C-N-CA 120.807 -0.711 . . . . 0.17 112.0 179.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 80' ' ' PHE . . . . . 0.497 ' O ' ' HA ' ' S' ' 64' ' ' ALA . 88.9 m-85 -117.67 134.93 54.37 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.899 -0.408 . . . . 0.39 109.899 178.599 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 81' ' ' VAL . . . . . 0.503 HG13 ' HB2' ' S' ' 64' ' ' ALA . 48.4 t -123.17 109.16 22.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.324 -0.398 . . . . 0.24 110.578 -179.791 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 82' ' ' THR . . . . . . . . . . . . . 20.8 m -90.91 112.77 24.76 Favored 'General case' 0 C--N 1.316 -0.848 0 N-CA-C 109.233 -0.654 . . . . 0.3 109.233 177.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 83' ' ' MET . . . . . 0.557 ' HG3' ' HA ' ' S' ' 89' ' ' ALA . 94.6 mmm -85.23 165.09 17.65 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 123.366 0.416 . . . . 0.72 110.629 -177.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 84' ' ' LYS . . . . . 0.623 ' HD2' ' HB2' ' S' ' 60' ' ' ASP . 13.8 ptmm? -63.42 -41.55 98.71 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.876 -0.602 . . . . 2.21 110.963 179.127 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 85' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -137.88 170.36 16.19 Favored 'General case' 0 CA--C 1.511 -0.541 0 CA-C-N 115.437 -0.801 . . . . 1.85 110.162 -175.073 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 86' ' ' ARG . . . . . . . . . . . . . 36.4 ptt180 -74.38 -22.98 58.93 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.468 -0.787 . . . . 3.96 109.752 173.116 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 87' ' ' ALA . . . . . . . . . . . . . . . -75.83 -38.98 57.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.62 110.899 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 88' ' ' SER . . . . . . . . . . . . . 29.5 p -70.61 -39.41 73.77 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.261 -0.644 . . . . 0.88 109.261 175.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 89' ' ' ALA . . . . . 0.557 ' HA ' ' HG3' ' S' ' 83' ' ' MET . . . -56.56 -49.05 75.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.163 -0.926 . . . . 0.35 111.053 174.081 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 90' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -55.94 -41.61 74.92 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 116.338 -0.392 . . . . 1.85 111.394 177.122 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 91' ' ' ARG . . . . . . . . . . . . . 37.4 ttp180 -68.26 -22.97 64.72 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.347 -0.388 . . . . 2.92 110.792 -177.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 92' ' ' ALA . . . . . . . . . . . . . . . -89.69 -32.27 17.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.175 -0.466 . . . . 0.47 111.024 176.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 93' ' ' CYS . . . . . . . . . . . . . 52.4 m -93.79 7.89 43.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.172 0.51 . . . . 1.35 110.892 -178.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 94' ' ' LYS . . . . . . . . . . . . . 14.2 tppt? -67.94 -11.57 59.05 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.747 -0.66 . . . . 2.95 110.969 179.062 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 95' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -129.13 115.39 18.73 Favored Pre-proline 0 C--N 1.323 -0.573 0 N-CA-C 108.903 -0.777 . . . . 2.13 108.903 171.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 96' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_endo -69.55 -25.58 29.45 Favored 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 122.433 2.089 . . . . 0.76 113.389 -175.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 97' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -136.31 75.34 52.69 Favored Pre-proline 0 C--N 1.331 -0.222 0 CA-C-O 120.611 0.243 . . . . 1.08 111.47 -175.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 98' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -87.94 161.2 7.44 Favored 'Trans proline' 0 N--CA 1.452 -0.964 0 C-N-CA 122.61 2.207 . . . . 0.53 111.62 176.114 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 99' ' ' ILE . . . . . . . . . . . . . 52.0 mm -90.81 107.34 18.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.132 -0.485 . . . . 0.51 110.247 178.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 100' ' ' ILE . . . . . . . . . . . . . 47.6 mt -112.74 116.76 53.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.908 -0.587 . . . . 0.57 110.238 -177.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 101' ' ' ASP . . . . . . . . . . . . . 24.8 t0 63.55 26.12 14.62 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.858 0.837 . . . . 1.4 110.544 175.177 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 102' ' ' GLY . . . . . . . . . . . . . . . 88.43 10.16 68.42 Favored Glycine 0 N--CA 1.449 -0.444 0 CA-C-N 115.587 -0.733 . . . . 0.82 112.619 178.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 103' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' S' ' 103' ' ' ARG . 3.6 tpt180 -127.92 140.34 52.06 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.66 0.267 . . . . 3.11 110.492 -177.712 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 104' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -78.49 111.68 14.78 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 110.011 -0.366 . . . . 1.98 110.011 176.109 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 105' ' ' ALA . . . . . . . . . . . . . . . -106.88 165.71 11.13 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.011 -0.54 . . . . 0.33 111.178 -175.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 106' ' ' ASN . . . . . . . . . . . . . 62.4 m-80 -112.0 118.08 34.46 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.932 -0.576 . . . . 1.99 109.673 177.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 107' ' ' VAL . . . . . . . . . . . . . 55.9 t -109.13 128.26 65.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.299 -0.41 . . . . 0.33 110.61 -177.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 108' ' ' ASN . . . . . . . . . . . . . 58.6 t30 -160.17 164.31 32.98 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.655 -0.498 . . . . 1.76 109.655 -178.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 109' ' ' LEU . . . . . . . . . . . . . 97.6 mt -75.03 143.81 43.35 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 120.675 0.274 . . . . 0.57 110.627 178.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.5 -26.55 68.61 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.886 0.699 . . . . 0.66 112.886 -173.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 111' ' ' TYR . . . . . . . . . . . . . 7.2 p90 -79.9 -5.54 55.75 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.388 -0.525 . . . . 1.25 110.392 -178.306 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 112' ' ' LEU . . . . . . . . . . . . . 97.9 mt -112.97 -0.43 14.79 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-N 116.119 -0.491 . . . . 1.54 110.6 177.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 113' ' ' GLY . . . . . . . . . . . . . . . -178.6 123.34 0.86 Allowed Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 121.015 -0.612 . . . . 1.94 111.922 -178.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 114' ' ' ALA . . . . . . . . . . . . . . . -113.24 -176.79 2.98 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 110.509 -0.182 . . . . 1.62 110.509 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 115' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.22 126.11 44.09 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-O 121.206 0.526 . . . . 5.27 111.613 -175.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 116' ' ' PRO . . . . . 0.795 ' HD3' ' HZ ' ' S' ' 38' ' ' PHE . 72.4 Cg_endo -80.94 72.51 6.49 Favored 'Trans proline' 0 N--CA 1.459 -0.533 0 C-N-CA 122.903 2.402 . . . . 2.96 112.581 -173.259 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 117' ' ' ARG . . . . . 0.656 ' HA ' ' NE ' ' S' ' 117' ' ' ARG . 1.5 mmp_? -126.05 6.54 7.22 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.268 -0.424 . . . . 4.5 111.631 -179.642 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 118' ' ' THR . . . . . . . . . . . . . 9.3 m -111.47 104.54 12.97 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.92 -0.4 . . . . 6.3 109.92 178.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 119' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -105.23 93.83 4.9 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.056 0.455 . . . . 6.91 111.256 -179.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 120' ' ' VAL . . . . . . . . . . . . . 44.2 t -112.96 87.01 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 N-CA-C 108.896 -0.779 . . . . 8.89 108.896 172.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 121' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 . . . . . 0 C--O 1.249 1.062 0 O-C-N 124.172 0.92 . . . . 11.5 110.745 -177.405 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' S' S ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.636 0 N-CA-C 111.829 -0.508 . . . . 11.03 111.829 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' S' S ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.2 -41.56 99.18 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.733 0.301 . . . . 9.46 111.476 -179.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 27' ' ' MET . . . . . . . . . . . . . 26.4 ptt? -98.55 160.51 14.23 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.259 -0.428 . . . . 9.91 110.646 -178.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 28' ' ' GLY . . . . . . . . . . . . . . . 139.83 -172.14 23.51 Favored Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.945 -0.645 . . . . 5.77 111.784 177.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 29' ' ' SER . . . . . . . . . . . . . 5.0 t -144.24 -62.79 0.38 Allowed 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.383 -0.599 . . . . 4.45 109.383 178.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 30' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' S' ' 30' ' ' ARG . 12.2 ptt180 -125.76 103.06 7.61 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.291 0.567 . . . . 7.03 109.98 174.718 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 31' ' ' ASP . . . . . . . . . . . . . 20.6 p-10 -86.77 -2.58 58.67 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.964 -0.562 . . . . 3.39 111.039 -175.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 32' ' ' THR . . . . . . . . . . . . . 21.0 p -74.54 4.42 6.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.914 -0.585 . . . . 1.26 111.82 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 54.7 ttp -63.67 -24.35 67.75 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.016 0.436 . . . . 1.39 110.957 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 34' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -106.18 5.9 30.38 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.193 -0.458 . . . . 0.97 111.727 -178.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 35' ' ' THR . . . . . 0.543 ' HB ' ' O ' ' S' ' 83' ' ' MET . 69.2 p -123.06 -17.0 6.84 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.318 0.58 . . . . 0.55 110.365 -178.002 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 36' ' ' LYS . . . . . . . . . . . . . 49.7 tttm -87.22 104.06 16.02 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.217 -0.901 . . . . 1.95 109.673 178.224 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 37' ' ' ILE . . . . . 0.452 HG12 HD23 ' S' ' 109' ' ' LEU . 42.4 mt -96.7 143.73 11.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 115.576 -0.738 . . . . 0.41 111.271 -177.104 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 38' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -100.61 129.02 46.48 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.013 -0.539 . . . . 0.45 109.792 176.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 39' ' ' VAL . . . . . 0.595 HG13 HG22 ' S' ' 107' ' ' VAL . 21.7 t -122.3 101.45 9.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 109.916 -0.401 . . . . 0.2 109.916 179.431 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 40' ' ' GLY . . . . . . . . . . . . . . . -108.72 167.52 13.12 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.492 -0.861 . . . . 0.27 111.881 -178.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 41' ' ' GLY . . . . . . . . . . . . . . . 86.08 15.53 64.7 Favored Glycine 0 N--CA 1.453 -0.18 0 C-N-CA 120.819 -0.705 . . . . 0.49 112.273 177.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 42' ' ' LEU . . . . . . . . . . . . . 97.1 mt -80.87 155.56 72.94 Favored Pre-proline 0 C--N 1.323 -0.549 0 N-CA-C 110.263 -0.273 . . . . 0.6 110.263 -178.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 43' ' ' PRO . . . . . 0.705 ' HG3' ' HG2' ' S' ' 103' ' ' ARG . 6.7 Cg_exo -70.95 165.53 32.01 Favored 'Trans proline' 0 N--CA 1.455 -0.792 0 C-N-CA 122.301 2.001 . . . . 0.55 111.4 172.739 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 44' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -78.95 -5.41 53.68 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.217 0.532 . . . . 2.41 109.928 -178.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 45' ' ' HIS . . . . . . . . . . . . . 20.8 m-70 -90.74 -11.99 37.93 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.039 -0.982 . . . . 2.31 109.831 -176.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 46' ' ' THR . . . . . 0.581 ' OG1' ' HD2' ' S' ' 43' ' ' PRO . 43.3 m -78.72 117.03 19.47 Favored 'General case' 0 N--CA 1.44 -0.949 0 CA-C-N 115.958 -0.564 . . . . 0.53 110.201 -173.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 47' ' ' SER . . . . . . . . . . . . . 6.3 m -94.33 169.46 10.21 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.218 -0.446 . . . . 0.68 110.431 -178.426 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 48' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -56.0 -42.63 76.71 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.277 0.56 . . . . 1.29 109.951 178.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 49' ' ' LYS . . . . . . . . . . . . . 46.7 pttt -58.37 -35.52 72.1 Favored 'General case' 0 C--O 1.225 -0.216 0 CA-C-N 115.227 -0.897 . . . . 2.5 111.245 176.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 50' ' ' THR . . . . . . . . . . . . . 19.1 m -73.19 -44.16 60.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.413 -0.358 . . . . 0.43 110.847 -175.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 51' ' ' LEU . . . . . 0.538 HD22 ' HA3' ' S' ' 79' ' ' GLY . 34.0 tp -58.51 -44.35 89.43 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 120.942 0.401 . . . . 0.46 109.943 175.496 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 52' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -62.75 -51.99 64.96 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.842 -0.617 . . . . 0.55 110.678 177.515 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 53' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -54.9 -41.63 71.18 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.679 -0.691 . . . . 2.24 111.715 -176.128 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 54' ' ' TYR . . . . . 0.467 ' O ' ' HG2' ' S' ' 57' ' ' GLN . 87.1 t80 -70.26 -43.38 70.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.774 0.321 . . . . 0.55 111.684 -177.73 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 55' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -83.53 -19.36 35.82 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 111.921 0.341 . . . . 0.5 111.921 -175.289 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 56' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -52.35 -27.78 16.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.87 -0.605 . . . . 1.47 111.643 177.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 57' ' ' GLN . . . . . 0.467 ' HG2' ' O ' ' S' ' 54' ' ' TYR . 16.4 mm-40 -61.34 -35.12 76.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.531 0.681 . . . . 2.98 110.586 -177.742 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 58' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -83.54 -33.69 25.42 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.32 -0.855 . . . . 0.65 112.544 -173.208 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 59' ' ' GLY . . . . . . . . . . . . . . . 173.72 -175.02 46.39 Favored Glycine 0 C--O 1.229 -0.173 0 C-N-CA 119.914 -1.136 . . . . 0.44 113.041 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 60' ' ' ASP . . . . . 0.779 ' HB2' ' HG2' ' S' ' 84' ' ' LYS . 3.5 m-20 -67.67 141.48 56.67 Favored 'General case' 0 C--O 1.237 0.425 0 CA-C-O 120.821 0.343 . . . . 1.99 110.559 -178.558 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 61' ' ' ILE . . . . . 0.527 HG21 ' HB2' ' S' ' 64' ' ' ALA . 60.1 mt -120.66 128.85 76.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.805 -0.634 . . . . 0.43 110.607 -178.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 62' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -79.11 -49.6 12.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.174 -0.466 . . . . 1.91 110.078 177.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 63' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -146.05 127.37 14.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.866 -0.606 . . . . 1.81 110.582 -177.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 64' ' ' ALA . . . . . 0.527 ' HB2' HG21 ' S' ' 61' ' ' ILE . . . -139.31 107.43 5.74 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.862 -0.422 . . . . 0.38 109.862 177.446 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 65' ' ' VAL . . . . . . . . . . . . . 29.9 m -136.87 149.86 26.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.137 -0.483 . . . . 0.36 111.284 -177.007 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 66' ' ' VAL . . . . . . . . . . . . . 99.4 t -103.84 111.84 35.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 109.001 -0.74 . . . . 0.3 109.001 174.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 67' ' ' ILE . . . . . . . . . . . . . 47.3 mm -69.06 128.18 32.12 Favored 'Isoleucine or valine' 0 C--O 1.238 0.499 0 CA-C-N 115.994 -0.548 . . . . 0.47 112.076 -168.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 68' ' ' THR . . . . . . . . . . . . . 15.3 p -99.63 160.98 13.89 Favored 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.589 -0.732 . . . . 0.78 109.803 174.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 69' ' ' ASP . . . . . 0.458 ' O ' ' HA ' ' S' ' 73' ' ' GLN . 23.9 t70 -84.88 150.24 25.12 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.962 -0.384 . . . . 1.75 109.962 178.454 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 70' ' ' ARG . . . . . . . . . . . . . 22.2 mtm180 -78.73 -32.58 46.86 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.933 -0.307 . . . . 4.02 111.604 -175.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 71' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -86.96 -34.27 19.36 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.669 0.271 . . . . 2.64 111.27 -174.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 72' ' ' THR . . . . . 0.436 ' OG1' ' HB3' ' S' ' 69' ' ' ASP . 60.1 p -99.25 -26.21 14.25 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.868 -0.333 . . . . 1.84 111.235 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 73' ' ' GLN . . . . . 0.458 ' HA ' ' O ' ' S' ' 69' ' ' ASP . 15.9 mm-40 61.02 23.35 13.52 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.731 -0.668 . . . . 2.35 111.633 -176.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 74' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -103.88 158.76 16.18 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.638 -0.71 . . . . 2.77 109.239 175.062 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 75' ' ' SER . . . . . . . . . . . . . 1.7 p -66.28 132.61 48.79 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.786 0.326 . . . . 1.51 110.825 179.158 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 76' ' ' ARG . . . . . 0.552 ' HD2' ' HE1' ' S' ' 78' ' ' TYR . 92.0 mtt180 -79.64 -17.38 53.9 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.284 -0.416 . . . . 2.54 110.583 -178.391 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 77' ' ' GLY . . . . . . . . . . . . . . . 97.53 30.7 7.13 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.91 -0.662 . . . . 0.53 112.696 178.124 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 78' ' ' TYR . . . . . 0.552 ' HE1' ' HD2' ' S' ' 76' ' ' ARG . 19.0 p90 -161.06 156.93 25.31 Favored 'General case' 0 C--N 1.329 -0.318 0 O-C-N 122.574 -0.368 . . . . 0.6 110.134 177.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 79' ' ' GLY . . . . . 0.538 ' HA3' HD22 ' S' ' 51' ' ' LEU . . . -142.29 171.08 24.78 Favored Glycine 0 N--CA 1.447 -0.577 0 CA-C-N 115.972 -0.558 . . . . 0.17 112.172 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 80' ' ' PHE . . . . . 0.468 ' CE2' ' HE2' ' S' ' 78' ' ' TYR . 91.0 m-85 -120.25 135.72 54.9 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 110.393 -0.225 . . . . 0.39 110.393 176.419 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 81' ' ' VAL . . . . . . . . . . . . . 58.8 t -120.65 107.91 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 109.924 -0.399 . . . . 0.24 109.924 177.103 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 82' ' ' THR . . . . . . . . . . . . . 10.6 m -97.1 107.99 20.63 Favored 'General case' 0 C--N 1.316 -0.874 0 N-CA-C 109.179 -0.674 . . . . 0.3 109.179 177.054 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 83' ' ' MET . . . . . 0.69 ' SD ' ' HA ' ' S' ' 89' ' ' ALA . 52.6 mtp -91.41 162.1 14.72 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.956 -0.387 . . . . 0.72 109.956 -178.276 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 84' ' ' LYS . . . . . 0.928 ' HD2' ' HB3' ' S' ' 85' ' ' ASP . 0.0 OUTLIER -72.02 -16.22 62.05 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 113.186 0.81 . . . . 2.21 113.186 -170.343 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' S' S ' 85' ' ' ASP . . . . . 0.928 ' HB3' ' HD2' ' S' ' 84' ' ' LYS . 0.0 OUTLIER -157.2 160.65 38.92 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.629 0.252 . . . . 1.85 110.721 -177.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' S' S ' 86' ' ' ARG . . . . . 0.491 ' O ' ' HG3' ' S' ' 90' ' ' GLU . 17.9 ttp180 -65.67 -41.22 92.75 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.917 -0.583 . . . . 3.96 111.429 -175.49 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.18 -45.1 93.33 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 120.759 0.314 . . . . 0.62 111.076 -175.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 88' ' ' SER . . . . . . . . . . . . . 8.8 p -66.86 -38.74 86.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.88 110.651 176.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 89' ' ' ALA . . . . . 0.69 ' HA ' ' SD ' ' S' ' 83' ' ' MET . . . -60.07 -45.73 91.92 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 116.195 -0.457 . . . . 0.35 110.751 177.074 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 90' ' ' GLU . . . . . 0.572 ' O ' ' HG2' ' S' ' 94' ' ' LYS . 52.0 mt-10 -65.86 -31.89 73.09 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 116.334 -0.394 . . . . 1.85 110.31 178.474 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 91' ' ' ARG . . . . . . . . . . . . . 44.6 ttt180 -62.21 -32.42 73.08 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.709 -0.478 . . . . 2.92 109.709 177.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 92' ' ' ALA . . . . . . . . . . . . . . . -84.32 -33.98 23.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.823 -0.626 . . . . 0.47 110.425 177.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 93' ' ' CYS . . . . . . . . . . . . . 18.2 t -80.63 1.18 30.97 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.729 -0.668 . . . . 1.35 111.084 -178.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 94' ' ' LYS . . . . . 0.572 ' HG2' ' O ' ' S' ' 90' ' ' GLU . 37.4 mmtm -67.29 -16.05 64.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.318 -0.401 . . . . 2.95 111.457 175.538 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 95' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -122.03 96.38 46.73 Favored Pre-proline 0 C--N 1.324 -0.502 0 N-CA-C 109.363 -0.606 . . . . 2.13 109.363 177.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 96' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -74.52 -29.7 8.84 Favored 'Trans proline' 0 N--CA 1.463 -0.286 0 C-N-CA 122.531 2.154 . . . . 0.76 113.383 -174.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 97' ' ' ASN . . . . . 0.549 ' HA ' ' O ' ' S' ' 105' ' ' ALA . 14.3 m120 -126.43 70.7 70.92 Favored Pre-proline 0 C--O 1.235 0.312 0 CA-C-O 120.781 0.324 . . . . 1.08 111.344 -177.675 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 98' ' ' PRO . . . . . . . . . . . . . 4.5 Cg_endo -85.4 165.23 10.9 Favored 'Trans proline' 0 N--CA 1.454 -0.822 0 C-N-CA 123.128 2.552 . . . . 0.53 112.327 -178.438 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 99' ' ' ILE . . . . . . . . . . . . . 45.1 mm -96.91 102.89 14.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 N-CA-C 109.26 -0.645 . . . . 0.51 109.26 175.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 100' ' ' ILE . . . . . . . . . . . . . 56.8 mt -118.54 115.61 48.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.366 -0.379 . . . . 0.57 110.568 -175.206 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 101' ' ' ASP . . . . . 0.468 ' HB3' ' HG2' ' S' ' 43' ' ' PRO . 24.1 t0 63.78 20.52 12.26 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 115.46 -0.791 . . . . 1.4 110.63 173.474 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 102' ' ' GLY . . . . . . . . . . . . . . . 107.76 -17.46 35.83 Favored Glycine 0 C--N 1.332 0.308 0 CA-C-N 115.688 -0.687 . . . . 0.82 113.33 176.116 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 103' ' ' ARG . . . . . 0.705 ' HG2' ' HG3' ' S' ' 43' ' ' PRO . 27.0 mmm180 -108.47 148.24 30.5 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 117.12 0.46 . . . . 3.11 111.211 -179.566 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 104' ' ' LYS . . . . . . . . . . . . . 23.7 ttmm -80.58 113.64 18.91 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.029 -0.73 . . . . 1.98 109.029 171.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 105' ' ' ALA . . . . . 0.549 ' O ' ' HA ' ' S' ' 97' ' ' ASN . . . -93.61 165.41 12.74 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.587 -0.733 . . . . 0.33 111.031 -174.533 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 106' ' ' ASN . . . . . . . . . . . . . 40.2 t-20 -117.85 108.75 15.71 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 108.524 -0.917 . . . . 1.99 108.524 174.426 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 107' ' ' VAL . . . . . 0.595 HG22 HG13 ' S' ' 39' ' ' VAL . 48.5 t -106.41 126.51 62.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.914 -0.584 . . . . 0.33 110.088 -177.463 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 108' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -160.3 147.6 16.13 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.018 -0.537 . . . . 1.76 109.669 -177.086 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 109' ' ' LEU . . . . . 0.452 HD23 HG12 ' S' ' 37' ' ' ILE . 93.2 mt -57.38 135.15 56.52 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.843 0.354 . . . . 0.57 110.633 -179.572 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 110' ' ' ALA . . . . . 0.601 ' HA ' ' O ' ' S' ' 113' ' ' GLY . . . -68.13 -11.32 58.94 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 113.716 1.006 . . . . 0.66 113.716 -167.45 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 111' ' ' TYR . . . . . . . . . . . . . 21.7 p90 -85.71 -10.02 56.29 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.028 -0.669 . . . . 1.25 110.07 177.052 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 112' ' ' LEU . . . . . . . . . . . . . 97.1 mt -107.18 -47.32 3.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.661 -0.7 . . . . 1.54 109.719 175.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 113' ' ' GLY . . . . . 0.601 ' O ' ' HA ' ' S' ' 110' ' ' ALA . . . -116.9 127.54 7.48 Favored Glycine 0 N--CA 1.447 -0.614 0 N-CA-C 111.076 -0.81 . . . . 1.94 111.076 176.672 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 114' ' ' ALA . . . . . . . . . . . . . . . -128.82 -176.07 3.73 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.734 0.302 . . . . 1.62 111.388 -174.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 115' ' ' LYS . . . . . 0.581 ' HE3' ' HA ' ' S' ' 118' ' ' THR . 56.3 pttt -50.78 127.83 26.35 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 115.399 -0.819 . . . . 5.27 111.338 -177.519 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 116' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -54.23 -49.86 15.54 Favored 'Trans proline' 0 C--N 1.349 0.553 0 C-N-CA 123.115 2.544 . . . . 2.96 111.933 -178.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 117' ' ' ARG . . . . . 0.465 ' HD2' ' HD3' ' S' ' 76' ' ' ARG . 16.8 ptp180 -85.62 78.14 9.69 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 115.122 -0.945 . . . . 4.5 108.999 173.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 118' ' ' THR . . . . . 0.581 ' HA ' ' HE3' ' S' ' 115' ' ' LYS . 0.5 OUTLIER -79.09 -77.16 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.467 -0.788 . . . . 6.3 110.646 -175.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' S' S ' 119' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -174.23 149.36 1.39 Allowed 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.328 -0.99 . . . . 6.91 108.328 176.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 120' ' ' VAL . . . . . . . . . . . . . 27.6 m -109.63 168.46 3.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 121.161 0.505 . . . . 8.89 111.439 -176.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 121' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 . . . . . 0 C--O 1.247 0.968 0 CA-C-N 115.632 -0.713 . . . . 11.5 109.112 177.276 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' S' S ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.78 0 N-CA-C 112.067 -0.413 . . . . 11.03 112.067 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' S' S ' 26' ' ' ALA . . . . . . . . . . . . . . . 66.61 -73.98 0.07 Allowed 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 123.511 0.724 . . . . 9.46 111.219 -177.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 27' ' ' MET . . . . . . . . . . . . . 66.3 mtt -138.8 -82.68 0.29 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.237 0.541 . . . . 9.91 109.889 179.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 28' ' ' GLY . . . . . . . . . . . . . . . 171.2 144.96 4.61 Favored Glycine 0 N--CA 1.444 -0.827 0 N-CA-C 111.211 -0.756 . . . . 5.77 111.211 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 29' ' ' SER . . . . . 0.65 ' HB2' HG21 ' S' ' 32' ' ' THR . 28.9 p -157.54 143.86 17.78 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.903 0.351 . . . . 4.45 110.338 -179.294 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 30' ' ' ARG . . . . . . . . . . . . . 60.0 mtm180 -103.96 121.82 43.93 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.08 -0.509 . . . . 7.03 111.599 -172.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 31' ' ' ASP . . . . . 0.512 ' OD2' ' HD2' ' S' ' 86' ' ' ARG . 4.5 m-20 56.48 19.49 4.17 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.897 0.879 . . . . 3.39 112.408 176.597 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 32' ' ' THR . . . . . 0.65 HG21 ' HB2' ' S' ' 29' ' ' SER . 2.3 p -67.53 -32.86 73.94 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 112.201 0.445 . . . . 1.26 112.201 -175.273 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 60.6 mtm -61.31 -27.61 68.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.435 -0.348 . . . . 1.39 111.168 -179.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 34' ' ' PHE . . . . . 0.485 ' HB2' ' HG2' ' S' ' 86' ' ' ARG . 29.9 m-85 -109.27 19.18 19.7 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.312 -0.404 . . . . 0.97 111.39 -176.627 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 35' ' ' THR . . . . . 0.478 ' OG1' ' HA ' ' S' ' 32' ' ' THR . 7.2 p -132.31 -36.66 1.12 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.68 0.276 . . . . 0.55 111.086 178.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 36' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -83.97 103.48 13.26 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.398 0.618 . . . . 1.95 110.562 178.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 37' ' ' ILE . . . . . . . . . . . . . 55.3 mt -96.69 145.53 8.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.58 -0.736 . . . . 0.41 110.84 -177.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 38' ' ' PHE . . . . . . . . . . . . . 75.1 t80 -99.26 123.35 43.47 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.927 -0.579 . . . . 0.45 109.789 176.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 39' ' ' VAL . . . . . . . . . . . . . 26.1 t -119.28 108.91 24.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 120.699 0.285 . . . . 0.2 110.58 -179.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 40' ' ' GLY . . . . . . . . . . . . . . . -106.39 161.39 14.15 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 121.0 -0.619 . . . . 0.27 111.693 179.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 41' ' ' GLY . . . . . . . . . . . . . . . 96.5 24.9 12.89 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.445 -0.884 . . . . 0.49 112.227 177.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 42' ' ' LEU . . . . . 0.432 ' O ' ' HA2' ' S' ' 77' ' ' GLY . 90.4 mt -91.66 136.57 26.39 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-O 120.807 0.337 . . . . 0.6 110.241 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 43' ' ' PRO . . . . . 0.434 ' HD2' ' OG1' ' S' ' 46' ' ' THR . 34.1 Cg_exo -60.42 163.09 15.8 Favored 'Trans proline' 0 CA--C 1.534 0.497 0 C-N-CA 122.77 2.313 . . . . 0.55 112.215 173.396 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 44' ' ' TYR . . . . . 0.574 ' HA ' ' HB2' ' S' ' 75' ' ' SER . 23.8 m-85 -76.4 -13.85 60.1 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.898 -0.592 . . . . 2.41 111.925 -172.074 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 45' ' ' HIS . . . . . . . . . . . . . 2.4 p80 -104.45 10.08 35.37 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.16 0.505 . . . . 2.31 110.226 -179.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 46' ' ' THR . . . . . 0.531 HG23 ' HB ' ' S' ' 50' ' ' THR . 96.8 m -85.18 122.01 28.76 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.654 -0.703 . . . . 0.53 110.045 178.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 47' ' ' SER . . . . . . . . . . . . . 6.3 m -103.75 175.53 5.45 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.172 -0.467 . . . . 0.68 111.108 -176.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 48' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -50.93 -44.41 60.26 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 115.558 -0.747 . . . . 1.29 110.83 177.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 49' ' ' LYS . . . . . . . . . . . . . 7.2 ptpp? -60.91 -34.18 74.28 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.228 -0.896 . . . . 2.5 111.964 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 50' ' ' THR . . . . . 0.531 ' HB ' HG23 ' S' ' 46' ' ' THR . 3.8 m -71.51 -45.88 61.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.06 0.457 . . . . 0.43 110.3 -178.355 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 51' ' ' LEU . . . . . . . . . . . . . 32.6 tp -62.3 -43.72 98.17 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.832 -0.622 . . . . 0.46 110.551 176.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 52' ' ' HIS . . . . . . . . . . . . . 51.5 t-80 -61.46 -44.71 96.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.676 -0.693 . . . . 0.55 110.402 178.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 53' ' ' GLU . . . . . . . . . . . . . 18.4 tp10 -49.04 -49.84 39.24 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.558 -0.747 . . . . 2.24 111.446 178.539 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 54' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -69.16 -42.71 75.56 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.885 -0.598 . . . . 0.55 111.753 -173.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 55' ' ' PHE . . . . . 0.599 ' HA ' ' HD2' ' S' ' 58' ' ' PHE . 47.6 m-85 -83.47 -20.64 33.64 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.639 0.607 . . . . 0.5 112.639 -173.7 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 56' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -65.88 -18.7 65.51 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 121.371 0.605 . . . . 1.47 109.745 176.372 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 57' ' ' GLN . . . . . . . . . . . . . 14.2 tp60 -66.71 -32.75 74.26 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.509 -0.769 . . . . 2.98 110.729 172.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 58' ' ' PHE . . . . . 0.599 ' HD2' ' HA ' ' S' ' 55' ' ' PHE . 98.1 m-85 -82.17 -36.66 27.14 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.604 -0.271 . . . . 0.65 110.993 -178.021 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 59' ' ' GLY . . . . . . . . . . . . . . . 167.39 -168.2 40.37 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.584 -0.817 . . . . 0.44 112.794 178.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 60' ' ' ASP . . . . . 0.902 ' HB2' ' HB2' ' S' ' 84' ' ' LYS . 0.8 OUTLIER -61.18 143.87 54.74 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 123.009 0.524 . . . . 1.99 111.421 -179.022 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' S' S ' 61' ' ' ILE . . . . . 0.54 HG21 ' HB2' ' S' ' 64' ' ' ALA . 71.8 mt -124.36 138.96 52.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.301 -0.409 . . . . 0.43 110.179 179.527 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 62' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -91.8 -41.67 10.52 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.889 0.376 . . . . 1.91 111.384 177.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 63' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -156.44 115.74 3.48 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.237 -0.438 . . . . 1.81 109.84 -174.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 64' ' ' ALA . . . . . 0.54 ' HB2' HG21 ' S' ' 61' ' ' ILE . . . -139.21 105.03 5.15 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.667 0.27 . . . . 0.38 111.248 -176.495 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 65' ' ' VAL . . . . . . . . . . . . . 33.5 m -137.1 144.81 31.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.393 -0.367 . . . . 0.36 110.808 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 66' ' ' VAL . . . . . . . . . . . . . 86.4 t -89.19 125.55 42.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 108.829 -0.804 . . . . 0.3 108.829 173.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 67' ' ' ILE . . . . . . . . . . . . . 46.0 mm -78.33 112.12 15.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.257 0.551 . . . . 0.47 111.092 -172.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 68' ' ' THR . . . . . . . . . . . . . 32.3 p -92.38 156.83 16.96 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.56 -0.746 . . . . 0.78 109.897 175.383 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 69' ' ' ASP . . . . . 0.513 ' HA ' ' HE ' ' S' ' 76' ' ' ARG . 14.6 t70 -79.12 145.84 33.52 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.121 -0.696 . . . . 1.75 109.121 175.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 70' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -77.96 -10.27 59.51 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 112.059 0.392 . . . . 4.02 112.059 -172.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 71' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -88.73 -52.77 4.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.658 0.266 . . . . 2.64 111.463 179.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 72' ' ' THR . . . . . . . . . . . . . 22.6 p -97.32 -19.28 18.63 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.193 0.442 . . . . 1.84 112.193 -176.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 73' ' ' GLN . . . . . 0.416 ' HA ' ' NE2' ' S' ' 73' ' ' GLN . 14.9 mm-40 66.36 18.31 10.85 Favored 'General case' 0 N--CA 1.466 0.35 0 O-C-N 123.447 0.467 . . . . 2.35 111.861 -177.782 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 74' ' ' LYS . . . . . . . . . . . . . 53.8 mtmt -97.86 151.31 20.36 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.038 -0.528 . . . . 2.77 109.952 172.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 75' ' ' SER . . . . . 0.574 ' HB2' ' HA ' ' S' ' 44' ' ' TYR . 40.6 m -60.36 136.08 57.93 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.245 -0.434 . . . . 1.51 111.909 -175.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 76' ' ' ARG . . . . . 0.513 ' HE ' ' HA ' ' S' ' 69' ' ' ASP . 95.5 mtt180 -77.49 -11.79 59.89 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.01 0.433 . . . . 2.54 110.612 179.759 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 77' ' ' GLY . . . . . 0.432 ' HA2' ' O ' ' S' ' 42' ' ' LEU . . . 107.41 13.03 21.93 Favored Glycine 0 N--CA 1.446 -0.666 0 C-N-CA 120.521 -0.847 . . . . 0.53 112.958 178.691 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 78' ' ' TYR . . . . . . . . . . . . . 43.1 p90 -152.91 161.77 42.14 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.721 0.296 . . . . 0.6 110.589 178.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 79' ' ' GLY . . . . . . . . . . . . . . . -146.17 165.91 28.11 Favored Glycine 0 N--CA 1.445 -0.757 0 N-CA-C 110.9 -0.88 . . . . 0.17 110.9 177.336 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 80' ' ' PHE . . . . . . . . . . . . . 60.2 m-85 -114.64 136.17 53.34 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 117.0 0.4 . . . . 0.39 110.656 178.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 81' ' ' VAL . . . . . . . . . . . . . 39.6 t -126.09 106.05 15.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.09 -0.505 . . . . 0.24 110.865 178.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 82' ' ' THR . . . . . 0.462 ' HA ' ' O ' ' S' ' 35' ' ' THR . 35.3 m -89.57 106.13 18.25 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 108.734 -0.839 . . . . 0.3 108.734 173.515 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 83' ' ' MET . . . . . 0.701 ' HG3' ' HA ' ' S' ' 89' ' ' ALA . 94.9 mmm -75.17 168.88 19.13 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.173 -0.467 . . . . 0.72 110.466 -177.348 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 84' ' ' LYS . . . . . 0.902 ' HB2' ' HB2' ' S' ' 60' ' ' ASP . 13.4 tttp -53.35 -53.5 50.12 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 123.706 0.629 . . . . 2.21 111.881 -179.236 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 85' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -147.47 -178.51 6.28 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.522 -0.763 . . . . 1.85 109.776 -177.371 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 86' ' ' ARG . . . . . 0.512 ' HD2' ' OD2' ' S' ' 31' ' ' ASP . 19.9 mtp180 -64.99 -34.75 79.17 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.011 -0.541 . . . . 3.96 111.723 -176.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 87' ' ' ALA . . . . . . . . . . . . . . . -71.46 -43.99 65.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.786 0.326 . . . . 0.62 110.368 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 88' ' ' SER . . . . . . . . . . . . . 29.4 m -60.54 -44.92 95.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.029 0.442 . . . . 0.88 110.075 175.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 89' ' ' ALA . . . . . 0.701 ' HA ' ' HG3' ' S' ' 83' ' ' MET . . . -56.63 -51.07 70.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.52 -0.764 . . . . 0.35 111.486 176.644 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 90' ' ' GLU . . . . . 0.494 ' O ' ' HG2' ' S' ' 94' ' ' LYS . 8.0 mm-40 -54.88 -44.38 74.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.54 -0.3 . . . . 1.85 111.579 178.744 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 91' ' ' ARG . . . . . . . . . . . . . 54.1 ttt180 -59.93 -33.57 72.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.676 0.274 . . . . 2.92 110.809 -178.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 92' ' ' ALA . . . . . . . . . . . . . . . -79.64 -22.74 43.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.346 -0.388 . . . . 0.47 111.105 178.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 93' ' ' CYS . . . . . . . . . . . . . 49.6 t -94.93 -2.26 50.89 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.261 -0.427 . . . . 1.35 111.141 -176.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 94' ' ' LYS . . . . . 0.494 ' HG2' ' O ' ' S' ' 90' ' ' GLU . 31.7 mmmt -67.24 -18.4 65.21 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 111.616 0.228 . . . . 2.95 111.616 179.473 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 95' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -118.65 118.63 33.34 Favored Pre-proline 0 C--N 1.326 -0.414 0 N-CA-C 109.756 -0.461 . . . . 2.13 109.756 176.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 96' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -80.41 -29.96 2.2 Favored 'Trans proline' 0 C--O 1.237 0.436 0 C-N-CA 122.613 2.209 . . . . 0.76 113.975 -173.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 97' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -129.27 80.88 71.54 Favored Pre-proline 0 N--CA 1.464 0.254 0 CA-C-O 120.759 0.314 . . . . 1.08 111.477 -174.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 98' ' ' PRO . . . . . . . . . . . . . 6.4 Cg_endo -89.22 158.83 5.66 Favored 'Trans proline' 0 N--CA 1.451 -0.979 0 C-N-CA 123.127 2.552 . . . . 0.53 112.256 178.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 99' ' ' ILE . . . . . . . . . . . . . 46.4 mm -97.52 115.84 38.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 109.921 -0.4 . . . . 0.51 109.921 175.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 100' ' ' ILE . . . . . . . . . . . . . 59.8 mt -121.59 119.02 57.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.576 -0.284 . . . . 0.57 110.29 -179.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 101' ' ' ASP . . . . . . . . . . . . . 28.6 t70 64.49 15.55 9.66 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-O 121.782 0.801 . . . . 1.4 110.971 175.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 102' ' ' GLY . . . . . . . . . . . . . . . 100.17 -2.92 56.67 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.845 -0.693 . . . . 0.82 112.708 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 103' ' ' ARG . . . . . . . . . . . . . 46.0 ttt180 -111.19 145.15 39.19 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.875 -0.417 . . . . 3.11 109.875 -179.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 104' ' ' LYS . . . . . . . . . . . . . 26.7 tttp -79.53 117.97 20.95 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.439 -0.578 . . . . 1.98 109.439 179.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 105' ' ' ALA . . . . . . . . . . . . . . . -101.33 165.5 11.24 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.608 0.718 . . . . 0.33 112.665 -170.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 106' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -121.08 108.7 14.14 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.79 -1.095 . . . . 1.99 109.769 177.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 107' ' ' VAL . . . . . . . . . . . . . 61.2 t -101.54 127.94 54.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 109.527 -0.546 . . . . 0.33 109.527 177.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 108' ' ' ASN . . . . . . . . . . . . . 61.8 t30 -156.53 152.23 27.07 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 110.411 -0.218 . . . . 1.76 110.411 -176.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 109' ' ' LEU . . . . . 0.446 HD13 ' HE2' ' S' ' 111' ' ' TYR . 98.1 mt -74.87 132.24 41.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.916 0.388 . . . . 0.57 110.273 178.801 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.29 -40.03 96.22 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 113.157 0.799 . . . . 0.66 113.157 -170.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 111' ' ' TYR . . . . . 0.446 ' HE2' HD13 ' S' ' 109' ' ' LEU . 28.0 p90 -66.44 -18.76 65.55 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 111.735 0.272 . . . . 1.25 111.735 -172.809 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 112' ' ' LEU . . . . . . . . . . . . . 95.7 mt -68.06 -53.1 28.15 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.786 0.327 . . . . 1.54 110.905 -178.309 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 113' ' ' GLY . . . . . . . . . . . . . . . 170.2 61.12 0.04 OUTLIER Glycine 0 N--CA 1.449 -0.488 0 N-CA-C 111.49 -0.644 . . . . 1.94 111.49 -178.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 114' ' ' ALA . . . . . . . . . . . . . . . -93.14 107.24 19.08 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.745 0.307 . . . . 1.62 110.811 -178.383 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 115' ' ' LYS . . . . . . . . . . . . . 63.7 mttm -92.22 112.24 54.19 Favored Pre-proline 0 C--N 1.327 -0.371 0 N-CA-C 109.195 -0.669 . . . . 5.27 109.195 175.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 116' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -79.05 8.58 3.73 Favored 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 123.135 2.557 . . . . 2.96 113.654 -175.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 117' ' ' ARG . . . . . . . . . . . . . 6.5 tpp180 -154.64 163.64 39.93 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.32 -0.622 . . . . 4.5 109.32 178.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 118' ' ' THR . . . . . . . . . . . . . 1.9 m -70.79 -29.88 66.2 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.171 0.51 . . . . 6.3 110.435 176.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 119' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -108.53 137.61 46.19 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.572 -0.74 . . . . 6.91 110.494 -178.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 120' ' ' VAL . . . . . . . . . . . . . 30.8 m -115.89 146.85 19.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.223 -0.444 . . . . 8.89 111.147 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 121' ' ' GLN . . . . . . . . . . . . . 98.5 mt-30 . . . . . 0 C--O 1.254 1.311 0 CA-C-O 118.084 -0.96 . . . . 11.5 109.791 -179.466 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' S' S ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.725 0 N-CA-C 112.557 -0.217 . . . . 11.03 112.557 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' S' S ' 26' ' ' ALA . . . . . . . . . . . . . . . -143.58 153.81 42.94 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 110.455 -0.202 . . . . 9.46 110.455 -179.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 27' ' ' MET . . . . . . . . . . . . . 1.3 mpt? 62.78 -174.95 0.15 Allowed 'General case' 0 N--CA 1.467 0.407 0 O-C-N 123.717 0.636 . . . . 9.91 111.31 -178.182 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 28' ' ' GLY . . . . . . . . . . . . . . . 160.87 121.3 0.58 Allowed Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.655 -0.783 . . . . 5.77 112.72 176.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 29' ' ' SER . . . . . . . . . . . . . 54.6 m -106.82 103.49 12.94 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.72 0.295 . . . . 4.45 110.421 178.056 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 30' ' ' ARG . . . . . . . . . . . . . 77.2 mtt180 -81.13 113.22 19.15 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.227 -0.442 . . . . 7.03 110.844 -179.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 31' ' ' ASP . . . . . . . . . . . . . 15.7 t0 -85.55 108.74 18.08 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.253 0.549 . . . . 3.39 110.463 174.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 32' ' ' THR . . . . . . . . . . . . . 6.3 p -129.86 20.14 5.51 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.439 -0.801 . . . . 1.26 109.524 175.085 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 27.1 ttt -83.21 -47.29 11.72 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.505 -0.77 . . . . 1.39 110.484 -175.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 34' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -103.43 11.42 36.52 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.06 -0.518 . . . . 0.97 111.528 -176.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 35' ' ' THR . . . . . 0.447 ' O ' ' HA ' ' S' ' 82' ' ' THR . 8.2 p -122.23 -10.33 8.53 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.908 0.385 . . . . 0.55 110.999 -177.093 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 36' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -100.05 117.65 34.77 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.015 -0.538 . . . . 1.95 110.818 -176.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 37' ' ' ILE . . . . . . . . . . . . . 65.8 mt -101.16 138.57 24.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.501 -0.772 . . . . 0.41 110.768 -179.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 38' ' ' PHE . . . . . . . . . . . . . 83.5 t80 -99.05 120.21 39.09 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.144 -0.687 . . . . 0.45 109.144 175.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 39' ' ' VAL . . . . . 0.42 HG11 HD11 ' S' ' 51' ' ' LEU . 38.4 t -118.42 103.54 14.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 116.409 -0.36 . . . . 0.2 110.472 -179.471 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 40' ' ' GLY . . . . . . . . . . . . . . . -108.89 152.3 17.02 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.442 -0.885 . . . . 0.27 112.286 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 41' ' ' GLY . . . . . . . . . . . . . . . 104.18 33.39 4.0 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.785 -0.721 . . . . 0.49 111.668 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 42' ' ' LEU . . . . . 0.576 ' O ' ' HA2' ' S' ' 77' ' ' GLY . 86.4 mt -106.32 131.94 21.31 Favored Pre-proline 0 C--N 1.327 -0.398 0 CA-C-O 120.687 0.279 . . . . 0.6 111.001 -177.567 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 43' ' ' PRO . . . . . 0.497 ' HB2' ' CD2' ' S' ' 45' ' ' HIS . 19.5 Cg_exo -67.51 173.63 8.55 Favored 'Trans proline' 0 CA--C 1.532 0.405 0 C-N-CA 122.681 2.254 . . . . 0.55 112.209 175.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 44' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -72.09 -23.77 61.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.173 -0.467 . . . . 2.41 111.26 -173.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 45' ' ' HIS . . . . . 0.497 ' CD2' ' HB2' ' S' ' 43' ' ' PRO . 22.5 p80 -84.15 -3.24 58.0 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.16 -0.473 . . . . 2.31 111.136 -177.655 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 46' ' ' THR . . . . . 0.451 ' OG1' ' HD2' ' S' ' 43' ' ' PRO . 65.1 m -89.47 109.8 20.69 Favored 'General case' 0 N--CA 1.443 -0.777 0 N-CA-C 109.442 -0.577 . . . . 0.53 109.442 -178.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 47' ' ' SER . . . . . 0.549 ' HB2' ' HG2' ' S' ' 49' ' ' LYS . 8.8 m -99.33 175.53 5.84 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 115.883 -0.599 . . . . 0.68 110.258 -175.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 48' ' ' ASP . . . . . 0.698 ' HB3' ' HA ' ' S' ' 65' ' ' VAL . 0.7 OUTLIER -53.13 -46.2 68.69 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.71 -0.677 . . . . 1.29 111.012 176.281 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' S' S ' 49' ' ' LYS . . . . . 0.549 ' HG2' ' HB2' ' S' ' 47' ' ' SER . 53.0 pttt -56.77 -35.25 68.46 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.165 -0.47 . . . . 2.5 111.847 176.575 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 50' ' ' THR . . . . . . . . . . . . . 14.6 m -71.69 -47.99 50.41 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.053 0.454 . . . . 0.43 110.1 -178.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 51' ' ' LEU . . . . . 0.42 HD11 HG11 ' S' ' 39' ' ' VAL . 20.1 tp -64.53 -36.7 85.07 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.065 -0.516 . . . . 0.46 109.908 177.533 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 52' ' ' HIS . . . . . . . . . . . . . 36.4 t-80 -61.98 -50.24 72.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.389 -0.823 . . . . 0.55 110.9 178.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 53' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -54.74 -47.81 73.36 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.83 0.348 . . . . 2.24 111.467 -179.183 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 54' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -63.57 -43.48 96.87 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.339 -0.391 . . . . 0.55 111.644 -176.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 55' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -84.96 -21.34 29.6 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.29 0.478 . . . . 0.5 112.29 -175.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 56' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -65.12 -15.32 62.27 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 121.419 0.628 . . . . 1.47 110.427 179.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 57' ' ' GLN . . . . . . . . . . . . . 42.0 tp60 -61.56 -36.5 80.8 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.742 -0.663 . . . . 2.98 110.667 172.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 58' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -91.26 -4.39 56.0 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.045 0.387 . . . . 0.65 112.045 -171.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 59' ' ' GLY . . . . . . . . . . . . . . . 150.15 -175.67 29.13 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.407 -0.901 . . . . 0.44 112.759 177.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 60' ' ' ASP . . . . . 0.628 ' HB2' ' HG2' ' S' ' 84' ' ' LYS . 9.4 m-20 -69.36 140.28 54.25 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 110.082 -0.34 . . . . 1.99 110.082 179.593 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 61' ' ' ILE . . . . . 0.607 HG21 ' HB2' ' S' ' 64' ' ' ALA . 65.8 mt -115.06 132.52 64.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 116.2 -0.455 . . . . 0.43 110.29 178.647 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 62' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -87.78 -48.23 8.0 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.105 -0.498 . . . . 1.91 110.639 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 63' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -142.11 116.41 9.53 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.268 -0.424 . . . . 1.81 110.207 -176.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 64' ' ' ALA . . . . . 0.607 ' HB2' HG21 ' S' ' 61' ' ' ILE . . . -135.08 110.63 9.16 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 110.212 -0.292 . . . . 0.38 110.212 -179.633 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 65' ' ' VAL . . . . . 0.698 ' HA ' ' HB3' ' S' ' 48' ' ' ASP . 21.0 m -142.51 138.03 28.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.338 -0.392 . . . . 0.36 111.076 -178.609 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 66' ' ' VAL . . . . . . . . . . . . . 96.4 t -90.31 119.47 37.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 N-CA-C 108.088 -1.078 . . . . 0.3 108.088 169.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 67' ' ' ILE . . . . . . . . . . . . . 48.8 mm -68.56 125.5 26.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-O 121.097 0.475 . . . . 0.47 111.949 -168.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 68' ' ' THR . . . . . . . . . . . . . 1.9 p -99.95 146.77 26.31 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 115.734 -0.667 . . . . 0.78 109.769 174.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 69' ' ' ASP . . . . . 0.464 ' O ' ' HA ' ' S' ' 73' ' ' GLN . 24.1 t70 -66.03 142.13 57.92 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.377 -0.374 . . . . 1.75 110.815 -179.605 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 70' ' ' ARG . . . . . . . . . . . . . 83.5 mtt180 -70.19 -25.4 63.41 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.545 -0.298 . . . . 4.02 111.399 -176.438 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 71' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -93.62 -56.46 2.9 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.029 0.442 . . . . 2.64 111.135 -174.103 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 72' ' ' THR . . . . . 0.441 ' HB ' ' HG2' ' S' ' 74' ' ' LYS . 42.7 p -91.83 -18.79 23.31 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.98 -0.554 . . . . 1.84 111.658 -175.573 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 73' ' ' GLN . . . . . 0.464 ' HA ' ' O ' ' S' ' 69' ' ' ASP . 10.6 mm100 63.64 23.58 13.6 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 115.968 -0.56 . . . . 2.35 111.805 -177.77 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 74' ' ' LYS . . . . . 0.441 ' HG2' ' HB ' ' S' ' 72' ' ' THR . 29.4 mmtp -92.21 160.55 15.11 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 108.806 -0.813 . . . . 2.77 108.806 175.056 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 75' ' ' SER . . . . . . . . . . . . . 35.9 t -67.33 144.05 56.06 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.847 0.356 . . . . 1.51 110.426 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 76' ' ' ARG . . . . . . . . . . . . . 88.8 mtt180 -96.7 5.78 49.99 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.954 0.406 . . . . 2.54 111.385 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 77' ' ' GLY . . . . . 0.576 ' HA2' ' O ' ' S' ' 42' ' ' LEU . . . 84.21 18.75 62.07 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.733 -0.746 . . . . 0.53 113.985 173.196 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 78' ' ' TYR . . . . . . . . . . . . . 43.1 p90 -159.29 161.25 35.86 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.937 0.399 . . . . 0.6 110.524 178.205 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 79' ' ' GLY . . . . . . . . . . . . . . . -142.72 165.07 26.94 Favored Glycine 0 N--CA 1.444 -0.795 0 CA-C-N 115.957 -0.565 . . . . 0.17 111.741 178.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 80' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -116.28 136.72 52.75 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 110.246 -0.279 . . . . 0.39 110.246 179.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 81' ' ' VAL . . . . . . . . . . . . . 41.6 t -125.63 112.22 30.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.048 -0.524 . . . . 0.24 110.475 179.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 82' ' ' THR . . . . . 0.447 ' HA ' ' O ' ' S' ' 35' ' ' THR . 11.9 m -99.66 113.36 25.76 Favored 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.142 -0.688 . . . . 0.3 109.142 176.413 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 83' ' ' MET . . . . . 0.607 ' HG3' ' HA ' ' S' ' 89' ' ' ALA . 94.2 mmm -85.09 165.28 17.61 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.503 -0.317 . . . . 0.72 110.949 -175.553 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 84' ' ' LYS . . . . . 0.628 ' HG2' ' HB2' ' S' ' 60' ' ' ASP . 0.0 OUTLIER -65.9 -22.43 66.51 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 115.931 -0.577 . . . . 2.21 111.653 -177.922 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' S' S ' 85' ' ' ASP . . . . . 0.415 ' HB3' ' HD3' ' S' ' 84' ' ' LYS . 0.3 OUTLIER -164.06 -178.44 5.6 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 110.241 -0.281 . . . . 1.85 110.241 178.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' S' S ' 86' ' ' ARG . . . . . . . . . . . . . 51.8 mtp180 -67.31 -41.66 84.99 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.142 -0.481 . . . . 3.96 112.138 -179.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.2 -41.82 98.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.868 0.366 . . . . 0.62 110.645 -175.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 88' ' ' SER . . . . . . . . . . . . . 18.3 m -63.96 -39.89 95.16 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.952 -0.567 . . . . 0.88 110.589 176.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 89' ' ' ALA . . . . . 0.607 ' HA ' ' HG3' ' S' ' 83' ' ' MET . . . -67.6 -47.79 68.67 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-N 116.277 -0.419 . . . . 0.35 111.311 -179.699 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 90' ' ' GLU . . . . . 0.61 ' HA ' ' SG ' ' S' ' 93' ' ' CYS . 62.9 mt-10 -63.15 -39.79 95.7 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.225 -0.443 . . . . 1.85 110.529 179.313 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 91' ' ' ARG . . . . . 0.406 ' HA ' ' HG3' ' S' ' 94' ' ' LYS . 34.1 ttm180 -58.11 -38.36 76.31 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-N 116.151 -0.477 . . . . 2.92 110.717 178.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 92' ' ' ALA . . . . . . . . . . . . . . . -72.54 -40.53 66.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.965 -0.561 . . . . 0.47 111.536 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 93' ' ' CYS . . . . . 0.61 ' SG ' ' HA ' ' S' ' 90' ' ' GLU . 18.4 p -91.1 14.2 14.76 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.958 0.355 . . . . 1.35 111.958 -176.532 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 94' ' ' LYS . . . . . 0.406 ' HG3' ' HA ' ' S' ' 91' ' ' ARG . 76.1 mttt -61.25 -15.49 35.35 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.724 0.297 . . . . 2.95 111.593 170.724 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 95' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -124.7 115.94 26.57 Favored Pre-proline 0 C--N 1.327 -0.388 0 N-CA-C 109.353 -0.61 . . . . 2.13 109.353 176.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 96' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo -69.95 -24.89 28.29 Favored 'Trans proline' 0 CA--C 1.531 0.347 0 C-N-CA 122.579 2.186 . . . . 0.76 113.392 -174.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 97' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -129.21 83.19 66.42 Favored Pre-proline 0 C--O 1.234 0.253 0 N-CA-C 111.435 0.161 . . . . 1.08 111.435 -176.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 98' ' ' PRO . . . . . 0.482 ' HG2' ' HB3' ' S' ' 105' ' ' ALA . 74.2 Cg_endo -77.61 139.56 18.14 Favored 'Trans proline' 0 N--CA 1.457 -0.662 0 C-N-CA 122.256 1.971 . . . . 0.53 111.653 174.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 99' ' ' ILE . . . . . . . . . . . . . 50.9 mm -92.52 97.63 7.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 120.888 0.375 . . . . 0.51 110.405 -179.259 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 100' ' ' ILE . . . . . . . . . . . . . 58.4 mt -111.5 122.95 66.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 N-CA-C 109.256 -0.646 . . . . 0.57 109.256 -179.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 101' ' ' ASP . . . . . . . . . . . . . 32.8 t70 64.41 14.58 8.93 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-O 121.937 0.875 . . . . 1.4 110.43 -175.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 102' ' ' GLY . . . . . . . . . . . . . . . 85.25 1.62 88.2 Favored Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.404 -0.903 . . . . 0.82 111.873 -176.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 103' ' ' ARG . . . . . . . . . . . . . 29.4 mmt180 -88.92 151.7 22.16 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-O 120.879 0.371 . . . . 3.11 110.026 178.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 104' ' ' LYS . . . . . 0.443 ' HE3' ' HB2' ' S' ' 104' ' ' LYS . 30.4 ttmt -92.98 94.55 8.96 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.178 -0.675 . . . . 1.98 109.178 178.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 105' ' ' ALA . . . . . 0.482 ' HB3' ' HG2' ' S' ' 98' ' ' PRO . . . -85.78 161.73 19.02 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.74 -0.663 . . . . 0.33 111.467 -173.578 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 106' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -119.26 114.17 21.99 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.598 -0.728 . . . . 1.99 109.359 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 107' ' ' VAL . . . . . . . . . . . . . 54.4 t -116.13 127.66 73.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-N 115.842 -0.617 . . . . 0.33 111.019 -177.125 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 108' ' ' ASN . . . . . . . . . . . . . 30.1 p-10 -156.32 165.51 36.15 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.756 -0.656 . . . . 1.76 109.804 177.326 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 109' ' ' LEU . . . . . . . . . . . . . 95.3 mt -71.7 131.22 42.84 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.56 -0.533 . . . . 0.57 109.56 175.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.95 -15.67 63.19 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 113.555 0.946 . . . . 0.66 113.555 -167.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 111' ' ' TYR . . . . . . . . . . . . . 29.4 p90 -73.55 -11.2 60.36 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.636 -0.426 . . . . 1.25 110.503 -179.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 112' ' ' LEU . . . . . . . . . . . . . 89.7 mt -76.29 -18.23 59.07 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.102 -0.499 . . . . 1.54 110.361 177.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 113' ' ' GLY . . . . . . . . . . . . . . . 122.11 110.52 2.09 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.665 -0.779 . . . . 1.94 112.351 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 114' ' ' ALA . . . . . . . . . . . . . . . -77.98 117.77 19.63 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.535 0.207 . . . . 1.62 110.723 178.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 115' ' ' LYS . . . . . . . . . . . . . 30.3 mmtp -108.49 97.83 24.99 Favored Pre-proline 0 C--N 1.326 -0.45 0 N-CA-C 109.743 -0.465 . . . . 5.27 109.743 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 116' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -84.84 128.69 3.88 Favored 'Trans proline' 0 N--CA 1.461 -0.408 0 C-N-CA 122.932 2.421 . . . . 2.96 114.316 -175.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 117' ' ' ARG . . . . . . . . . . . . . 88.3 mtm180 70.35 178.06 0.26 Allowed 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 115.056 -0.975 . . . . 4.5 112.762 171.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 118' ' ' THR . . . . . . . . . . . . . 1.4 p -82.81 140.76 32.77 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.433 -0.803 . . . . 6.3 111.621 -178.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 119' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -146.95 -38.15 0.21 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.926 -0.579 . . . . 6.91 109.687 178.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 120' ' ' VAL . . . . . . . . . . . . . 61.4 t -122.08 140.78 44.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.517 -0.765 . . . . 8.89 109.357 175.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 121' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 . . . . . 0 C--O 1.248 0.99 0 CA-C-O 118.66 -0.686 . . . . 11.5 110.385 -179.774 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' S' S ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.858 0 N-CA-C 112.538 -0.225 . . . . 11.03 112.538 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' S' S ' 26' ' ' ALA . . . . . . . . . . . . . . . -143.13 164.24 30.68 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.853 -0.425 . . . . 9.46 109.853 178.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 27' ' ' MET . . . . . . . . . . . . . 23.7 ptm -128.83 -173.6 3.02 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.656 -0.247 . . . . 9.91 110.44 -178.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 28' ' ' GLY . . . . . . . . . . . . . . . 124.63 -125.59 5.78 Favored Glycine 0 N--CA 1.447 -0.567 0 N-CA-C 111.205 -0.758 . . . . 5.77 111.205 -176.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 29' ' ' SER . . . . . . . . . . . . . 23.6 m 57.73 31.02 19.83 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 121.318 0.58 . . . . 4.45 111.267 178.097 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 30' ' ' ARG . . . . . . . . . . . . . 28.0 ttm180 -93.47 138.5 31.71 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.899 -0.592 . . . . 7.03 111.739 -176.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 31' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -68.41 95.74 0.63 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.103 -0.499 . . . . 3.39 109.86 169.442 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 32' ' ' THR . . . . . . . . . . . . . 1.8 p -70.87 -9.67 58.12 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.481 0.658 . . . . 1.26 110.278 176.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 23.5 ttt -55.08 -32.1 61.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 114.945 -1.025 . . . . 1.39 111.34 177.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 34' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -105.54 7.59 32.98 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 111.982 0.364 . . . . 0.97 111.982 -174.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 35' ' ' THR . . . . . 0.573 ' O ' ' HA ' ' S' ' 82' ' ' THR . 7.7 p -125.22 -4.98 7.31 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.951 0.405 . . . . 0.55 110.911 178.101 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 36' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -87.0 99.36 11.84 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.819 -0.628 . . . . 1.95 110.149 -179.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 37' ' ' ILE . . . . . . . . . . . . . 62.7 mt -89.98 135.01 27.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.623 -0.717 . . . . 0.41 110.595 -179.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 38' ' ' PHE . . . . . 0.442 ' HD1' ' CE1' ' S' ' 80' ' ' PHE . 72.8 t80 -102.73 106.32 16.92 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.593 -0.73 . . . . 0.45 109.202 176.323 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 39' ' ' VAL . . . . . . . . . . . . . 21.5 t -101.48 102.49 13.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 110.036 -0.357 . . . . 0.2 110.036 -179.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 40' ' ' GLY . . . . . 0.413 ' HA2' ' CB ' ' S' ' 78' ' ' TYR . . . -102.2 155.8 18.57 Favored Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.579 -0.82 . . . . 0.27 112.461 -176.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 41' ' ' GLY . . . . . . . . . . . . . . . 99.43 21.22 15.34 Favored Glycine 0 N--CA 1.453 -0.193 0 C-N-CA 120.763 -0.732 . . . . 0.49 112.154 178.569 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 42' ' ' LEU . . . . . 0.413 ' HA ' ' HD3' ' S' ' 43' ' ' PRO . 90.1 mt -91.82 134.72 28.5 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-O 120.866 0.365 . . . . 0.6 111.144 -176.521 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 43' ' ' PRO . . . . . 0.571 ' HG3' ' HG3' ' S' ' 103' ' ' ARG . 35.5 Cg_exo -62.04 163.29 19.97 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.873 2.382 . . . . 0.55 112.246 175.166 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 44' ' ' TYR . . . . . 0.418 ' HA ' ' HB3' ' S' ' 75' ' ' SER . 16.2 m-85 -69.95 -26.25 64.03 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.634 -0.712 . . . . 2.41 111.556 -172.628 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 45' ' ' HIS . . . . . . . . . . . . . 4.5 p80 -89.56 0.0 57.21 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.052 0.454 . . . . 2.31 110.667 -178.332 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 46' ' ' THR . . . . . 0.434 ' OG1' ' HD2' ' S' ' 43' ' ' PRO . 97.1 m -79.51 116.79 19.93 Favored 'General case' 0 N--CA 1.446 -0.633 0 N-CA-C 109.197 -0.668 . . . . 0.53 109.197 176.37 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 47' ' ' SER . . . . . . . . . . . . . 43.5 m -108.76 -177.48 3.32 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 116.167 -0.47 . . . . 0.68 111.168 -174.4 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 48' ' ' ASP . . . . . . . . . . . . . 21.3 p-10 -53.8 -52.12 61.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.744 -0.662 . . . . 1.29 110.401 177.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 49' ' ' LYS . . . . . . . . . . . . . 6.1 ptpp? -53.42 -41.09 65.69 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.17 -0.923 . . . . 2.5 111.737 178.009 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 50' ' ' THR . . . . . . . . . . . . . 2.9 m -63.47 -47.68 80.8 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-O 120.92 0.39 . . . . 0.43 110.495 -177.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 51' ' ' LEU . . . . . . . . . . . . . 15.8 tp -74.73 -35.87 62.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.018 -0.537 . . . . 0.46 110.923 -178.214 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 52' ' ' HIS . . . . . . . . . . . . . 52.8 t-80 -61.45 -49.73 75.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.398 -0.365 . . . . 0.55 110.298 177.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 53' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -57.95 -40.74 81.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.962 -0.563 . . . . 2.24 110.07 179.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 54' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -66.45 -42.49 87.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.82 -0.627 . . . . 0.55 111.096 -178.281 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 55' ' ' PHE . . . . . 0.417 ' CD1' HG11 ' S' ' 81' ' ' VAL . 6.2 m-85 -85.05 -20.31 30.61 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 112.655 0.613 . . . . 0.5 112.655 -174.723 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 56' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -61.87 -18.71 61.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.118 0.485 . . . . 1.47 110.283 176.072 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 57' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -71.18 -12.94 61.75 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.004 -0.544 . . . . 2.98 110.101 178.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 58' ' ' PHE . . . . . 0.448 ' O ' ' HD3' ' S' ' 91' ' ' ARG . 66.5 m-85 -106.68 1.95 25.47 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.956 -0.566 . . . . 0.65 111.003 -179.191 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 59' ' ' GLY . . . . . . . . . . . . . . . 134.38 -159.33 23.79 Favored Glycine 0 N--CA 1.446 -0.661 0 C-N-CA 120.32 -0.943 . . . . 0.44 113.03 177.371 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 60' ' ' ASP . . . . . 0.698 ' HB3' ' HD2' ' S' ' 84' ' ' LYS . 24.4 t70 -92.98 141.16 28.7 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.925 0.393 . . . . 1.99 110.733 -175.635 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 61' ' ' ILE . . . . . 0.418 HG12 ' SD ' ' S' ' 83' ' ' MET . 22.2 mt -121.54 148.89 24.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.938 -0.573 . . . . 0.43 110.788 -169.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 62' ' ' GLU . . . . . 0.527 ' HG3' ' HA ' ' S' ' 84' ' ' LYS . 31.8 mt-10 -81.28 -47.13 13.75 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 109.964 -0.384 . . . . 1.91 109.964 174.134 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 63' ' ' GLU . . . . . . . . . . . . . 77.1 tt0 -169.07 138.85 2.19 Favored 'General case' 0 C--N 1.334 -0.088 0 CA-C-N 116.419 -0.355 . . . . 1.81 110.449 175.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 64' ' ' ALA . . . . . 0.452 ' HB2' HG13 ' S' ' 81' ' ' VAL . . . -137.14 115.11 11.48 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 110.016 -0.364 . . . . 0.38 110.016 178.671 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 65' ' ' VAL . . . . . . . . . . . . . 27.8 m -138.9 138.71 41.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 121.084 0.469 . . . . 0.36 111.986 -176.173 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 66' ' ' VAL . . . . . . . . . . . . . 91.0 t -88.47 120.99 38.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 108.639 -0.874 . . . . 0.3 108.639 169.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 67' ' ' ILE . . . . . 0.459 ' HB ' ' HG3' ' S' ' 76' ' ' ARG . 50.6 mm -69.59 122.25 20.75 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.251 -0.431 . . . . 0.47 111.565 -172.019 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 68' ' ' THR . . . . . . . . . . . . . 20.0 p -111.13 145.73 38.08 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.602 -0.727 . . . . 0.78 110.325 176.147 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 69' ' ' ASP . . . . . 0.628 ' O ' ' HA ' ' S' ' 73' ' ' GLN . 56.8 m-20 -76.01 149.26 37.6 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.26 -0.427 . . . . 1.75 111.08 179.427 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 70' ' ' ARG . . . . . . . . . . . . . 91.2 mtt180 -80.51 -39.32 28.11 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.131 0.491 . . . . 4.02 110.539 178.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 71' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -82.78 -56.71 3.67 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.549 -0.75 . . . . 2.64 111.223 -176.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 72' ' ' THR . . . . . . . . . . . . . 1.5 p -89.09 -7.84 55.01 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.928 -0.578 . . . . 1.84 112.138 -176.028 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 73' ' ' GLN . . . . . 0.628 ' HA ' ' O ' ' S' ' 69' ' ' ASP . 18.8 pt20 45.39 33.59 1.31 Allowed 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.068 0.947 . . . . 2.35 112.235 -178.49 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 74' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -94.75 165.34 12.54 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.117 -0.492 . . . . 2.77 110.079 178.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 75' ' ' SER . . . . . 0.418 ' HB3' ' HA ' ' S' ' 44' ' ' TYR . 44.8 t -90.4 146.54 24.08 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.601 -0.518 . . . . 1.51 109.601 174.664 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 76' ' ' ARG . . . . . 0.459 ' HG3' ' HB ' ' S' ' 67' ' ' ILE . 5.3 mmp_? -76.21 -9.65 58.8 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.346 -0.388 . . . . 2.54 110.842 179.356 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 77' ' ' GLY . . . . . . . . . . . . . . . 80.55 20.47 66.25 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.642 -0.79 . . . . 0.53 111.63 -177.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 78' ' ' TYR . . . . . 0.419 ' CE1' ' HB3' ' S' ' 76' ' ' ARG . 11.9 p90 -165.31 163.62 19.95 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.396 -0.594 . . . . 0.6 109.396 178.122 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 79' ' ' GLY . . . . . . . . . . . . . . . -138.29 163.96 25.66 Favored Glycine 0 N--CA 1.443 -0.838 0 N-CA-C 111.204 -0.759 . . . . 0.17 111.204 177.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 80' ' ' PHE . . . . . 0.442 ' CE1' ' HD1' ' S' ' 38' ' ' PHE . 90.1 m-85 -113.2 134.82 54.39 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.858 -0.423 . . . . 0.39 109.858 178.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 81' ' ' VAL . . . . . 0.452 HG13 ' HB2' ' S' ' 64' ' ' ALA . 50.6 t -124.55 115.8 45.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 115.904 -0.589 . . . . 0.24 109.884 178.221 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 82' ' ' THR . . . . . 0.573 ' HA ' ' O ' ' S' ' 35' ' ' THR . 11.7 m -99.89 102.35 13.72 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 108.895 -0.78 . . . . 0.3 108.895 176.61 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 83' ' ' MET . . . . . 0.638 ' HG3' ' HA ' ' S' ' 89' ' ' ALA . 98.7 mmm -75.63 159.03 31.62 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.19 -0.459 . . . . 0.72 109.967 -179.436 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 84' ' ' LYS . . . . . 0.698 ' HD2' ' HB3' ' S' ' 60' ' ' ASP . 14.8 ptmt -59.19 -32.25 69.75 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.437 0.532 . . . . 2.21 112.437 -173.731 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 85' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -167.73 -173.04 2.03 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 109.729 -0.471 . . . . 1.85 109.729 178.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 86' ' ' ARG . . . . . . . . . . . . . 51.0 mmt-85 -63.1 -46.71 86.09 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.76 0.314 . . . . 3.96 110.975 -172.234 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.11 -48.99 77.29 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 115.947 -0.57 . . . . 0.62 112.033 -175.216 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 88' ' ' SER . . . . . . . . . . . . . 13.9 m -67.22 -39.7 86.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.949 0.404 . . . . 0.88 110.535 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 89' ' ' ALA . . . . . 0.638 ' HA ' ' HG3' ' S' ' 83' ' ' MET . . . -58.94 -46.01 89.05 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.816 -0.629 . . . . 0.35 110.917 177.406 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 90' ' ' GLU . . . . . 0.603 ' HB3' ' HE2' ' S' ' 94' ' ' LYS . 29.7 mt-10 -55.14 -49.01 72.87 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-N 116.539 -0.301 . . . . 1.85 111.192 177.524 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 91' ' ' ARG . . . . . 0.448 ' HD3' ' O ' ' S' ' 58' ' ' PHE . 78.1 ttt180 -56.7 -34.85 67.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.304 -0.407 . . . . 2.92 111.09 -177.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 92' ' ' ALA . . . . . . . . . . . . . . . -80.05 -20.5 45.1 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.963 -0.562 . . . . 0.47 111.411 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 93' ' ' CYS . . . . . . . . . . . . . 64.4 m -103.9 2.22 32.27 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 112.058 0.392 . . . . 1.35 112.058 -176.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 94' ' ' LYS . . . . . 0.603 ' HE2' ' HB3' ' S' ' 90' ' ' GLU . 73.3 mmtt -62.98 -33.49 75.51 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 120.657 0.265 . . . . 2.95 111.068 179.149 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 95' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -99.83 109.33 55.42 Favored Pre-proline 0 C--N 1.328 -0.353 0 N-CA-C 109.738 -0.467 . . . . 2.13 109.738 173.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 96' ' ' PRO . . . . . . . . . . . . . 47.8 Cg_endo -69.62 -39.86 6.26 Favored 'Trans proline' 0 C--O 1.234 0.292 0 C-N-CA 122.672 2.248 . . . . 0.76 113.261 -174.544 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 97' ' ' ASN . . . . . 0.451 ' HA ' ' O ' ' S' ' 105' ' ' ALA . 12.7 m120 -124.97 80.28 63.98 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 120.761 0.315 . . . . 1.08 111.029 -178.575 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 98' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -83.86 152.18 12.92 Favored 'Trans proline' 0 N--CA 1.454 -0.823 0 C-N-CA 122.836 2.358 . . . . 0.53 112.043 177.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 99' ' ' ILE . . . . . . . . . . . . . 49.1 mm -87.85 109.68 19.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 N-CA-C 109.794 -0.447 . . . . 0.51 109.794 177.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 100' ' ' ILE . . . . . . . . . . . . . 51.3 mt -116.88 120.27 64.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 109.642 -0.503 . . . . 0.57 109.642 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 101' ' ' ASP . . . . . 0.401 ' OD2' ' HG2' ' S' ' 43' ' ' PRO . 27.3 t70 64.93 15.68 10.07 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 121.967 0.889 . . . . 1.4 110.672 178.34 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 102' ' ' GLY . . . . . . . . . . . . . . . 93.98 4.18 63.39 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.75 -0.738 . . . . 0.82 112.683 -179.281 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 103' ' ' ARG . . . . . 0.571 ' HG3' ' HG3' ' S' ' 43' ' ' PRO . 2.9 mmp_? -111.59 151.95 28.16 Favored 'General case' 0 N--CA 1.448 -0.535 0 O-C-N 122.509 -0.406 . . . . 3.11 110.822 179.184 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 104' ' ' LYS . . . . . . . . . . . . . 13.7 ttmm -85.0 99.08 10.77 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.624 -0.51 . . . . 1.98 109.624 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 105' ' ' ALA . . . . . 0.456 ' C ' HD22 ' S' ' 106' ' ' ASN . . . -86.43 162.81 17.94 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.189 0.518 . . . . 0.33 111.3 -174.715 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 106' ' ' ASN . . . . . 0.456 HD22 ' C ' ' S' ' 105' ' ' ALA . 0.9 OUTLIER -119.13 113.13 20.43 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.706 -0.679 . . . . 1.99 109.488 178.589 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' S' S ' 107' ' ' VAL . . . . . . . . . . . . . 61.9 t -105.78 126.76 61.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 N-CA-C 109.666 -0.494 . . . . 0.33 109.666 179.159 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 108' ' ' ASN . . . . . . . . . . . . . 59.3 t30 -165.1 158.9 17.18 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.231 -0.441 . . . . 1.76 110.033 -178.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 109' ' ' LEU . . . . . 0.518 HD13 ' HE2' ' S' ' 111' ' ' TYR . 97.0 mt -76.43 134.53 39.56 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.66 0.267 . . . . 0.57 110.407 -179.717 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 110' ' ' ALA . . . . . . . . . . . . . . . -57.25 -36.71 71.29 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 113.244 0.831 . . . . 0.66 113.244 -171.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 111' ' ' TYR . . . . . 0.518 ' HE2' HD13 ' S' ' 109' ' ' LEU . 26.9 p90 -71.85 -7.55 49.03 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.833 0.349 . . . . 1.25 111.557 -175.648 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 112' ' ' LEU . . . . . . . . . . . . . 86.0 mt -90.72 -3.64 57.32 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.72 -0.218 . . . . 1.54 111.191 179.528 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 113' ' ' GLY . . . . . . . . . . . . . . . 137.75 65.32 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.465 -0.874 . . . . 1.94 113.155 176.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 114' ' ' ALA . . . . . . . . . . . . . . . -82.21 98.82 8.93 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.177 0.513 . . . . 1.62 110.648 176.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 115' ' ' LYS . . . . . . . . . . . . . 38.9 mmtm -118.12 118.15 34.56 Favored Pre-proline 0 C--N 1.321 -0.638 0 CA-C-N 115.979 -0.555 . . . . 5.27 110.633 179.195 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 116' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -85.04 -170.71 0.81 Allowed 'Trans proline' 0 N--CA 1.461 -0.434 0 C-N-CA 123.148 2.565 . . . . 2.96 113.358 -177.463 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.43 137.16 37.15 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.649 -0.705 . . . . 4.5 110.235 177.672 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 118' ' ' THR . . . . . . . . . . . . . 11.6 t -94.24 167.46 11.53 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.379 -0.373 . . . . 6.3 110.61 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 119' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -151.59 114.46 4.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.234 0.54 . . . . 6.91 110.097 -179.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 120' ' ' VAL . . . . . . . . . . . . . 24.8 m -141.41 169.36 14.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.946 -0.57 . . . . 8.89 111.124 -178.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 121' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 . . . . . 0 C--O 1.25 1.083 0 O-C-N 123.973 0.796 . . . . 11.5 111.084 179.717 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' S' S ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.746 0 N-CA-C 112.223 -0.351 . . . . 11.03 112.223 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' S' S ' 26' ' ' ALA . . . . . . . . . . . . . . . -141.68 114.74 8.68 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.967 -0.383 . . . . 9.46 109.967 176.174 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 27' ' ' MET . . . . . . . . . . . . . 23.7 ptp -150.14 166.21 30.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.071 0.462 . . . . 9.91 111.732 -174.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 28' ' ' GLY . . . . . . . . . . . . . . . -171.09 153.8 21.33 Favored Glycine 0 N--CA 1.448 -0.554 0 N-CA-C 110.933 -0.867 . . . . 5.77 110.933 178.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 29' ' ' SER . . . . . . . . . . . . . 14.2 m -80.35 66.6 5.91 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.018 0.437 . . . . 4.45 111.265 -177.182 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 30' ' ' ARG . . . . . . . . . . . . . 26.2 mmt180 -126.84 83.55 2.18 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.548 -0.538 . . . . 7.03 109.548 175.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 31' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -86.37 39.45 0.83 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.96 -0.564 . . . . 3.39 111.223 -177.318 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 32' ' ' THR . . . . . . . . . . . . . 8.4 p -62.08 -19.52 63.03 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.011 -0.54 . . . . 1.26 111.22 -179.379 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 33' ' ' MET . . . . . 0.467 ' HB2' ' HB2' ' S' ' 111' ' ' TYR . 20.4 ptt? -63.84 -17.67 63.37 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.135 -0.484 . . . . 1.39 111.623 179.579 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 34' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -103.42 -2.38 27.02 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 112.016 0.376 . . . . 0.97 112.016 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 35' ' ' THR . . . . . . . . . . . . . 11.8 p -127.13 -7.51 5.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.956 0.408 . . . . 0.55 111.389 -177.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 36' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -89.22 98.55 11.83 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.962 -0.563 . . . . 1.95 110.169 179.428 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 37' ' ' ILE . . . . . . . . . . . . . 65.5 mt -90.22 131.67 36.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.603 -0.726 . . . . 0.41 110.898 -177.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 38' ' ' PHE . . . . . . . . . . . . . 79.5 t80 -99.57 117.92 35.0 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.643 -0.708 . . . . 0.45 109.714 178.26 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 39' ' ' VAL . . . . . 0.451 HG21 HD11 ' S' ' 51' ' ' LEU . 19.5 t -110.1 98.67 7.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 116.199 -0.455 . . . . 0.2 109.781 179.098 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 40' ' ' GLY . . . . . . . . . . . . . . . -100.39 152.89 19.27 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.601 -0.809 . . . . 0.27 111.835 -179.068 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 41' ' ' GLY . . . . . . . . . . . . . . . 98.25 15.32 35.93 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.553 -0.832 . . . . 0.49 111.91 -179.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 42' ' ' LEU . . . . . 0.576 HD11 HD13 ' S' ' 51' ' ' LEU . 65.6 mt -77.73 133.65 66.17 Favored Pre-proline 0 C--N 1.327 -0.406 0 CA-C-O 120.514 0.197 . . . . 0.6 110.599 -179.607 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 43' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' S' ' 42' ' ' LEU . 52.2 Cg_exo -53.99 155.77 14.18 Favored 'Trans proline' 0 N--CA 1.462 -0.36 0 C-N-CA 122.834 2.356 . . . . 0.55 112.546 177.019 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 44' ' ' TYR . . . . . 0.866 ' HA ' ' HB3' ' S' ' 75' ' ' SER . 13.4 m-85 -79.43 2.06 23.19 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.636 -0.711 . . . . 2.41 111.436 -171.678 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 45' ' ' HIS . . . . . . . . . . . . . 4.3 p80 -117.49 4.88 12.44 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.109 0.481 . . . . 2.31 109.908 178.016 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 46' ' ' THR . . . . . 0.424 HG23 ' HB ' ' S' ' 50' ' ' THR . 91.0 m -77.82 126.43 30.85 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.953 -0.567 . . . . 0.53 110.882 -178.41 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 47' ' ' SER . . . . . 0.525 ' HB2' ' HG2' ' S' ' 49' ' ' LYS . 5.1 m -97.57 168.18 10.52 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.104 -0.498 . . . . 0.68 110.436 -178.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 48' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -55.62 -39.63 71.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.067 -0.515 . . . . 1.29 110.873 178.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 49' ' ' LYS . . . . . 0.525 ' HG2' ' HB2' ' S' ' 47' ' ' SER . 14.1 ptmt -60.21 -28.38 67.94 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.638 -0.71 . . . . 2.5 111.528 179.626 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 50' ' ' THR . . . . . 0.424 ' HB ' HG23 ' S' ' 46' ' ' THR . 15.1 m -77.8 -44.24 28.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.966 0.412 . . . . 0.43 110.132 -179.435 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 51' ' ' LEU . . . . . 0.576 HD13 HD11 ' S' ' 42' ' ' LEU . 36.4 tp -59.71 -41.93 91.92 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.586 0.708 . . . . 0.46 109.564 174.246 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 52' ' ' HIS . . . . . . . . . . . . . 30.7 t-80 -63.71 -45.35 90.35 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.06 -0.973 . . . . 0.55 110.925 176.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 53' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -46.81 -49.44 19.97 Favored 'General case' 0 N--CA 1.467 0.38 0 O-C-N 123.789 0.681 . . . . 2.24 111.619 179.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 54' ' ' TYR . . . . . . . . . . . . . 45.8 t80 -76.67 -40.88 47.59 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.224 -0.444 . . . . 0.55 111.838 -174.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 55' ' ' PHE . . . . . . . . . . . . . 41.4 m-85 -86.42 -22.73 26.38 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 114.355 1.243 . . . . 0.5 114.355 -169.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 56' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -65.23 -16.7 63.82 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-O 121.796 0.808 . . . . 1.47 109.666 179.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 57' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -60.58 -23.97 65.09 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.995 -1.002 . . . . 2.98 111.49 175.666 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 58' ' ' PHE . . . . . 0.419 ' HB3' ' HB2' ' S' ' 91' ' ' ARG . 54.5 m-85 -99.78 1.41 43.13 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.183 -0.462 . . . . 0.65 111.683 -175.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 59' ' ' GLY . . . . . . . . . . . . . . . 138.53 173.92 13.2 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.975 -0.631 . . . . 0.44 111.876 178.31 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 60' ' ' ASP . . . . . 0.408 ' HB2' ' CE ' ' S' ' 84' ' ' LYS . 26.1 m-20 -63.89 135.61 56.69 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 120.935 0.397 . . . . 1.99 110.482 178.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 61' ' ' ILE . . . . . 0.688 HG21 ' HB2' ' S' ' 64' ' ' ALA . 66.9 mt -107.07 134.6 48.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.707 -0.679 . . . . 0.43 110.438 -178.48 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 62' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -83.85 -40.39 18.71 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.619 0.247 . . . . 1.91 110.638 178.088 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 63' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -147.5 121.22 9.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.313 -0.403 . . . . 1.81 110.885 179.212 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 64' ' ' ALA . . . . . 0.688 ' HB2' HG21 ' S' ' 61' ' ' ILE . . . -139.59 100.82 4.07 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.482 -0.326 . . . . 0.38 110.283 175.758 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 65' ' ' VAL . . . . . . . . . . . . . 35.0 m -137.09 148.36 26.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.275 -0.42 . . . . 0.36 111.33 -177.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 66' ' ' VAL . . . . . . . . . . . . . 40.9 t -99.33 114.08 36.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 108.62 -0.881 . . . . 0.3 108.62 173.418 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 67' ' ' ILE . . . . . 0.4 HG22 ' HD3' ' S' ' 76' ' ' ARG . 34.4 mm -69.87 128.74 33.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.677 0.275 . . . . 0.47 110.681 -173.528 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 68' ' ' THR . . . . . . . . . . . . . 19.9 p -96.5 157.36 15.93 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 116.051 -0.522 . . . . 0.78 110.607 -179.328 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 69' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.63 151.89 30.32 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.745 -0.465 . . . . 1.75 109.745 178.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 70' ' ' ARG . . . . . . . . . . . . . 65.1 mtt180 -80.54 -6.59 58.46 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.41 0.522 . . . . 4.02 112.41 -174.353 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 71' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -92.51 -56.64 2.95 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.699 -0.228 . . . . 2.64 110.91 -177.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 72' ' ' THR . . . . . . . . . . . . . 33.8 p -112.35 -4.29 14.32 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.652 0.612 . . . . 1.84 112.652 -175.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 73' ' ' GLN . . . . . . . . . . . . . 75.1 mm-40 61.37 38.89 15.86 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.019 0.438 . . . . 2.35 111.246 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 74' ' ' LYS . . . . . . . . . . . . . 57.2 mttp -109.4 170.53 8.0 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.079 -0.51 . . . . 2.77 109.886 174.227 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 75' ' ' SER . . . . . 0.866 ' HB3' ' HA ' ' S' ' 44' ' ' TYR . 41.2 t -61.31 139.63 58.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.922 0.391 . . . . 1.51 111.358 -177.606 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 76' ' ' ARG . . . . . 0.4 ' HD3' HG22 ' S' ' 67' ' ' ILE . 24.3 mtp180 -88.81 7.5 33.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.807 -0.633 . . . . 2.54 110.496 175.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 77' ' ' GLY . . . . . . . . . . . . . . . 90.13 13.42 60.46 Favored Glycine 0 N--CA 1.45 -0.397 0 CA-C-N 115.9 -0.591 . . . . 0.53 113.18 173.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 78' ' ' TYR . . . . . . . . . . . . . 36.5 p90 -162.34 163.81 27.72 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.179 0.514 . . . . 0.6 111.378 179.3 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 79' ' ' GLY . . . . . . . . . . . . . . . -145.0 166.42 27.5 Favored Glycine 0 N--CA 1.443 -0.861 0 N-CA-C 111.086 -0.805 . . . . 0.17 111.086 177.187 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 80' ' ' PHE . . . . . 0.404 ' O ' ' HA ' ' S' ' 64' ' ' ALA . 77.9 m-85 -118.97 136.61 54.01 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 117.003 0.402 . . . . 0.39 110.686 -178.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 81' ' ' VAL . . . . . . . . . . . . . 21.5 t -124.4 118.43 53.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.229 -0.441 . . . . 0.24 110.444 178.385 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 82' ' ' THR . . . . . . . . . . . . . 11.9 m -105.76 115.01 29.51 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 109.533 -0.543 . . . . 0.3 109.533 177.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 83' ' ' MET . . . . . 0.424 ' SD ' HG12 ' S' ' 61' ' ' ILE . 92.7 mmm -90.37 173.74 7.95 Favored 'General case' 0 C--N 1.331 -0.201 0 O-C-N 123.706 0.628 . . . . 0.72 111.277 -175.688 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 84' ' ' LYS . . . . . 0.408 ' CE ' ' HB2' ' S' ' 60' ' ' ASP . 19.3 ptpt -70.36 -37.18 74.56 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.862 -0.608 . . . . 2.21 111.742 -176.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 85' ' ' ASP . . . . . . . . . . . . . 22.0 p30 -152.62 -176.61 5.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.44 -0.345 . . . . 1.85 110.89 -175.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 86' ' ' ARG . . . . . 0.696 HH12 HD11 ' S' ' 109' ' ' LEU . 28.0 tpt180 -65.32 -43.55 90.66 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.281 -0.418 . . . . 3.96 111.146 179.24 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 87' ' ' ALA . . . . . 0.406 ' O ' ' HG3' ' S' ' 91' ' ' ARG . . . -58.21 -48.27 80.89 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.856 0.36 . . . . 0.62 111.412 -176.054 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 88' ' ' SER . . . . . . . . . . . . . 6.3 p -63.7 -38.31 90.63 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.311 -0.404 . . . . 0.88 110.926 178.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.9 -44.57 96.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.032 -0.531 . . . . 0.35 110.835 177.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 90' ' ' GLU . . . . . 0.685 ' HA ' ' SG ' ' S' ' 93' ' ' CYS . 59.4 mt-10 -65.74 -33.93 77.02 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.254 -0.43 . . . . 1.85 110.853 -178.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 91' ' ' ARG . . . . . 0.437 HH11 ' HD2' ' S' ' 91' ' ' ARG . 69.7 mtt180 -60.56 -38.04 83.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.923 0.392 . . . . 2.92 110.529 175.379 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 92' ' ' ALA . . . . . . . . . . . . . . . -77.0 -41.91 40.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.871 -0.604 . . . . 0.47 111.395 -178.198 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 93' ' ' CYS . . . . . 0.685 ' SG ' ' HA ' ' S' ' 90' ' ' GLU . 29.0 p -88.35 12.05 15.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.926 0.393 . . . . 1.35 110.839 178.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 94' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -56.51 -47.85 78.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.685 -0.689 . . . . 2.95 109.652 175.724 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 95' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -111.49 113.15 53.75 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-N 115.797 -0.638 . . . . 2.13 109.87 -179.092 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 96' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -66.53 -28.34 45.5 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.936 2.424 . . . . 0.76 113.524 -173.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 97' ' ' ASN . . . . . 0.404 HD22 ' HA ' ' S' ' 97' ' ' ASN . 7.6 m120 -131.12 79.07 71.71 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 120.845 0.355 . . . . 1.08 111.501 -175.25 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 98' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -89.92 167.92 4.66 Favored 'Trans proline' 0 N--CA 1.453 -0.858 0 C-N-CA 122.791 2.327 . . . . 0.53 112.477 177.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 99' ' ' ILE . . . . . . . . . . . . . 50.8 mm -100.78 100.98 11.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.974 0.416 . . . . 0.51 110.084 179.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 100' ' ' ILE . . . . . . . . . . . . . 48.1 mt -109.84 123.55 65.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.094 -0.503 . . . . 0.57 109.856 -179.264 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 101' ' ' ASP . . . . . . . . . . . . . 30.2 t70 64.17 14.43 8.6 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 121.507 0.67 . . . . 1.4 110.897 178.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 102' ' ' GLY . . . . . . . . . . . . . . . 100.41 -4.55 56.89 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.829 -0.701 . . . . 0.82 113.131 177.464 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 103' ' ' ARG . . . . . . . . . . . . . 9.2 mmt180 -116.95 157.33 25.92 Favored 'General case' 0 N--CA 1.452 -0.368 0 O-C-N 122.63 -0.335 . . . . 3.11 110.54 179.195 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 104' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -87.43 122.81 31.66 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.659 0.266 . . . . 1.98 110.581 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 105' ' ' ALA . . . . . . . . . . . . . . . -105.99 165.44 11.21 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.081 -0.508 . . . . 0.33 111.282 -176.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 106' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -110.51 109.47 19.82 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.41 -0.589 . . . . 1.99 109.41 178.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 107' ' ' VAL . . . . . . . . . . . . . 53.7 t -102.59 126.74 56.71 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 N-CA-C 110.051 -0.351 . . . . 0.33 110.051 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 108' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -162.54 157.67 22.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 1.76 109.871 -176.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 109' ' ' LEU . . . . . 0.696 HD11 HH12 ' S' ' 86' ' ' ARG . 96.6 mt -73.59 133.37 43.49 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.74 -0.467 . . . . 0.57 109.74 176.544 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.74 -28.97 70.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.039 0.447 . . . . 0.66 110.858 179.166 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 111' ' ' TYR . . . . . 0.467 ' HB2' ' HB2' ' S' ' 33' ' ' MET . 0.0 OUTLIER -74.46 -13.25 60.68 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.657 -0.701 . . . . 1.25 111.234 -179.346 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' S' S ' 112' ' ' LEU . . . . . . . . . . . . . 81.2 mt -94.99 6.56 48.74 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.643 -0.253 . . . . 1.54 111.013 179.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 113' ' ' GLY . . . . . . . . . . . . . . . 109.45 84.98 1.62 Allowed Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.528 -0.844 . . . . 1.94 112.352 179.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 114' ' ' ALA . . . . . 0.407 ' O ' ' HD3' ' S' ' 116' ' ' PRO . . . -78.2 99.91 6.43 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.085 0.469 . . . . 1.62 111.169 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 115' ' ' LYS . . . . . 0.417 ' NZ ' ' HB2' ' S' ' 115' ' ' LYS . 0.2 OUTLIER -106.22 99.12 21.8 Favored Pre-proline 0 C--N 1.325 -0.457 0 N-CA-C 109.445 -0.576 . . . . 5.27 109.445 174.674 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' S' S ' 116' ' ' PRO . . . . . 0.407 ' HD3' ' O ' ' S' ' 114' ' ' ALA . 7.4 Cg_exo -72.68 -53.8 0.14 Allowed 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.755 2.303 . . . . 2.96 112.626 -177.645 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 117' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -146.46 11.67 1.15 Allowed 'General case' 0 C--N 1.315 -0.914 0 CA-C-N 115.458 -0.792 . . . . 4.5 110.196 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 118' ' ' THR . . . . . . . . . . . . . 11.9 p -87.12 -68.68 0.73 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.132 -0.485 . . . . 6.3 111.019 -177.365 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 119' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 60.69 -162.51 0.27 Allowed 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.889 -0.596 . . . . 6.91 110.652 -178.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 120' ' ' VAL . . . . . . . . . . . . . 41.3 t -92.26 -27.27 4.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.317 0.58 . . . . 8.89 110.17 178.141 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 121' ' ' GLN . . . . . . . . . . . . . 84.7 mm-40 . . . . . 0 C--O 1.245 0.818 0 CA-C-O 118.351 -0.833 . . . . 11.5 109.636 -179.397 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' S' S ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.587 0 N-CA-C 111.843 -0.503 . . . . 11.03 111.843 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' S' S ' 26' ' ' ALA . . . . . . . . . . . . . . . -129.19 130.73 46.71 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 110.03 -0.359 . . . . 9.46 110.03 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 27' ' ' MET . . . . . . . . . . . . . 23.8 ptp -151.01 -178.01 6.35 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.368 -0.378 . . . . 9.91 110.548 -178.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 28' ' ' GLY . . . . . . . . . . . . . . . 103.88 -105.36 2.62 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.854 -0.689 . . . . 5.77 111.46 -178.286 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 29' ' ' SER . . . . . . . . . . . . . 17.6 m 64.64 -177.41 0.17 Allowed 'General case' 0 CA--C 1.531 0.239 0 CA-C-O 121.123 0.487 . . . . 4.45 111.419 177.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 30' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -113.38 134.36 54.68 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.592 -0.522 . . . . 7.03 109.592 177.418 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 31' ' ' ASP . . . . . . . . . . . . . 52.3 t0 -69.43 101.26 1.53 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.474 0.654 . . . . 3.39 111.116 -179.003 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 32' ' ' THR . . . . . 0.467 ' HA ' ' OG1' ' S' ' 35' ' ' THR . 0.9 OUTLIER -115.76 14.57 16.37 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 114.889 -1.05 . . . . 1.26 108.987 172.851 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' S' S ' 33' ' ' MET . . . . . 0.422 ' HG3' ' HB2' ' S' ' 111' ' ' TYR . 55.8 ttm -84.99 -54.93 4.33 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.179 -0.919 . . . . 1.39 110.6 -179.526 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 34' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -93.37 4.7 53.55 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.041 -0.527 . . . . 0.97 111.4 -175.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 35' ' ' THR . . . . . 0.636 ' O ' ' HA ' ' S' ' 82' ' ' THR . 18.3 p -110.2 -11.02 14.62 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.319 -0.4 . . . . 0.55 110.452 -178.235 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 36' ' ' LYS . . . . . 0.436 ' HB2' ' O ' ' S' ' 32' ' ' THR . 79.0 tttt -94.17 103.42 15.46 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.617 -0.72 . . . . 1.95 111.068 -172.502 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 37' ' ' ILE . . . . . 0.565 HD11 ' HA ' ' S' ' 89' ' ' ALA . 72.3 mt -95.84 131.66 42.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.947 -0.57 . . . . 0.41 110.371 177.698 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 38' ' ' PHE . . . . . 0.463 ' HD1' ' CE1' ' S' ' 80' ' ' PHE . 92.6 t80 -98.52 123.76 42.87 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.374 -0.602 . . . . 0.45 109.374 176.558 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 39' ' ' VAL . . . . . . . . . . . . . 21.7 t -121.67 104.08 14.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.442 -0.345 . . . . 0.2 110.333 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 40' ' ' GLY . . . . . . . . . . . . . . . -114.85 165.21 12.05 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.914 -0.66 . . . . 0.27 112.073 -178.062 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 41' ' ' GLY . . . . . . . . . . . . . . . 94.37 25.78 15.39 Favored Glycine 0 C--O 1.229 -0.182 0 C-N-CA 121.047 -0.597 . . . . 0.49 111.999 178.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 42' ' ' LEU . . . . . 0.591 HD13 HG21 ' S' ' 46' ' ' THR . 69.7 mt -99.83 146.79 32.48 Favored Pre-proline 0 C--N 1.322 -0.602 0 CA-C-O 120.574 0.226 . . . . 0.6 110.687 -177.003 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 43' ' ' PRO . . . . . 0.491 ' HG3' ' HG3' ' S' ' 103' ' ' ARG . 17.2 Cg_exo -67.98 165.97 26.34 Favored 'Trans proline' 0 N--CA 1.462 -0.335 0 C-N-CA 122.444 2.096 . . . . 0.55 111.571 172.398 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 44' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -66.49 -16.36 64.07 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 121.373 0.606 . . . . 2.41 111.213 -178.353 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 45' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -84.94 -6.46 59.34 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.508 -0.769 . . . . 2.31 110.791 -174.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 46' ' ' THR . . . . . 0.591 HG21 HD13 ' S' ' 42' ' ' LEU . 6.5 m -75.63 110.39 9.99 Favored 'General case' 0 N--CA 1.443 -0.79 0 N-CA-C 109.584 -0.524 . . . . 0.53 109.584 -176.454 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 47' ' ' SER . . . . . . . . . . . . . 15.7 m -89.9 166.55 13.43 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.072 0.463 . . . . 0.68 110.754 -178.163 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 48' ' ' ASP . . . . . 0.424 ' CB ' ' HA ' ' S' ' 65' ' ' VAL . 30.1 p-10 -59.89 -43.71 94.64 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.874 -0.603 . . . . 1.29 110.809 178.791 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 49' ' ' LYS . . . . . . . . . . . . . 54.1 pttt -61.97 -31.96 72.36 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.711 -0.677 . . . . 2.5 111.229 176.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 50' ' ' THR . . . . . . . . . . . . . 7.8 m -68.17 -46.78 69.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.084 0.469 . . . . 0.43 110.239 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 51' ' ' LEU . . . . . 0.447 HD22 ' HA3' ' S' ' 79' ' ' GLY . 34.7 tp -59.38 -42.95 92.85 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.468 -0.787 . . . . 0.46 109.941 176.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 52' ' ' HIS . . . . . 0.471 ' CD2' HD12 ' S' ' 61' ' ' ILE . 58.5 t-80 -61.85 -46.73 88.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.558 -0.746 . . . . 0.55 110.629 177.431 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 53' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -54.02 -38.04 64.72 Favored 'General case' 0 CA--C 1.532 0.285 0 C-N-CA 122.761 0.424 . . . . 2.24 111.464 -177.168 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 54' ' ' TYR . . . . . . . . . . . . . 41.3 t80 -77.25 -41.58 40.52 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.98 0.419 . . . . 0.55 111.52 -177.309 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 55' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -85.03 -20.15 30.88 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.33 0.493 . . . . 0.5 112.33 -174.202 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 56' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -57.04 -23.54 47.24 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.435 0.636 . . . . 1.47 110.228 178.396 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 57' ' ' GLN . . . . . . . . . . . . . 19.3 tp60 -55.64 -34.24 64.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.141 -0.936 . . . . 2.98 111.541 174.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 58' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -93.24 -6.37 47.77 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 112.093 0.405 . . . . 0.65 112.093 -172.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 59' ' ' GLY . . . . . . . . . . . . . . . 141.71 -168.63 25.5 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.444 -0.884 . . . . 0.44 112.997 177.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 60' ' ' ASP . . . . . 0.712 ' HB2' ' HD2' ' S' ' 84' ' ' LYS . 10.1 m-20 -72.14 143.32 49.0 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 120.9 0.381 . . . . 1.99 110.786 -178.17 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 61' ' ' ILE . . . . . 0.779 HG21 ' HB2' ' S' ' 64' ' ' ALA . 61.6 mt -119.8 125.34 74.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.936 -0.575 . . . . 0.43 110.498 -178.094 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 62' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -81.03 -31.51 34.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 1.91 110.96 -178.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 63' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -155.11 116.99 4.12 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.034 -0.53 . . . . 1.81 110.062 -177.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 64' ' ' ALA . . . . . 0.779 ' HB2' HG21 ' S' ' 61' ' ' ILE . . . -139.39 100.9 4.11 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-O 120.733 0.301 . . . . 0.38 110.355 177.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 65' ' ' VAL . . . . . 0.424 ' HA ' ' CB ' ' S' ' 48' ' ' ASP . 21.6 m -140.27 142.26 31.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 120.808 0.337 . . . . 0.36 111.082 -177.449 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 66' ' ' VAL . . . . . . . . . . . . . 91.7 t -90.12 118.06 34.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 N-CA-C 108.337 -0.986 . . . . 0.3 108.337 171.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 67' ' ' ILE . . . . . 0.451 HG22 ' HD3' ' S' ' 76' ' ' ARG . 46.8 mm -68.83 123.95 23.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.25 -0.432 . . . . 0.47 111.466 -171.232 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 68' ' ' THR . . . . . . . . . . . . . 7.7 p -93.34 146.94 23.36 Favored 'General case' 0 N--CA 1.446 -0.655 0 CA-C-N 115.627 -0.715 . . . . 0.78 109.88 176.322 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 69' ' ' ASP . . . . . 0.539 ' O ' ' HA ' ' S' ' 73' ' ' GLN . 18.2 t70 -65.52 149.72 49.58 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.238 -0.437 . . . . 1.75 110.802 -179.589 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 70' ' ' ARG . . . . . . . . . . . . . 57.5 mtp180 -78.92 -29.76 44.38 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.345 -0.389 . . . . 4.02 111.058 -175.198 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 71' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -86.34 -56.24 3.53 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.369 -0.378 . . . . 2.64 111.536 -179.104 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 72' ' ' THR . . . . . . . . . . . . . 61.5 p -86.1 -24.16 26.39 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.189 -0.46 . . . . 1.84 111.937 -175.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 73' ' ' GLN . . . . . 0.869 ' HA ' HE21 ' S' ' 73' ' ' GLN . 0.0 OUTLIER 66.17 19.38 11.1 Favored 'General case' 0 N--CA 1.465 0.318 0 O-C-N 123.573 0.546 . . . . 2.35 111.166 -176.394 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' S' S ' 74' ' ' LYS . . . . . . . . . . . . . 28.8 mtpp -94.66 162.73 13.66 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.038 -0.528 . . . . 2.77 109.786 177.275 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 75' ' ' SER . . . . . . . . . . . . . 47.8 t -63.42 137.97 58.35 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.86 0.362 . . . . 1.51 110.679 -179.647 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 76' ' ' ARG . . . . . 0.451 ' HD3' HG22 ' S' ' 67' ' ' ILE . 32.8 mtp85 -93.48 3.17 55.99 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.262 -0.427 . . . . 2.54 111.287 -178.321 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 77' ' ' GLY . . . . . . . . . . . . . . . 87.14 20.32 53.14 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.592 -0.813 . . . . 0.53 114.077 172.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 78' ' ' TYR . . . . . . . . . . . . . 39.0 p90 -166.27 159.37 14.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 117.144 0.472 . . . . 0.6 110.455 178.506 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 79' ' ' GLY . . . . . 0.447 ' HA3' HD22 ' S' ' 51' ' ' LEU . . . -140.64 165.43 26.13 Favored Glycine 0 N--CA 1.447 -0.628 0 N-CA-C 111.411 -0.676 . . . . 0.17 111.411 179.301 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 80' ' ' PHE . . . . . 0.463 ' CE1' ' HD1' ' S' ' 38' ' ' PHE . 96.6 m-85 -113.78 137.56 51.47 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 110.118 -0.327 . . . . 0.39 110.118 177.662 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 81' ' ' VAL . . . . . . . . . . . . . 37.4 t -121.47 112.73 36.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.182 -0.463 . . . . 0.24 110.262 178.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 82' ' ' THR . . . . . 0.636 ' HA ' ' O ' ' S' ' 35' ' ' THR . 23.2 m -102.39 107.11 18.01 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 109.295 -0.631 . . . . 0.3 109.295 176.307 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 83' ' ' MET . . . . . 0.494 ' SD ' HG12 ' S' ' 61' ' ' ILE . 92.4 mmm -79.81 159.11 26.63 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 110.104 -0.332 . . . . 0.72 110.104 -178.04 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 84' ' ' LYS . . . . . 0.712 ' HD2' ' HB2' ' S' ' 60' ' ' ASP . 9.8 ptmm? -66.7 -28.66 68.62 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 121.086 0.47 . . . . 2.21 110.475 -179.734 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 85' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -135.46 153.86 51.62 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 116.061 -0.518 . . . . 1.85 111.186 -178.036 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 86' ' ' ARG . . . . . . . . . . . . . 82.3 mtm180 -67.2 -27.33 67.17 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.295 -0.866 . . . . 3.96 110.171 178.166 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 87' ' ' ALA . . . . . 0.518 ' O ' ' HG3' ' S' ' 90' ' ' GLU . . . -66.74 -40.08 88.19 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.146 -0.479 . . . . 0.62 110.748 177.203 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 88' ' ' SER . . . . . . . . . . . . . 15.3 m -67.74 -33.45 74.88 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-O 121.225 0.536 . . . . 0.88 110.196 177.291 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 89' ' ' ALA . . . . . 0.565 ' HA ' HD11 ' S' ' 37' ' ' ILE . . . -65.31 -46.91 78.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.506 -0.77 . . . . 0.35 111.182 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 90' ' ' GLU . . . . . 0.613 ' O ' ' HG2' ' S' ' 94' ' ' LYS . 2.6 pp20? -66.98 -30.55 70.69 Favored 'General case' 0 C--N 1.332 -0.195 0 C-N-CA 120.739 -0.384 . . . . 1.85 111.033 -179.022 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 91' ' ' ARG . . . . . 0.508 ' HG3' ' O ' ' S' ' 87' ' ' ALA . 99.3 mtt180 -57.03 -50.78 71.67 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 121.005 0.431 . . . . 2.92 110.591 175.411 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.13 -28.88 66.85 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.864 -0.607 . . . . 0.47 111.008 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 93' ' ' CYS . . . . . . . . . . . . . 49.8 t -80.52 -9.68 59.76 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.081 -0.509 . . . . 1.35 111.438 -177.059 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 94' ' ' LYS . . . . . 0.613 ' HG2' ' O ' ' S' ' 90' ' ' GLU . 28.6 mmtp -74.29 -9.86 59.02 Favored 'General case' 0 C--N 1.33 -0.261 0 O-C-N 122.258 -0.276 . . . . 2.95 111.555 178.404 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 95' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -120.97 89.26 45.75 Favored Pre-proline 0 C--N 1.327 -0.404 0 N-CA-C 108.667 -0.864 . . . . 2.13 108.667 172.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 96' ' ' PRO . . . . . 0.418 ' C ' HD22 ' S' ' 97' ' ' ASN . 19.1 Cg_exo -67.84 -29.83 34.47 Favored 'Trans proline' 0 C--O 1.234 0.276 0 C-N-CA 122.997 2.465 . . . . 0.76 113.709 -171.025 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 97' ' ' ASN . . . . . 0.418 HD22 ' C ' ' S' ' 96' ' ' PRO . 0.8 OUTLIER -128.78 77.18 78.04 Favored Pre-proline 0 N--CA 1.467 0.404 0 CA-C-O 120.556 0.217 . . . . 1.08 110.963 -178.266 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' S' S ' 98' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -84.91 151.86 11.2 Favored 'Trans proline' 0 N--CA 1.455 -0.782 0 C-N-CA 123.198 2.599 . . . . 0.53 112.095 178.476 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 99' ' ' ILE . . . . . . . . . . . . . 48.9 mm -93.31 108.32 20.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 116.012 -0.54 . . . . 0.51 110.544 178.14 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 100' ' ' ILE . . . . . . . . . . . . . 62.7 mt -116.82 122.85 70.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.51 -0.768 . . . . 0.57 109.473 179.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 101' ' ' ASP . . . . . . . . . . . . . 38.5 t70 65.67 15.47 10.06 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 121.913 0.863 . . . . 1.4 110.358 -178.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 102' ' ' GLY . . . . . . . . . . . . . . . 89.72 -0.81 80.41 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.75 -0.738 . . . . 0.82 111.55 -177.29 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 103' ' ' ARG . . . . . 0.491 ' HG3' ' HG3' ' S' ' 43' ' ' PRO . 35.4 mmt180 -103.18 151.84 22.15 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-O 120.801 0.334 . . . . 3.11 110.794 -179.468 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 104' ' ' LYS . . . . . 0.403 ' HE3' ' HB2' ' S' ' 104' ' ' LYS . 35.5 ttmt -89.51 108.82 19.88 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.239 -0.437 . . . . 1.98 110.172 -178.604 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 105' ' ' ALA . . . . . . . . . . . . . . . -94.44 157.62 15.92 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.235 -0.439 . . . . 0.33 111.113 -177.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 106' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -111.23 110.06 20.37 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.906 -0.588 . . . . 1.99 109.66 178.304 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 107' ' ' VAL . . . . . . . . . . . . . 75.2 t -109.7 127.08 66.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 120.958 0.409 . . . . 0.33 110.669 -178.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 108' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -163.97 151.74 12.6 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.786 -0.643 . . . . 1.76 109.903 -179.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 109' ' ' LEU . . . . . . . . . . . . . 94.8 mt -65.77 129.94 41.53 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.439 -0.578 . . . . 0.57 109.439 175.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.28 -24.27 67.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.021 0.439 . . . . 0.66 111.189 -176.215 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 111' ' ' TYR . . . . . 0.422 ' HB2' ' HG3' ' S' ' 33' ' ' MET . 0.0 OUTLIER -73.39 -16.28 61.34 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.762 -0.654 . . . . 1.25 110.986 179.653 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' S' S ' 112' ' ' LEU . . . . . . . . . . . . . 85.6 mt -92.54 2.97 56.39 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.336 -0.393 . . . . 1.54 110.472 177.05 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 113' ' ' GLY . . . . . . . . . . . . . . . 123.65 100.9 1.46 Allowed Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.532 -0.842 . . . . 1.94 112.537 178.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 114' ' ' ALA . . . . . . . . . . . . . . . -100.1 112.55 24.85 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.767 0.317 . . . . 1.62 110.464 178.117 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 115' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -113.33 98.19 45.58 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 116.323 -0.399 . . . . 5.27 110.729 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 116' ' ' PRO . . . . . . . . . . . . . 8.5 Cg_exo -72.58 -72.74 0.02 OUTLIER 'Trans proline' 0 N--CA 1.462 -0.355 0 C-N-CA 122.866 2.378 . . . . 2.96 111.924 177.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 117' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -171.15 134.3 0.91 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.226 -0.897 . . . . 4.5 110.025 179.088 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 118' ' ' THR . . . . . . . . . . . . . 21.5 p -137.88 147.19 44.21 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.54 -0.3 . . . . 6.3 110.271 177.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 119' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -92.06 137.4 32.39 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.406 -0.59 . . . . 6.91 109.406 175.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 120' ' ' VAL . . . . . . . . . . . . . 27.7 m -65.92 -32.46 58.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 N-CA-C 108.941 -0.762 . . . . 8.89 108.941 171.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 121' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 . . . . . 0 C--O 1.245 0.863 0 CA-C-N 114.822 -1.081 . . . . 11.5 108.93 171.882 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' S' S ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.628 0 N-CA-C 112.292 -0.323 . . . . 11.03 112.292 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' S' S ' 26' ' ' ALA . . . . . . . . . . . . . . . 59.78 86.43 0.09 Allowed 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 123.22 0.608 . . . . 9.46 111.972 177.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 27' ' ' MET . . . . . . . . . . . . . 44.5 tpp -100.11 123.64 44.58 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.267 -0.424 . . . . 9.91 110.639 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 28' ' ' GLY . . . . . . . . . . . . . . . 138.31 -56.96 0.65 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 121.061 -0.59 . . . . 5.77 112.37 178.561 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 29' ' ' SER . . . . . . . . . . . . . 21.1 m 70.3 166.66 0.29 Allowed 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.086 0.554 . . . . 4.45 111.324 -178.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 30' ' ' ARG . . . . . 0.401 ' HD2' ' N ' ' S' ' 30' ' ' ARG . 4.3 mpt_? -108.19 105.31 14.98 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.83 -0.433 . . . . 7.03 109.83 176.713 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' S' S ' 31' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -67.19 -27.5 67.32 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.642 -0.708 . . . . 3.39 110.455 -177.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 32' ' ' THR . . . . . 0.571 ' HA ' ' OG1' ' S' ' 35' ' ' THR . 25.1 p -73.22 -0.16 13.54 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 113.29 0.848 . . . . 1.26 113.29 -172.656 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' S' S ' 33' ' ' MET . . . . . . . . . . . . . 25.6 ttt -64.67 -37.14 86.56 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.121 0.486 . . . . 1.39 110.745 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 34' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -108.67 14.45 24.44 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.991 -0.549 . . . . 0.97 111.65 -175.023 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 35' ' ' THR . . . . . 0.571 ' OG1' ' HA ' ' S' ' 32' ' ' THR . 74.9 p -123.78 -3.43 8.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.876 0.37 . . . . 0.55 110.779 -179.695 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' S' S ' 36' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -91.93 103.1 15.66 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.612 0.72 . . . . 1.95 110.472 -178.491 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 37' ' ' ILE . . . . . 0.639 HD11 ' HA ' ' S' ' 89' ' ' ALA . 63.2 mt -96.17 142.44 13.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 114.987 -1.006 . . . . 0.41 111.0 -176.66 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' S' S ' 38' ' ' PHE . . . . . . . . . . . . . 54.7 t80 -104.91 133.28 49.97 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.875 -0.602 . . . . 0.45 109.616 173.275 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 39' ' ' VAL . . . . . . . . . . . . . 20.7 t -126.33 103.05 10.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.382 -0.372 . . . . 0.2 110.03 178.186 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 40' ' ' GLY . . . . . . . . . . . . . . . -113.79 152.82 17.91 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.471 -0.871 . . . . 0.27 112.002 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 41' ' ' GLY . . . . . . . . . . . . . . . 99.31 38.62 3.71 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.651 -0.785 . . . . 0.49 111.66 -179.12 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 42' ' ' LEU . . . . . 0.501 ' O ' ' HA2' ' S' ' 77' ' ' GLY . 57.8 mt -104.14 144.64 29.11 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-N 115.494 -0.353 . . . . 0.6 110.289 -178.104 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' S' S ' 43' ' ' PRO . . . . . 0.487 ' HD2' ' OG1' ' S' ' 46' ' ' THR . 18.4 Cg_exo -66.85 167.39 19.68 Favored 'Trans proline' 0 N--CA 1.46 -0.491 0 C-N-CA 122.292 1.994 . . . . 0.55 111.612 173.125 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' S' S ' 44' ' ' TYR . . . . . 0.824 ' HA ' ' HB3' ' S' ' 75' ' ' SER . 6.5 m-85 -73.06 -9.88 59.2 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.01 -0.541 . . . . 2.41 110.748 -175.337 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' S' S ' 45' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -89.66 -10.59 45.26 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.668 -0.696 . . . . 2.31 109.379 -178.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 46' ' ' THR . . . . . 0.558 HG22 HG21 ' S' ' 66' ' ' VAL . 91.1 m -85.35 110.15 18.91 Favored 'General case' 0 N--CA 1.437 -1.105 0 CA-C-N 115.464 -0.789 . . . . 0.53 109.655 -178.408 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' S' S ' 47' ' ' SER . . . . . . . . . . . . . 43.2 m -109.72 -175.05 2.64 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.835 -0.62 . . . . 0.68 110.575 -178.242 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 48' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -49.33 -49.49 43.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.834 -0.621 . . . . 1.29 111.216 176.012 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' S' S ' 49' ' ' LYS . . . . . 0.409 ' HG3' ' N ' ' S' ' 50' ' ' THR . 0.7 OUTLIER -58.38 -36.85 74.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.326 -0.397 . . . . 2.5 111.3 179.496 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' S' S ' 50' ' ' THR . . . . . 0.409 ' N ' ' HG3' ' S' ' 49' ' ' LYS . 4.6 m -69.71 -46.14 66.64 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 120.732 0.301 . . . . 0.43 110.809 -175.473 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' S' S ' 51' ' ' LEU . . . . . . . . . . . . . 12.5 tp -65.49 -40.09 92.68 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-O 120.936 0.398 . . . . 0.46 110.321 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 52' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -64.33 -46.2 84.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.55 110.303 177.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 53' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -51.4 -43.24 61.89 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 115.382 -0.826 . . . . 2.24 111.622 -178.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 54' ' ' TYR . . . . . . . . . . . . . 43.4 t80 -76.29 -41.44 48.69 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.966 -0.561 . . . . 0.55 111.604 -175.452 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 55' ' ' PHE . . . . . . . . . . . . . 39.0 m-85 -85.57 -20.79 29.04 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 113.033 0.753 . . . . 0.5 113.033 -172.044 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 56' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -60.57 -21.11 62.22 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 121.138 0.494 . . . . 1.47 111.001 -179.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 57' ' ' GLN . . . . . . . . . . . . . 19.8 tp60 -60.59 -36.94 79.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.048 0.452 . . . . 2.98 110.812 175.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 58' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -81.91 -16.56 50.17 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.435 -0.348 . . . . 0.65 111.329 -174.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 59' ' ' GLY . . . . . . . . . . . . . . . 156.71 178.39 30.76 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.422 -0.894 . . . . 0.44 112.724 178.327 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 60' ' ' ASP . . . . . 0.449 ' HB3' ' HD3' ' S' ' 84' ' ' LYS . 26.0 t70 -71.19 147.75 48.0 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-O 120.877 0.37 . . . . 1.99 110.496 178.283 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' S' S ' 61' ' ' ILE . . . . . 0.637 HG21 ' HB2' ' S' ' 64' ' ' ALA . 51.6 mt -122.93 139.21 50.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.801 -0.636 . . . . 0.43 111.288 -169.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' S' S ' 62' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -88.41 -48.57 7.53 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.072 0.463 . . . . 1.91 110.624 174.548 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 63' ' ' GLU . . . . . 0.487 ' O ' ' HA ' ' S' ' 81' ' ' VAL . 3.4 tp10 -128.91 124.89 36.34 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.882 -0.599 . . . . 1.81 109.938 -176.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' S' S ' 64' ' ' ALA . . . . . 0.637 ' HB2' HG21 ' S' ' 61' ' ' ILE . . . -149.95 99.5 2.84 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 120.783 0.325 . . . . 0.38 110.493 176.387 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' S' S ' 65' ' ' VAL . . . . . . . . . . . . . 30.9 m -146.0 142.44 21.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.944 -0.571 . . . . 0.36 110.708 179.58 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 66' ' ' VAL . . . . . 0.558 HG21 HG22 ' S' ' 46' ' ' THR . 87.6 t -95.18 126.17 47.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 N-CA-C 107.606 -1.257 . . . . 0.3 107.606 168.626 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' S' S ' 67' ' ' ILE . . . . . . . . . . . . . 50.6 mm -68.43 127.33 30.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.035 0.445 . . . . 0.47 110.875 -170.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 68' ' ' THR . . . . . . . . . . . . . 37.4 p -101.3 144.25 30.37 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 115.464 -0.789 . . . . 0.78 111.318 -176.116 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 69' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -59.55 140.01 56.67 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.458 -0.792 . . . . 1.75 109.891 175.388 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 70' ' ' ARG . . . . . . . . . . . . . 38.1 mmt180 -74.27 -15.62 60.97 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 112.238 0.459 . . . . 4.02 112.238 -174.409 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 71' ' ' ASN . . . . . . . . . . . . . 14.3 m-80 -93.84 -56.27 2.94 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.127 0.489 . . . . 2.64 110.25 -176.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 72' ' ' THR . . . . . . . . . . . . . 31.9 p -96.07 -15.23 22.33 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.575 -0.738 . . . . 1.84 112.259 -174.126 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 73' ' ' GLN . . . . . 0.892 ' HA ' HE21 ' S' ' 73' ' ' GLN . 0.0 OUTLIER 64.66 24.26 12.92 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.13 0.49 . . . . 2.35 111.083 -177.53 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' S' S ' 74' ' ' LYS . . . . . . . . . . . . . 13.2 mmmm -92.14 165.45 13.14 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.862 -0.608 . . . . 2.77 110.342 177.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 75' ' ' SER . . . . . 0.824 ' HB3' ' HA ' ' S' ' 44' ' ' TYR . 35.8 t -66.36 140.43 58.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.433 -0.348 . . . . 1.51 110.767 179.036 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' S' S ' 76' ' ' ARG . . . . . . . . . . . . . 67.9 mtp180 -101.18 6.04 42.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.066 0.46 . . . . 2.54 110.776 177.207 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 77' ' ' GLY . . . . . 0.501 ' HA2' ' O ' ' S' ' 42' ' ' LEU . . . 90.13 20.85 40.75 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.828 -0.701 . . . . 0.53 114.368 173.089 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' S' S ' 78' ' ' TYR . . . . . . . . . . . . . 46.1 p90 -162.25 151.48 15.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 117.567 0.684 . . . . 0.6 110.976 177.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 79' ' ' GLY . . . . . . . . . . . . . . . -147.59 175.85 26.72 Favored Glycine 0 N--CA 1.444 -0.794 0 C-N-CA 121.162 -0.542 . . . . 0.17 111.878 177.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 80' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -128.38 141.56 51.38 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 110.273 -0.269 . . . . 0.39 110.273 179.081 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 81' ' ' VAL . . . . . 0.487 ' HA ' ' O ' ' S' ' 63' ' ' GLU . 49.9 t -130.75 115.66 31.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-O 121.067 0.46 . . . . 0.24 110.652 178.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' S' S ' 82' ' ' THR . . . . . . . . . . . . . 24.6 m -101.02 113.33 26.22 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.734 -0.469 . . . . 0.3 109.734 176.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 83' ' ' MET . . . . . . . . . . . . . 91.9 mmm -88.56 167.3 13.52 Favored 'General case' 0 C--N 1.328 -0.339 0 O-C-N 123.645 0.59 . . . . 0.72 110.951 -175.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 84' ' ' LYS . . . . . 0.449 ' HD3' ' HB3' ' S' ' 60' ' ' ASP . 13.4 pttm -80.74 -26.66 37.2 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 116.305 -0.407 . . . . 2.21 111.085 -178.182 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' S' S ' 85' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -129.19 151.11 50.22 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 116.295 -0.412 . . . . 1.85 110.741 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 86' ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -66.3 -31.93 73.03 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.933 -0.766 . . . . 3.96 108.933 172.35 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 87' ' ' ALA . . . . . 0.459 ' O ' ' HG3' ' S' ' 91' ' ' ARG . . . -61.78 -43.82 98.1 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 115.772 -0.649 . . . . 0.62 110.633 176.646 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' S' S ' 88' ' ' SER . . . . . . . . . . . . . 10.6 m -64.38 -35.08 79.73 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.091 0.472 . . . . 0.88 110.042 177.412 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 89' ' ' ALA . . . . . 0.639 ' HA ' HD11 ' S' ' 37' ' ' ILE . . . -67.41 -48.76 66.4 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.618 -0.719 . . . . 0.35 111.033 179.783 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' S' S ' 90' ' ' GLU . . . . . 0.402 ' HG2' ' HA ' ' S' ' 87' ' ' ALA . 11.9 pt-20 -70.2 -23.14 62.9 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.808 -0.178 . . . . 1.85 111.048 -178.389 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' S' S ' 91' ' ' ARG . . . . . 0.459 ' HG3' ' O ' ' S' ' 87' ' ' ALA . 95.8 mtt180 -66.14 -39.05 89.56 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.017 0.437 . . . . 2.92 110.099 171.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' S' S ' 92' ' ' ALA . . . . . . . . . . . . . . . -74.29 -40.08 62.51 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.834 -0.621 . . . . 0.47 110.653 177.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 93' ' ' CYS . . . . . . . . . . . . . 73.8 m -73.43 -8.22 54.99 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.117 -0.492 . . . . 1.35 111.094 178.05 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 94' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -64.99 -24.32 67.48 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.06 0.457 . . . . 2.95 109.966 176.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 95' ' ' ASP . . . . . 0.421 ' HA ' ' HD3' ' S' ' 96' ' ' PRO . 36.6 t0 -109.72 99.12 36.67 Favored Pre-proline 0 C--N 1.328 -0.34 0 N-CA-C 108.561 -0.903 . . . . 2.13 108.561 172.708 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' S' S ' 96' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' S' ' 95' ' ' ASP . 11.4 Cg_exo -71.59 -21.95 25.01 Favored 'Trans proline' 0 C--O 1.234 0.312 0 C-N-CA 123.073 2.515 . . . . 0.76 113.398 -171.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' S' S ' 97' ' ' ASN . . . . . 0.702 ' HA ' ' O ' ' S' ' 105' ' ' ALA . 0.3 OUTLIER -152.51 67.89 6.87 Favored Pre-proline 0 C--N 1.327 -0.411 0 CA-C-O 120.759 0.314 . . . . 1.08 111.49 -175.801 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' S' S ' 98' ' ' PRO . . . . . 0.507 ' O ' ' HA ' ' S' ' 104' ' ' LYS . 92.4 Cg_endo -79.61 157.8 25.06 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.967 2.444 . . . . 0.53 112.667 -178.206 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' S' S ' 99' ' ' ILE . . . . . . . . . . . . . 43.1 mm -87.18 100.78 10.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.299 -0.41 . . . . 0.51 110.375 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 100' ' ' ILE . . . . . . . . . . . . . 48.1 mt -111.46 118.51 57.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 116.189 -0.459 . . . . 0.57 109.88 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 101' ' ' ASP . . . . . . . . . . . . . 37.6 t0 60.73 30.08 19.45 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-O 121.795 0.807 . . . . 1.4 110.476 177.379 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 102' ' ' GLY . . . . . . . . . . . . . . . 87.13 12.91 67.12 Favored Glycine 0 N--CA 1.45 -0.391 0 CA-C-N 115.584 -0.735 . . . . 0.82 113.33 177.159 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 103' ' ' ARG . . . . . . . . . . . . . 5.7 tpp180 -138.28 135.98 36.02 Favored 'General case' 0 C--N 1.322 -0.592 0 O-C-N 122.197 -0.59 . . . . 3.11 109.938 179.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 104' ' ' LYS . . . . . 0.507 ' HA ' ' O ' ' S' ' 98' ' ' PRO . 0.2 OUTLIER -77.1 109.58 11.06 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.665 0.745 . . . . 1.98 109.921 179.498 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' S' S ' 105' ' ' ALA . . . . . 0.702 ' O ' ' HA ' ' S' ' 97' ' ' ASN . . . -85.36 156.93 20.67 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.187 -0.915 . . . . 0.33 110.747 -176.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' S' S ' 106' ' ' ASN . . . . . 0.514 HD22 ' N ' ' S' ' 106' ' ' ASN . 0.8 OUTLIER -102.69 109.49 21.1 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 109.217 -0.66 . . . . 1.99 109.217 -179.489 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' S' S ' 107' ' ' VAL . . . . . . . . . . . . . 43.6 t -104.98 126.46 59.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.403 -0.362 . . . . 0.33 110.406 -177.49 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 108' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -164.81 161.85 20.65 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.316 -0.624 . . . . 1.76 109.316 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 109' ' ' LEU . . . . . . . . . . . . . 95.1 mt -77.77 134.91 37.95 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.001 0.429 . . . . 0.57 110.279 -179.456 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 110' ' ' ALA . . . . . . . . . . . . . . . -72.77 -14.43 61.54 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.895 0.702 . . . . 0.66 112.895 -171.257 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 111' ' ' TYR . . . . . . . . . . . . . 8.9 p90 -74.77 -5.84 45.61 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 120.821 0.343 . . . . 1.25 111.385 -175.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 112' ' ' LEU . . . . . . . . . . . . . 90.9 mt -85.85 -8.11 58.29 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.814 0.34 . . . . 1.54 110.975 177.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 113' ' ' GLY . . . . . . . . . . . . . . . 93.77 67.73 1.06 Allowed Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.651 -0.785 . . . . 1.94 111.754 -178.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 114' ' ' ALA . . . . . . . . . . . . . . . -74.86 144.31 43.46 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.71 0.29 . . . . 1.62 110.837 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 115' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp -115.79 96.82 47.64 Favored Pre-proline 0 C--N 1.326 -0.432 0 CA-C-N 116.448 -0.342 . . . . 5.27 111.369 -179.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 116' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -83.49 -17.69 6.2 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 123.035 2.49 . . . . 2.96 111.0 171.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 117' ' ' ARG . . . . . . . . . . . . . 50.9 mtm180 -145.1 -156.03 0.66 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.449 -1.251 . . . . 4.5 108.269 177.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 118' ' ' THR . . . . . . . . . . . . . 9.0 m -79.75 -40.13 29.48 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.325 0.583 . . . . 6.3 110.052 174.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 119' ' ' ASN . . . . . . . . . . . . . 51.7 t30 -140.08 148.64 42.03 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.782 -0.645 . . . . 6.91 110.201 -179.033 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 120' ' ' VAL . . . . . . . . . . . . . 48.4 t -106.09 -28.64 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.291 -0.413 . . . . 8.89 110.466 -179.141 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 121' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 . . . . . 0 C--O 1.249 1.071 0 CA-C-N 115.571 -0.741 . . . . 11.5 110.584 -178.099 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' S' S ' 25' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.905 0 N-CA-C 111.901 -0.48 . . . . 11.03 111.901 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' S' S ' 26' ' ' ALA . . . . . . . . . . . . . . . -83.14 -7.69 59.6 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 111.977 0.362 . . . . 9.46 111.977 -175.414 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 27' ' ' MET . . . . . . . . . . . . . 52.3 ttm -143.6 -51.18 0.33 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.178 0.513 . . . . 9.91 110.605 177.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 28' ' ' GLY . . . . . . . . . . . . . . . -87.25 51.95 4.28 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.88 -0.676 . . . . 5.77 112.355 -177.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 29' ' ' SER . . . . . . . . . . . . . 45.6 p -88.85 -16.84 31.0 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.242 0.544 . . . . 4.45 110.38 177.124 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 30' ' ' ARG . . . . . . . . . . . . . 10.5 mmm180 -100.02 95.44 6.85 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.884 -0.598 . . . . 7.03 110.443 179.12 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 31' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -79.53 -2.46 42.36 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.792 0.806 . . . . 3.39 108.868 174.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 32' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -65.21 -12.04 47.08 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 114.479 -1.237 . . . . 1.26 111.755 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 33' ' ' MET . . . . . 0.611 ' HB3' ' HB3' ' S' ' 111' ' ' TYR . 46.7 mtm -62.49 -27.49 69.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 1.39 110.608 -179.69 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 34' ' ' PHE . . . . . . . . . . . . . 75.9 m-85 -100.99 4.49 42.49 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.942 -0.572 . . . . 0.97 111.756 -174.113 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 35' ' ' THR . . . . . 0.505 ' O ' ' HA ' ' S' ' 82' ' ' THR . 15.7 p -124.77 -9.01 7.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.082 0.467 . . . . 0.55 110.872 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 36' ' ' LYS . . . . . . . . . . . . . 74.3 tttt -98.66 113.87 26.11 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.69 -0.686 . . . . 1.95 109.917 179.189 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 37' ' ' ILE . . . . . 0.496 HD11 ' HA ' ' S' ' 89' ' ' ALA . 41.8 mt -108.0 143.09 19.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 115.804 -0.635 . . . . 0.41 111.296 -175.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 38' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -102.84 122.94 45.54 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.3 -0.629 . . . . 0.45 109.3 176.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 39' ' ' VAL . . . . . 0.633 HG13 HG22 ' S' ' 107' ' ' VAL . 38.6 t -120.74 103.79 14.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.533 -0.303 . . . . 0.2 110.496 -179.363 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 40' ' ' GLY . . . . . . . . . . . . . . . -108.02 151.98 16.97 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.399 -0.905 . . . . 0.27 112.067 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 41' ' ' GLY . . . . . . . . . . . . . . . 104.28 37.14 2.94 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.576 -0.821 . . . . 0.49 111.863 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 42' ' ' LEU . . . . . 0.523 HD11 HD13 ' S' ' 51' ' ' LEU . 88.0 mt -105.9 130.07 23.6 Favored Pre-proline 0 C--N 1.324 -0.539 0 CA-C-O 120.643 0.258 . . . . 0.6 111.052 -177.722 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 43' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -56.12 162.81 6.89 Favored 'Trans proline' 0 CA--C 1.532 0.417 0 C-N-CA 123.164 2.576 . . . . 0.55 112.58 175.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 44' ' ' TYR . . . . . 0.693 ' HA ' ' HB3' ' S' ' 75' ' ' SER . 29.0 m-85 -62.87 -30.92 71.88 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.752 -0.658 . . . . 2.41 112.056 -173.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 45' ' ' HIS . . . . . . . . . . . . . 3.7 p80 -94.17 12.11 27.75 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.194 0.521 . . . . 2.31 111.395 -176.265 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 46' ' ' THR . . . . . . . . . . . . . 87.0 m -85.47 109.88 18.78 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.15 -0.685 . . . . 0.53 109.15 175.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 47' ' ' SER . . . . . . . . . . . . . 13.9 m -102.18 -176.63 3.17 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.189 -0.46 . . . . 0.68 111.018 -173.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 48' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -54.12 -44.75 71.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.667 -0.697 . . . . 1.29 110.361 177.154 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 49' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -58.71 -40.35 83.46 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.619 -0.719 . . . . 2.5 111.522 179.242 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 50' ' ' THR . . . . . . . . . . . . . 3.0 m -66.61 -48.35 69.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.832 0.349 . . . . 0.43 110.568 -178.196 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 51' ' ' LEU . . . . . 0.523 HD13 HD11 ' S' ' 42' ' ' LEU . 32.6 tp -62.2 -47.57 83.87 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-O 121.217 0.532 . . . . 0.46 110.504 178.518 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 52' ' ' HIS . . . . . . . . . . . . . 16.9 t-80 -60.22 -51.33 70.03 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.652 -0.703 . . . . 0.55 111.506 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 53' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -55.21 -49.84 70.94 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.597 0.237 . . . . 2.24 111.605 -176.2 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 54' ' ' TYR . . . . . . . . . . . . . 92.2 t80 -63.88 -41.77 97.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.492 -0.322 . . . . 0.55 111.613 -176.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 55' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -85.36 -22.2 28.54 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 112.537 0.569 . . . . 0.5 112.537 -173.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 56' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -68.81 -17.67 64.05 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.199 0.523 . . . . 1.47 109.89 178.267 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 57' ' ' GLN . . . . . . . . . . . . . 35.6 tp60 -58.8 -33.63 70.58 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.724 -0.671 . . . . 2.98 110.355 172.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 58' ' ' PHE . . . . . 0.411 ' HB3' ' CB ' ' S' ' 91' ' ' ARG . 52.4 m-85 -85.62 -29.97 23.64 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.173 -0.467 . . . . 0.65 110.665 -177.438 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 59' ' ' GLY . . . . . . . . . . . . . . . 172.55 165.85 30.22 Favored Glycine 0 N--CA 1.447 -0.569 0 C-N-CA 120.994 -0.622 . . . . 0.44 112.749 178.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 60' ' ' ASP . . . . . 0.677 ' HB3' ' HD3' ' S' ' 84' ' ' LYS . 26.1 t70 -56.95 139.71 51.04 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.21 0.528 . . . . 1.99 111.548 178.425 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 61' ' ' ILE . . . . . 0.725 HG21 ' HB2' ' S' ' 64' ' ' ALA . 57.8 mt -118.21 145.44 24.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.593 -0.731 . . . . 0.43 110.394 -176.298 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 62' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -92.84 -53.84 4.0 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.991 0.424 . . . . 1.91 110.393 177.336 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 63' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -136.4 118.34 15.26 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.997 -0.547 . . . . 1.81 110.021 179.185 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 64' ' ' ALA . . . . . 0.725 ' HB2' HG21 ' S' ' 61' ' ' ILE . . . -135.74 100.49 4.48 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 110.001 -0.37 . . . . 0.38 110.001 177.457 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 65' ' ' VAL . . . . . . . . . . . . . 30.8 m -133.02 138.96 50.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 121.003 0.43 . . . . 0.36 110.912 -178.004 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 66' ' ' VAL . . . . . . . . . . . . . 61.7 t -88.64 122.9 40.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 N-CA-C 108.356 -0.979 . . . . 0.3 108.356 173.446 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 67' ' ' ILE . . . . . . . . . . . . . 47.3 mm -68.24 131.34 33.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 120.924 0.392 . . . . 0.47 110.575 -172.028 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 68' ' ' THR . . . . . . . . . . . . . 21.5 p -104.32 150.8 24.14 Favored 'General case' 0 N--CA 1.446 -0.673 0 CA-C-N 115.842 -0.617 . . . . 0.78 111.283 -176.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 69' ' ' ASP . . . . . 0.472 ' O ' ' HA ' ' S' ' 73' ' ' GLN . 24.1 t70 -73.62 140.11 45.95 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.535 -0.757 . . . . 1.75 109.714 175.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 70' ' ' ARG . . . . . . . . . . . . . 28.3 mmm180 -76.59 -21.71 55.21 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 112.183 0.438 . . . . 4.02 112.183 -174.303 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 71' ' ' ASN . . . . . . . . . . . . . 22.7 m120 -94.81 -50.72 5.01 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 111.877 0.325 . . . . 2.64 111.877 -175.359 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 72' ' ' THR . . . . . . . . . . . . . 50.1 p -92.36 -22.68 19.55 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.455 -0.338 . . . . 1.84 111.331 -178.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 73' ' ' GLN . . . . . 0.472 ' HA ' ' O ' ' S' ' 69' ' ' ASP . 13.7 mm-40 65.42 31.04 10.61 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.039 -0.528 . . . . 2.35 111.933 -178.339 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 74' ' ' LYS . . . . . . . . . . . . . 34.2 mttp -103.12 173.73 6.17 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.009 -0.541 . . . . 2.77 109.79 170.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 75' ' ' SER . . . . . 0.693 ' HB3' ' HA ' ' S' ' 44' ' ' TYR . 41.4 t -65.84 140.82 58.41 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.043 0.449 . . . . 1.51 111.256 -178.633 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 76' ' ' ARG . . . . . . . . . . . . . 1.3 mmp_? -70.95 -20.95 62.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.611 -0.722 . . . . 2.54 109.959 172.547 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 77' ' ' GLY . . . . . 0.463 ' HA2' ' O ' ' S' ' 42' ' ' LEU . . . 104.38 11.82 30.43 Favored Glycine 0 N--CA 1.444 -0.828 0 C-N-CA 120.699 -0.763 . . . . 0.53 111.898 -177.647 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 78' ' ' TYR . . . . . . . . . . . . . 29.7 p90 -157.92 158.11 34.38 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 120.741 0.305 . . . . 0.6 110.714 178.184 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 79' ' ' GLY . . . . . . . . . . . . . . . -139.0 165.78 25.57 Favored Glycine 0 N--CA 1.45 -0.369 0 CA-C-N 116.144 -0.48 . . . . 0.17 111.978 178.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 80' ' ' PHE . . . . . 0.599 ' HZ ' ' HB3' ' S' ' 116' ' ' PRO . 63.9 m-85 -114.43 136.07 53.41 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.666 0.269 . . . . 0.39 110.625 177.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 81' ' ' VAL . . . . . . . . . . . . . 25.9 t -124.81 113.73 37.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.292 -0.413 . . . . 0.24 110.541 177.615 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 82' ' ' THR . . . . . 0.505 ' HA ' ' O ' ' S' ' 35' ' ' THR . 11.2 m -109.5 109.27 20.03 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 108.844 -0.799 . . . . 0.3 108.844 176.081 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 83' ' ' MET . . . . . 0.544 ' HA ' ' HA ' ' S' ' 61' ' ' ILE . 5.1 mtp -94.62 172.29 8.27 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.354 -0.384 . . . . 0.72 110.605 -170.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 84' ' ' LYS . . . . . 0.677 ' HD3' ' HB3' ' S' ' 60' ' ' ASP . 22.2 pttm -66.0 -36.94 84.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.261 -0.427 . . . . 2.21 111.701 -177.478 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 85' ' ' ASP . . . . . 0.467 ' HB3' ' HG3' ' S' ' 84' ' ' LYS . 0.0 OUTLIER -144.25 164.04 31.9 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.019 0.438 . . . . 1.85 111.208 -172.631 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' S' S ' 86' ' ' ARG . . . . . 0.433 ' O ' ' HG3' ' S' ' 90' ' ' GLU . 67.5 mtm180 -72.31 -30.31 64.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.866 -0.606 . . . . 3.96 112.231 -175.469 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.85 -39.9 83.75 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-O 121.047 0.451 . . . . 0.62 110.005 -179.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 88' ' ' SER . . . . . . . . . . . . . 15.3 m -61.85 -38.24 87.49 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.75 -0.659 . . . . 0.88 109.69 174.181 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 89' ' ' ALA . . . . . 0.496 ' HA ' HD11 ' S' ' 37' ' ' ILE . . . -65.99 -38.91 89.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.621 -0.718 . . . . 0.35 111.384 -179.039 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 90' ' ' GLU . . . . . 0.58 ' HA ' ' SG ' ' S' ' 93' ' ' CYS . 44.0 mt-10 -70.01 -31.54 69.26 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.431 -0.35 . . . . 1.85 110.761 178.086 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 91' ' ' ARG . . . . . 0.411 ' CB ' ' HB3' ' S' ' 58' ' ' PHE . 86.3 mtt180 -62.2 -33.73 75.11 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.936 0.398 . . . . 2.92 110.26 172.466 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 92' ' ' ALA . . . . . . . . . . . . . . . -76.0 -39.77 55.09 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.811 -0.632 . . . . 0.47 111.409 -177.391 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 93' ' ' CYS . . . . . 0.58 ' SG ' ' HA ' ' S' ' 90' ' ' GLU . 12.3 p -94.69 8.85 41.05 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.983 0.42 . . . . 1.35 110.9 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 94' ' ' LYS . . . . . . . . . . . . . 4.4 tptm -58.03 -36.86 73.33 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.862 -0.608 . . . . 2.95 110.487 175.355 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 95' ' ' ASP . . . . . . . . . . . . . 47.7 t0 -109.53 105.25 56.96 Favored Pre-proline 0 C--N 1.324 -0.529 0 N-CA-C 108.497 -0.927 . . . . 2.13 108.497 173.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 96' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -66.37 -18.01 54.6 Favored 'Trans proline' 0 N--CA 1.463 -0.286 0 C-N-CA 122.575 2.184 . . . . 0.76 112.342 -177.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 97' ' ' ASN . . . . . 0.531 ' HA ' ' O ' ' S' ' 105' ' ' ALA . 0.8 OUTLIER -133.34 70.76 77.03 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.241 -0.436 . . . . 1.08 110.607 -178.367 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' S' S ' 98' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -78.43 154.26 27.77 Favored 'Trans proline' 0 N--CA 1.461 -0.422 0 C-N-CA 122.992 2.462 . . . . 0.53 112.329 -178.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 99' ' ' ILE . . . . . . . . . . . . . 34.5 mm -95.71 95.9 5.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.008 -0.542 . . . . 0.51 110.139 178.14 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 100' ' ' ILE . . . . . . . . . . . . . 57.6 mt -106.54 114.71 46.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 116.063 -0.517 . . . . 0.57 110.382 -177.429 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 101' ' ' ASP . . . . . . . . . . . . . 32.6 t70 65.92 15.79 10.2 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 121.864 0.84 . . . . 1.4 110.605 177.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 102' ' ' GLY . . . . . . . . . . . . . . . 94.93 4.6 61.5 Favored Glycine 0 N--CA 1.447 -0.578 0 CA-C-N 115.653 -0.703 . . . . 0.82 112.231 -178.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 103' ' ' ARG . . . . . 0.448 ' HD2' ' HA ' ' S' ' 103' ' ' ARG . 18.1 tpt180 -113.78 136.09 53.23 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 110.117 -0.327 . . . . 3.11 110.117 178.316 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 104' ' ' LYS . . . . . 0.509 ' HD3' ' OD1' ' S' ' 97' ' ' ASN . 39.4 ttmt -75.0 121.93 22.74 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.645 -0.502 . . . . 1.98 109.645 175.295 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 105' ' ' ALA . . . . . 0.531 ' O ' ' HA ' ' S' ' 97' ' ' ASN . . . -109.16 165.13 11.84 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.103 -0.499 . . . . 0.33 111.195 -178.396 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 106' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -116.54 110.15 18.19 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.803 -0.635 . . . . 1.99 109.421 175.224 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 107' ' ' VAL . . . . . 0.633 HG22 HG13 ' S' ' 39' ' ' VAL . 61.9 t -107.08 127.4 62.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.071 -0.513 . . . . 0.33 110.308 -178.241 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 108' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -150.8 148.88 29.04 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.138 -0.483 . . . . 1.76 109.868 -178.402 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 109' ' ' LEU . . . . . 0.414 HD23 HG12 ' S' ' 37' ' ' ILE . 95.6 mt -66.95 137.79 56.79 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 110.214 -0.291 . . . . 0.57 110.214 178.508 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 110' ' ' ALA . . . . . . . . . . . . . . . -58.68 -37.11 75.34 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.755 0.65 . . . . 0.66 112.755 -172.007 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 111' ' ' TYR . . . . . 0.611 ' HB3' ' HB3' ' S' ' 33' ' ' MET . 8.4 p90 -74.03 -5.86 44.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.675 0.274 . . . . 1.25 111.55 -173.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 112' ' ' LEU . . . . . . . . . . . . . 86.4 mt -91.88 -12.83 32.48 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 121.205 -0.198 . . . . 1.54 111.507 -178.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 113' ' ' GLY . . . . . . . . . . . . . . . 144.14 58.3 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.094 -1.05 . . . . 1.94 113.122 177.17 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 114' ' ' ALA . . . . . . . . . . . . . . . -111.98 119.7 39.38 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 122.609 -0.348 . . . . 1.62 110.535 177.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 115' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -109.92 103.81 54.19 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 116.424 -0.353 . . . . 5.27 110.163 177.546 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 116' ' ' PRO . . . . . 0.599 ' HB3' ' HZ ' ' S' ' 80' ' ' PHE . 65.2 Cg_endo -76.13 139.47 21.5 Favored 'Trans proline' 0 N--CA 1.459 -0.539 0 C-N-CA 122.153 1.902 . . . . 2.96 111.662 176.104 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 117' ' ' ARG . . . . . . . . . . . . . 85.5 mtt180 -88.14 36.52 0.78 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.39 0.614 . . . . 4.5 110.927 -179.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 118' ' ' THR . . . . . . . . . . . . . 30.1 p -83.16 128.52 34.56 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.631 -0.713 . . . . 6.3 109.599 176.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 119' ' ' ASN . . . . . . . . . . . . . 92.9 m-20 -111.43 141.59 44.79 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.7 0.286 . . . . 6.91 111.605 -173.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 120' ' ' VAL . . . . . 0.451 ' O ' ' HB2' ' S' ' 121' ' ' GLN . 8.8 t 66.61 39.66 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 CA-C-N 115.269 -0.878 . . . . 8.89 112.051 173.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 121' ' ' GLN . . . . . 0.451 ' HB2' ' O ' ' S' ' 120' ' ' VAL . 1.7 tp60 . . . . . 0 C--O 1.251 1.152 0 CA-C-O 118.945 -0.55 . . . . 11.5 110.008 171.006 . . . . . . . . 1 1 . 1 stop_ save_