data_2koq_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 2koq _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.622 ' O ' HG13 ' A' ' 7' ' ' ILE . 0.5 OUTLIER . . . . . 0 N--CA 1.419 -1.98 0 N-CA-C 107.556 -1.275 . . . . 1.6 107.556 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -52.85 -41.1 63.95 Favored 'General case' 0 N--CA 1.489 1.518 0 CA-C-O 121.596 0.713 . . . . 1.66 111.545 -173.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -72.01 -27.83 62.99 Favored 'General case' 0 C--N 1.296 -1.728 0 CA-C-N 114.872 -1.058 . . . . 2.3 110.399 -176.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.507 ' HB3' ' O ' ' A' ' 3' ' ' THR . 40.9 tt0 -75.03 -36.03 61.91 Favored 'General case' 0 C--N 1.305 -1.359 0 N-CA-C 108.201 -1.037 . . . . 1.92 108.201 177.605 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.622 HG13 ' O ' ' A' ' 3' ' ' THR . 29.8 mt -64.07 -56.48 16.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 107.73 -1.211 . . . . 1.08 107.73 176.129 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.579 ' HA ' HD12 ' A' ' 11' ' ' LEU . 93.7 t -53.75 -40.85 45.12 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.993 0 CA-C-N 115.481 -0.781 . . . . 1.1 110.795 176.485 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.93 -32.01 72.97 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.958 0.409 . . . . 1.08 111.194 177.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.38 -37.45 90.4 Favored Glycine 0 C--O 1.215 -1.078 0 N-CA-C 110.451 -1.06 . . . . 0.31 110.451 176.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.579 HD12 ' HA ' ' A' ' 8' ' ' VAL . 63.8 mt -65.87 -50.38 64.72 Favored 'General case' 0 C--N 1.31 -1.137 0 N-CA-C 108.278 -1.008 . . . . 1.02 108.278 175.426 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.489 ' HA ' HG22 ' A' ' 26' ' ' VAL . . . -51.93 -45.94 64.5 Favored 'General case' 0 C--N 1.318 -0.786 0 C-N-CA 125.108 1.363 . . . . 1.08 113.091 -178.247 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -66.34 -26.2 67.18 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 113.065 0.765 . . . . 1.46 113.065 -177.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.485 HD11 ' HG2' ' A' ' 53' ' ' ARG . 85.7 mt -85.78 -42.47 16.05 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.754 0 N-CA-C 108.84 -0.8 . . . . 1.16 108.84 179.205 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.405 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 78.3 t -62.07 -40.62 88.09 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.996 0 CA-C-N 115.466 -0.788 . . . . 1.1 110.937 178.78 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.5 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 5.8 t-20 -61.51 -33.33 73.62 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 121.02 0.438 . . . . 0.64 110.542 179.492 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -79.84 -61.99 1.82 Allowed 'General case' 0 C--N 1.305 -1.33 0 CA-C-N 115.099 -0.955 . . . . 2.0 110.795 -177.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.548 HG22 ' HB2' ' A' ' 45' ' ' GLU . 87.6 mt -76.98 -52.73 16.22 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.043 0 CA-C-N 115.304 -0.862 . . . . 1.1 112.922 -172.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.582 ' HB3' HG12 ' A' ' 38' ' ' VAL . . . -74.05 -42.11 60.73 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-O 121.529 0.68 . . . . 0.93 109.334 -179.441 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 92.27 28.18 13.83 Favored Glycine 0 N--CA 1.436 -1.345 0 CA-C-N 114.828 -1.078 . . . . 0.46 110.747 -177.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.5 ' O ' ' HA ' ' A' ' 16' ' ' ASN . 49.5 mm -111.69 131.24 22.47 Favored Pre-proline 0 C--N 1.311 -1.066 0 N-CA-C 108.316 -0.994 . . . . 1.2 108.316 -179.175 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.462 ' HD2' ' HA ' ' A' ' 21' ' ' ILE . 4.5 Cg_exo -33.11 129.72 0.12 Allowed 'Trans proline' 0 C--N 1.356 0.967 1 C-N-CA 125.601 4.201 . . . . 0.47 115.486 176.874 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 66.3 t -56.19 -39.05 57.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 N-CA-C 107.174 -1.417 . . . . 1.4 107.174 176.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.515 ' O ' ' HE3' ' A' ' 27' ' ' LYS . 29.6 mm-40 -78.17 -19.95 52.92 Favored 'General case' 0 N--CA 1.412 -2.367 0 CA-C-N 113.118 -1.855 . . . . 2.34 113.224 -173.733 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -91.4 -0.52 57.65 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-O 122.652 1.215 . . . . 0.69 109.445 -179.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.621 HG12 HG11 ' A' ' 69' ' ' VAL . 41.3 t -80.75 80.64 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.42 -1.935 0 CA-C-O 123.156 1.455 . . . . 1.17 107.493 172.716 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.515 ' HE3' ' O ' ' A' ' 24' ' ' GLU . 26.1 mmtp -81.56 -146.01 0.06 Allowed 'General case' 0 C--N 1.308 -1.199 0 CA-C-N 111.806 -2.452 . . . . 2.23 107.942 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.451 ' HA ' HG21 ' A' ' 69' ' ' VAL . 4.9 tt -122.2 -17.35 7.19 Favored 'General case' 0 C--N 1.304 -1.376 0 C-N-CA 119.275 -0.97 . . . . 1.7 111.523 -179.529 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -87.64 -11.77 47.47 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-O 122.288 1.042 . . . . 2.11 109.625 176.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.661 ' O ' HG22 ' A' ' 69' ' ' VAL . 70.8 mmtt -70.21 114.14 8.06 Favored 'General case' 0 C--N 1.3 -1.568 0 CA-C-N 114.582 -1.19 . . . . 1.65 113.465 -172.194 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.616 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 5.2 p -81.51 109.62 16.14 Favored 'General case' 0 N--CA 1.392 -3.358 0 N-CA-C 107.606 -1.257 . . . . 1.66 107.606 171.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.655 ' HA ' HD11 ' A' ' 36' ' ' LEU . 64.9 m-85 -29.81 -86.57 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.314 0 N-CA-C 114.154 1.168 . . . . 0.61 114.154 176.64 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.5 HG21 ' HB ' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -76.63 40.78 0.24 Allowed 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 114.326 1.232 . . . . 1.08 114.326 178.295 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -150.43 -68.22 0.19 Allowed 'General case' 0 C--N 1.316 -0.882 0 O-C-N 121.764 -0.585 . . . . 0.73 112.461 179.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -80.32 -44.1 20.09 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 108.917 -0.771 . . . . 1.46 108.917 -178.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.655 HD11 ' HA ' ' A' ' 32' ' ' PHE . 95.8 mt -72.07 -46.85 55.3 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 108.638 -0.875 . . . . 1.12 108.638 177.416 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.5 t70 74.35 85.67 0.1 Allowed 'General case' 0 CA--C 1.516 -0.358 0 C-N-CA 125.414 1.486 . . . . 1.14 110.924 178.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.582 HG12 ' HB3' ' A' ' 19' ' ' ALA . 89.1 t -87.72 -90.03 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.305 -1.345 0 CA-C-N 113.97 -1.468 . . . . 2.39 109.997 -176.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.5 t70 170.91 167.64 0.07 Allowed 'General case' 0 CA--C 1.49 -1.346 0 N-CA-C 103.121 -2.918 . . . . 0.79 103.121 -177.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 31.5 t -87.69 -39.78 14.7 Favored 'General case' 0 C--N 1.253 -3.608 0 CA-C-O 121.941 0.877 . . . . 1.37 108.683 -173.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 28.1 mt -87.03 -30.94 20.82 Favored 'General case' 0 C--N 1.297 -1.695 0 CA-C-N 114.963 -1.017 . . . . 1.58 109.953 -173.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.436 ' HB3' HG21 ' A' ' 18' ' ' ILE . 31.5 m -72.1 -24.62 61.52 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-O 121.426 0.631 . . . . 1.26 109.537 177.282 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.602 ' HE3' ' HB3' ' A' ' 32' ' ' PHE . 32.5 tpp -59.0 -44.18 91.61 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 115.557 -0.747 . . . . 1.22 111.225 179.302 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 39.6 t -66.01 -23.54 32.3 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 CA-C-N 115.612 -0.722 . . . . 1.25 111.218 -176.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.548 ' HB2' HG22 ' A' ' 18' ' ' ILE . 37.8 mt-10 -74.95 -35.44 62.14 Favored 'General case' 0 N--CA 1.439 -1.0 0 N-CA-C 109.195 -0.668 . . . . 2.08 109.195 178.322 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.405 ' HA ' HG23 ' A' ' 14' ' ' ILE . 62.6 t -63.12 -47.27 93.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 108.245 -1.021 . . . . 1.21 108.245 177.03 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.585 HG22 HG13 ' A' ' 63' ' ' VAL . 31.9 t -58.36 -57.77 9.45 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.335 -0.848 . . . . 1.1 110.735 179.022 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.531 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 2.1 p -56.0 -41.11 66.86 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 CA-C-O 121.571 0.7 . . . . 1.36 111.626 -177.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.39 -35.18 73.32 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 115.503 -0.771 . . . . 1.13 111.167 178.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.2 -34.12 73.18 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 122.88 0.472 . . . . 1.14 111.279 -179.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.532 ' HG2' ' H ' ' A' ' 58' ' ' ILE . 39.2 mt-10 -56.26 -42.62 77.71 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.433 0.635 . . . . 1.36 110.653 179.381 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -83.35 -35.88 24.82 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-N 116.022 -0.535 . . . . 2.09 111.398 178.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.485 ' HG2' HD11 ' A' ' 14' ' ' ILE . 6.8 tpm_? -67.1 -37.43 83.92 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.788 -0.642 . . . . 3.27 111.378 -174.054 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.49 ' CD2' HG23 ' A' ' 76' ' ' ILE . 69.3 m-85 -101.73 -11.85 18.81 Favored 'General case' 0 C--N 1.291 -1.97 0 CA-C-N 115.382 -0.826 . . . . 1.11 111.47 -176.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 59.82 70.41 0.64 Allowed 'General case' 0 CA--C 1.505 -0.771 0 CA-C-O 121.774 0.797 . . . . 2.02 110.019 -173.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 14.9 p -160.48 178.74 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.296 -1.748 0 N-CA-C 106.066 -1.827 . . . . 1.87 106.066 -177.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 45.6 tptt -129.93 99.35 5.07 Favored 'General case' 0 C--N 1.292 -1.925 0 CA-C-N 119.22 0.918 . . . . 2.26 108.761 179.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.532 ' H ' ' HG2' ' A' ' 51' ' ' GLU . 19.8 mt -112.5 104.53 55.99 Favored Pre-proline 0 C--N 1.313 -0.995 0 N-CA-C 107.76 -1.2 . . . . 1.23 107.76 -179.158 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -78.41 144.47 20.35 Favored 'Trans proline' 0 N--CA 1.44 -1.676 0 C-N-CA 121.702 1.602 . . . . 0.76 112.005 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.502 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 7.0 t70 -53.1 -29.73 32.29 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.614 0.766 . . . . 2.0 111.705 176.666 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -50.98 -59.03 4.59 Favored 'General case' 0 C--N 1.308 -1.221 0 CA-C-N 115.246 -0.888 . . . . 2.09 111.468 176.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -87.52 -23.03 24.53 Favored 'General case' 0 C--N 1.316 -0.891 0 N-CA-C 112.742 0.645 . . . . 1.58 112.742 -176.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.585 HG13 HG22 ' A' ' 47' ' ' VAL . 2.0 p -57.72 -23.19 19.82 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 CA-C-O 121.228 0.537 . . . . 1.39 111.607 -176.148 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.502 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 58.7 mttm -66.33 -12.97 59.72 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 115.655 -0.702 . . . . 2.97 111.431 -178.3 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -96.86 -5.86 37.24 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.199 -0.455 . . . . 2.62 110.954 -179.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.646 HD13 ' HA ' ' A' ' 72' ' ' ALA . 87.2 mt -75.17 -52.1 11.78 Favored 'General case' 0 C--O 1.214 -0.814 0 C-N-CA 120.726 -0.39 . . . . 1.67 110.373 -179.437 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . 0.446 0.1 OUTLIER 59.02 -28.57 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 117.865 2.542 . . . . 3.58 117.865 176.13 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.616 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 75.4 p -125.78 171.11 10.93 Favored 'General case' 0 C--N 1.297 -1.701 0 O-C-N 121.513 -0.742 . . . . 1.09 110.813 176.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.661 HG22 ' O ' ' A' ' 30' ' ' LYS . 3.3 m -69.03 -40.79 81.24 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.71 0 CA-C-N 114.597 -1.183 . . . . 1.15 110.136 173.09 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -66.42 -41.0 94.63 Favored Glycine 0 N--CA 1.44 -1.088 0 CA-C-N 115.997 -0.547 . . . . 0.36 112.438 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.415 ' HB2' ' O ' ' A' ' 66' ' ' LEU . 33.1 m-20 -78.44 -26.05 46.14 Favored 'General case' 0 C--N 1.309 -1.166 0 C-N-CA 120.242 -0.583 . . . . 1.79 111.64 179.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.646 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -62.53 -53.14 59.16 Favored 'General case' 0 CA--C 1.515 -0.381 0 N-CA-C 108.154 -1.054 . . . . 1.08 108.154 172.505 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.424 ' HA ' HG23 ' A' ' 7' ' ' ILE . 88.2 m -48.71 -45.43 39.34 Favored 'General case' 0 C--O 1.192 -1.942 0 CA-C-N 115.021 -0.991 . . . . 1.15 111.489 172.323 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -52.03 -39.43 59.53 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 118.248 0.476 . . . . 3.35 112.06 177.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.483 ' HB2' HD22 ' A' ' 66' ' ' LEU . 49.5 t80 -72.15 -52.63 15.72 Favored 'General case' 0 C--O 1.195 -1.802 0 N-CA-C 107.974 -1.121 . . . . 1.19 107.974 -178.068 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.518 HG12 HD13 ' A' ' 58' ' ' ILE . 58.7 mt -62.31 -51.02 77.42 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.683 0 C-N-CA 124.102 0.961 . . . . 1.07 110.866 -177.148 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.471 ' HA ' HE21 ' A' ' 80' ' ' GLN . 61.0 tp -54.7 -35.24 63.4 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 122.963 0.505 . . . . 1.76 111.308 -179.586 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -89.32 -32.38 17.37 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-O 121.603 0.716 . . . . 0.67 111.631 -178.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 25.1 m-70 -93.63 5.24 52.28 Favored 'General case' 0 C--N 1.314 -0.943 0 C-N-CA 124.209 1.003 . . . . 1.87 113.125 -176.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.471 HE21 ' HA ' ' A' ' 77' ' ' LEU . 84.9 mm-40 -41.69 134.4 2.49 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 124.35 1.06 . . . . 1.31 111.337 175.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.526 0 N-CA-C 109.506 -0.553 . . . . 2.36 109.506 -178.734 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.493 ' O ' HG13 ' A' ' 7' ' ' ILE . 1.3 p . . . . . 0 N--CA 1.414 -2.24 0 N-CA-C 107.397 -1.334 . . . . 1.6 107.397 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.504 ' HA ' HD12 ' A' ' 7' ' ' ILE . 24.7 mt-30 -54.46 -29.35 49.49 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-O 121.854 0.835 . . . . 1.66 110.354 -177.599 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -65.14 -41.09 95.1 Favored 'General case' 0 C--N 1.305 -1.354 0 CA-C-N 114.223 -1.353 . . . . 2.3 109.817 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -71.6 -30.89 66.32 Favored 'General case' 0 C--O 1.216 -0.683 0 N-CA-C 108.934 -0.765 . . . . 1.92 108.934 -178.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.517 HG23 ' HA ' ' A' ' 73' ' ' THR . 31.2 mt -68.6 -57.48 8.8 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.639 0 N-CA-C 108.236 -1.024 . . . . 1.08 108.236 178.643 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.718 HG21 HD11 ' A' ' 28' ' ' LEU . 54.4 t -56.56 -42.35 75.66 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.028 0 CA-C-N 116.085 -0.507 . . . . 1.1 111.363 176.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.64 -34.03 76.96 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 120.879 0.371 . . . . 1.08 110.578 177.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.78 -42.67 92.95 Favored Glycine 0 CA--C 1.492 -1.368 0 N-CA-C 110.054 -1.218 . . . . 0.31 110.054 176.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.546 ' O ' HG22 ' A' ' 15' ' ' VAL . 96.2 mt -60.29 -49.33 78.01 Favored 'General case' 0 C--N 1.309 -1.173 0 N-CA-C 109.226 -0.657 . . . . 1.02 109.226 174.68 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.431 ' HA ' HG23 ' A' ' 26' ' ' VAL . . . -52.42 -48.42 65.76 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 124.042 0.937 . . . . 1.08 111.975 -179.608 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -62.5 -39.0 92.11 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.842 0.354 . . . . 1.46 111.85 -178.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.581 HG21 HG22 ' A' ' 46' ' ' VAL . 95.2 mt -65.39 -50.67 71.45 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.17 0 CA-C-N 115.546 -0.752 . . . . 1.16 109.534 177.069 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.546 HG22 ' O ' ' A' ' 11' ' ' LEU . 86.7 t -55.91 -49.82 72.76 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.883 0 CA-C-N 116.032 -0.531 . . . . 1.1 110.148 179.283 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.477 ' HB2' ' HB ' ' A' ' 23' ' ' VAL . 2.9 t-20 -61.11 -31.23 70.93 Favored 'General case' 0 C--N 1.304 -1.403 0 CA-C-O 121.339 0.59 . . . . 0.64 110.892 -177.825 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -83.5 -42.91 16.34 Favored 'General case' 0 CA--C 1.557 1.249 0 CA-C-N 115.56 -0.746 . . . . 2.0 112.442 -177.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 91.1 mt -94.35 -53.33 8.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 CA-C-O 121.3 0.571 . . . . 1.1 111.43 -177.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.566 ' HA ' HG23 ' A' ' 38' ' ' VAL . . . -75.06 -34.22 61.79 Favored 'General case' 0 C--N 1.306 -1.303 0 CA-C-O 121.357 0.599 . . . . 0.93 110.257 -176.651 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.74 8.81 83.95 Favored Glycine 0 N--CA 1.448 -0.501 0 N-CA-C 111.139 -0.784 . . . . 0.46 111.139 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.452 HG21 ' HB3' ' A' ' 36' ' ' LEU . 48.3 mm -85.86 138.78 35.1 Favored Pre-proline 0 C--N 1.306 -1.315 0 N-CA-C 108.176 -1.046 . . . . 1.2 108.176 -179.235 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 21' ' ' ILE . 7.6 Cg_exo -33.07 119.78 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.104 0 C-N-CA 125.173 3.915 . . . . 0.47 114.083 174.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.477 ' HB ' ' HB2' ' A' ' 16' ' ' ASN . 12.4 p -68.47 -13.41 17.07 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-O 123.074 1.416 . . . . 1.4 109.802 -178.505 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -97.76 -18.04 19.03 Favored 'General case' 0 C--N 1.28 -2.445 0 CA-C-N 113.163 -1.835 . . . . 2.34 110.932 -177.084 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.613 ' O ' ' HE3' ' A' ' 30' ' ' LYS . 13.9 t70 -90.9 -2.93 57.68 Favored 'General case' 0 C--O 1.214 -0.794 0 CA-C-O 122.193 0.997 . . . . 0.69 108.917 -176.317 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.431 HG23 ' HA ' ' A' ' 12' ' ' ALA . 99.5 t -77.75 73.37 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.5 0 CA-C-O 122.671 1.224 . . . . 1.17 109.122 178.246 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.767 ' O ' HG21 ' A' ' 69' ' ' VAL . 81.2 mttt -91.57 -175.48 4.21 Favored 'General case' 0 C--O 1.199 -1.565 0 N-CA-C 105.998 -1.853 . . . . 2.23 105.998 176.252 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.718 HD11 HG21 ' A' ' 8' ' ' VAL . 10.5 mp -90.25 1.78 56.13 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 115.269 1.581 . . . . 1.7 115.269 -175.625 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -102.35 7.29 40.55 Favored 'General case' 0 C--N 1.298 -1.655 0 CA-C-O 122.897 1.332 . . . . 2.11 108.809 179.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.613 ' HE3' ' O ' ' A' ' 25' ' ' ASP . 70.2 mmtt -85.93 114.31 22.74 Favored 'General case' 0 C--N 1.308 -1.222 0 CA-C-N 114.408 -1.269 . . . . 1.65 113.087 -175.499 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.415 ' HA ' HG23 ' A' ' 68' ' ' THR . 19.3 m -91.26 27.48 1.9 Allowed 'General case' 0 C--N 1.303 -1.441 0 C-N-CA 123.504 0.722 . . . . 1.66 112.212 178.656 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.617 ' HA ' HD12 ' A' ' 36' ' ' LEU . 71.7 m-85 57.53 -109.75 0.5 Allowed 'General case' 0 N--CA 1.462 0.138 0 N-CA-C 113.989 1.107 . . . . 0.61 113.989 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -74.71 68.38 1.68 Allowed 'General case' 0 C--N 1.315 -0.921 0 CA-C-O 121.91 0.862 . . . . 1.08 111.686 179.178 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -172.91 -59.37 0.02 OUTLIER 'General case' 0 C--N 1.311 -1.108 0 CA-C-N 114.088 -1.415 . . . . 0.73 107.778 -177.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -93.54 -50.6 5.34 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.261 -0.882 . . . . 1.46 109.103 -178.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.617 HD12 ' HA ' ' A' ' 32' ' ' PHE . 87.2 mt -71.05 -53.23 15.42 Favored 'General case' 0 C--O 1.219 -0.55 0 N-CA-C 108.31 -0.996 . . . . 1.12 108.31 177.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.5 t70 67.99 95.9 0.06 Allowed 'General case' 0 CA--C 1.505 -0.753 0 CA-C-N 114.71 -1.132 . . . . 1.14 112.165 175.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.586 HG13 ' H ' ' A' ' 39' ' ' ASP . 2.8 p -119.48 -88.3 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.413 -2.278 0 CA-C-N 115.233 -0.894 . . . . 2.39 113.178 179.251 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.586 ' H ' HG13 ' A' ' 38' ' ' VAL . 9.0 t70 -166.46 -174.69 2.93 Favored 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 105.931 -1.878 . . . . 0.79 105.931 -172.129 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 41.3 t -93.79 -38.0 11.49 Favored 'General case' 0 C--N 1.277 -2.551 0 C-N-CA 123.575 0.75 . . . . 1.37 109.233 -177.358 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 76.6 mt -73.53 -37.34 65.66 Favored 'General case' 0 C--N 1.307 -1.271 0 CA-C-N 115.184 -0.916 . . . . 1.58 110.171 -173.33 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.2 m -74.2 -15.32 61.01 Favored 'General case' 0 N--CA 1.433 -1.317 0 CA-C-N 114.881 -1.054 . . . . 1.26 110.367 -179.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.592 ' HE2' ' HB3' ' A' ' 32' ' ' PHE . 31.1 tpp -81.05 -44.55 17.87 Favored 'General case' 0 N--CA 1.427 -1.589 0 CA-C-N 115.766 -0.652 . . . . 1.22 109.529 179.295 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 58.3 t -63.65 -41.11 91.5 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.336 0 N-CA-C 109.186 -0.672 . . . . 1.25 109.186 179.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -73.8 -29.88 62.42 Favored 'General case' 0 N--CA 1.425 -1.687 0 C-N-CA 120.437 -0.505 . . . . 2.08 112.054 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.581 HG22 HG21 ' A' ' 14' ' ' ILE . 4.7 p -68.65 -36.37 74.17 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 N-CA-C 109.329 -0.619 . . . . 1.21 109.329 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.521 HG22 ' O ' ' A' ' 43' ' ' MET . 86.8 t -62.0 -63.17 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-N 114.645 -1.162 . . . . 1.1 108.557 173.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 90.4 t -49.04 -46.7 17.23 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.205 0 CA-C-N 115.831 -0.622 . . . . 1.36 112.521 177.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.89 -33.96 77.03 Favored 'General case' 0 C--N 1.315 -0.925 0 O-C-N 121.892 -0.505 . . . . 1.13 112.021 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.85 -38.54 91.22 Favored 'General case' 0 C--O 1.244 0.774 0 N-CA-C 109.609 -0.515 . . . . 1.14 109.609 178.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.597 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 34.6 mt-10 -59.16 -47.43 85.32 Favored 'General case' 0 C--O 1.202 -1.417 0 CA-C-N 115.37 -0.832 . . . . 1.36 109.356 178.304 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -75.45 -28.23 59.22 Favored 'General case' 0 C--N 1.301 -1.538 0 CA-C-N 114.839 -1.073 . . . . 2.09 111.683 -175.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.5 tpm_? -74.53 -43.09 57.46 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.722 0.772 . . . . 3.27 109.815 -178.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.491 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 43.3 m-85 -101.28 -2.61 30.68 Favored 'General case' 0 C--N 1.305 -1.357 0 CA-C-N 115.303 -0.862 . . . . 1.11 111.55 -175.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.6 t70 70.84 -0.22 3.09 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 125.727 1.611 . . . . 2.02 111.584 178.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.597 ' O ' ' HA ' ' A' ' 51' ' ' GLU . 3.2 p -100.61 115.26 41.72 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-N 115.68 -0.691 . . . . 1.87 110.062 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.434 ' HZ3' ' CD ' ' A' ' 51' ' ' GLU . 31.2 mmmt -64.05 102.13 0.46 Allowed 'General case' 0 C--N 1.3 -1.544 0 CA-C-N 115.354 -0.839 . . . . 2.26 111.56 178.773 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.596 ' H ' ' HG2' ' A' ' 51' ' ' GLU . 50.7 mt -99.25 100.71 10.84 Favored Pre-proline 0 C--N 1.296 -1.72 0 N-CA-C 106.394 -1.706 . . . . 1.23 106.394 175.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.551 ' HD2' ' HB2' ' A' ' 62' ' ' ASP . 14.8 Cg_exo -66.74 147.51 81.35 Favored 'Trans proline' 0 N--CA 1.439 -1.705 0 C-N-CA 121.696 1.597 . . . . 0.76 111.766 -176.686 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.471 ' O ' HG11 ' A' ' 63' ' ' VAL . 3.7 p30 -58.92 -21.11 57.29 Favored 'General case' 0 C--O 1.213 -0.844 0 C-N-CA 123.444 0.698 . . . . 2.0 110.627 175.191 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.428 ' HA ' ' HE3' ' A' ' 64' ' ' LYS . 17.6 t70 -83.36 -35.22 25.31 Favored 'General case' 0 C--N 1.313 -0.979 0 C-N-CA 120.672 -0.411 . . . . 2.09 111.36 178.118 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.551 ' HB2' ' HD2' ' A' ' 59' ' ' PRO . 4.7 m-20 -78.44 -31.86 48.27 Favored 'General case' 0 CA--C 1.48 -1.723 0 O-C-N 122.12 -0.363 . . . . 1.58 111.3 177.016 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.499 HG22 HG23 ' A' ' 47' ' ' VAL . 2.5 p -59.83 -22.52 24.12 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.147 0 CA-C-O 121.605 0.717 . . . . 1.39 110.925 -178.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.428 ' HE3' ' HA ' ' A' ' 61' ' ' ASP . 94.1 mttt -61.84 -33.52 74.31 Favored 'General case' 0 N--CA 1.439 -0.98 0 CA-C-N 114.466 -1.243 . . . . 2.97 112.18 179.161 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 9.7 p-10 -88.54 -9.72 51.35 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 119.286 -0.966 . . . . 2.62 110.193 -178.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.82 HD13 ' HA ' ' A' ' 72' ' ' ALA . 51.0 mt -80.31 -61.96 1.82 Allowed 'General case' 0 N--CA 1.437 -1.108 0 N-CA-C 107.795 -1.187 . . . . 1.67 107.795 178.65 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.584 ' HA ' ' HE2' ' A' ' 67' ' ' LYS . 0.0 OUTLIER 69.14 -35.36 0.3 Allowed 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.184 1.393 . . . . 3.58 114.303 178.275 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.415 HG23 ' HA ' ' A' ' 31' ' ' SER . 36.9 p -114.21 169.79 8.76 Favored 'General case' 0 C--N 1.301 -1.536 0 CA-C-O 121.583 0.706 . . . . 1.09 112.578 -178.103 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.767 HG21 ' O ' ' A' ' 27' ' ' LYS . 3.4 m -61.93 -44.66 99.2 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.111 0 CA-C-N 113.895 -1.502 . . . . 1.15 109.438 171.59 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.435 ' H ' HG22 ' A' ' 69' ' ' VAL . . . -61.5 -49.35 77.9 Favored Glycine 0 N--CA 1.434 -1.497 0 CA-C-N 115.144 -0.935 . . . . 0.36 112.188 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.415 ' HA ' ' HB3' ' A' ' 74' ' ' LYS . 0.9 OUTLIER -69.36 -29.26 67.01 Favored 'General case' 0 CA--C 1.509 -0.627 0 CA-C-N 117.396 0.598 . . . . 1.79 111.967 178.434 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.82 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -60.94 -59.29 5.61 Favored 'General case' 0 C--O 1.222 -0.363 0 N-CA-C 108.463 -0.94 . . . . 1.08 108.463 174.529 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.517 ' HA ' HG23 ' A' ' 7' ' ' ILE . 76.7 m -48.31 -48.35 36.06 Favored 'General case' 0 C--O 1.189 -2.103 0 C-N-CA 123.938 0.895 . . . . 1.15 111.835 173.411 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.415 ' HB3' ' HA ' ' A' ' 71' ' ' ASP . 84.5 tttt -51.83 -42.74 62.79 Favored 'General case' 0 C--N 1.307 -1.257 0 C-N-CA 125.424 1.489 . . . . 3.35 111.319 177.118 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 57.8 t80 -70.08 -47.43 61.96 Favored 'General case' 0 C--O 1.212 -0.872 0 N-CA-C 108.854 -0.795 . . . . 1.19 108.854 179.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.535 HG12 HD12 ' A' ' 58' ' ' ILE . 67.7 mt -63.66 -45.83 96.39 Favored 'Isoleucine or valine' 0 C--O 1.194 -1.838 0 CA-C-N 114.983 -1.008 . . . . 1.07 110.532 -178.161 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 48.4 tp -57.36 -32.27 66.58 Favored 'General case' 0 C--N 1.313 -1.004 0 C-N-CA 123.826 0.85 . . . . 1.76 110.633 179.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -88.23 -36.21 16.88 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 121.687 0.756 . . . . 0.67 111.447 179.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.489 ' HB3' HG23 ' A' ' 56' ' ' VAL . 15.9 m-70 -92.46 5.35 51.1 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 114.033 1.123 . . . . 1.87 114.033 -175.199 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.447 ' NE2' HG23 ' A' ' 76' ' ' ILE . 79.8 mm-40 -33.49 130.69 0.25 Allowed 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 125.976 1.711 . . . . 1.31 114.716 178.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.482 0 N-CA-C 107.873 -1.158 . . . . 2.36 107.873 179.187 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.439 ' O ' HG13 ' A' ' 7' ' ' ILE . 19.1 p . . . . . 0 N--CA 1.426 -1.643 0 N-CA-C 108.188 -1.042 . . . . 1.6 108.188 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -43.51 -37.67 2.55 Favored 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 114.144 1.164 . . . . 1.66 114.144 -176.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -69.03 -31.0 69.47 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 111.68 0.252 . . . . 2.3 111.68 -178.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.6 tp10 -73.8 -34.1 64.49 Favored 'General case' 0 C--N 1.314 -0.976 0 N-CA-C 108.362 -0.977 . . . . 1.92 108.362 -179.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.449 ' HB ' HG23 ' A' ' 73' ' ' THR . 18.3 mt -67.76 -56.4 13.23 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.382 0 CA-C-N 114.6 -1.182 . . . . 1.08 108.307 179.019 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.763 HG21 HD11 ' A' ' 28' ' ' LEU . 57.5 t -54.16 -41.04 49.4 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.017 0 CA-C-N 115.99 -0.55 . . . . 1.1 111.103 176.222 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.58 -33.64 76.38 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-O 121.163 0.506 . . . . 1.08 110.245 177.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.06 -43.48 90.5 Favored Glycine 0 N--CA 1.436 -1.314 0 N-CA-C 110.108 -1.197 . . . . 0.31 110.108 176.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.465 ' O ' HG21 ' A' ' 15' ' ' VAL . 96.6 mt -59.63 -48.44 81.64 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 109.161 -0.681 . . . . 1.02 109.161 176.111 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.34 -44.06 71.78 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 114.835 -1.075 . . . . 1.08 112.258 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -68.25 -37.71 81.04 Favored 'General case' 0 CA--C 1.517 -0.326 0 C-N-CA 119.953 -0.699 . . . . 1.46 111.941 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 95.4 mt -62.86 -49.18 84.68 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.186 0 N-CA-C 109.161 -0.681 . . . . 1.16 109.161 176.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.465 HG21 ' O ' ' A' ' 11' ' ' LEU . 96.5 t -57.9 -48.96 82.67 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.263 0 CA-C-N 115.718 -0.673 . . . . 1.1 110.184 178.025 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -63.53 -32.59 74.09 Favored 'General case' 0 C--N 1.302 -1.498 0 CA-C-O 121.168 0.508 . . . . 0.64 111.509 -179.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -74.46 -44.56 51.07 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 115.885 -0.598 . . . . 2.0 110.725 -179.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.617 HG22 ' HB2' ' A' ' 45' ' ' GLU . 72.8 mt -98.24 -52.73 8.69 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 N-CA-C 113.049 0.759 . . . . 1.1 113.049 -173.381 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.668 ' HB1' HG11 ' A' ' 38' ' ' VAL . . . -74.89 -40.52 60.87 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 109.135 -0.691 . . . . 0.93 109.135 179.556 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.4 3.31 61.44 Favored Glycine 0 N--CA 1.451 -0.366 0 CA-C-N 115.046 -0.979 . . . . 0.46 111.14 -179.165 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.446 ' HA ' ' HD2' ' A' ' 22' ' ' PRO . 50.6 mm -81.8 137.31 47.26 Favored Pre-proline 0 C--N 1.311 -1.074 0 C-N-CA 123.641 0.776 . . . . 1.2 110.286 -176.477 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.446 ' HD2' ' HA ' ' A' ' 21' ' ' ILE . 6.3 Cg_exo -33.91 128.71 0.17 Allowed 'Trans proline' 0 C--N 1.359 1.103 1 C-N-CA 125.729 4.286 . . . . 0.47 115.426 175.137 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 66.5 t -57.45 -37.55 58.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 113.825 -1.534 . . . . 1.4 108.284 178.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.562 ' O ' ' HE2' ' A' ' 27' ' ' LYS . 9.3 pt-20 -97.83 11.05 38.57 Favored 'General case' 0 N--CA 1.41 -2.451 0 N-CA-C 114.915 1.45 . . . . 2.34 114.915 -176.371 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.516 ' O ' ' HE3' ' A' ' 30' ' ' LYS . 17.8 t70 -91.74 -12.87 32.7 Favored 'General case' 0 C--O 1.211 -0.95 0 N-CA-C 105.679 -1.971 . . . . 0.69 105.679 169.613 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 50.7 t -80.24 78.85 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.049 0 CA-C-N 113.64 -1.618 . . . . 1.17 109.34 179.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.717 ' O ' HG21 ' A' ' 69' ' ' VAL . 74.2 mmtt -92.91 -160.55 0.76 Allowed 'General case' 0 C--O 1.2 -1.507 0 N-CA-C 105.996 -1.853 . . . . 2.23 105.996 175.242 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.763 HD11 HG21 ' A' ' 8' ' ' VAL . 10.9 mp -104.71 10.85 34.56 Favored 'General case' 0 N--CA 1.485 1.288 0 CA-C-N 119.275 0.943 . . . . 1.7 112.624 179.461 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -110.64 13.8 22.45 Favored 'General case' 0 C--N 1.28 -2.427 0 N-CA-C 108.014 -1.106 . . . . 2.11 108.014 -179.235 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.585 ' O ' HG23 ' A' ' 69' ' ' VAL . 66.1 mmtt -105.62 118.65 37.13 Favored 'General case' 0 N--CA 1.423 -1.78 0 CA-C-N 114.449 -1.25 . . . . 1.65 114.223 -170.386 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.649 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 14.6 m -91.23 112.39 24.28 Favored 'General case' 0 N--CA 1.394 -3.246 0 N-CA-C 106.351 -1.722 . . . . 1.66 106.351 170.661 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.769 ' HA ' HD12 ' A' ' 36' ' ' LEU . 97.4 m-85 -34.57 -83.09 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.867 1.267 . . . . 0.61 113.911 177.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.544 HG22 ' HB ' ' A' ' 38' ' ' VAL . 0.7 OUTLIER -79.79 56.16 2.22 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 114.843 1.423 . . . . 1.08 114.843 177.569 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.649 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 14.3 t70 -158.51 -66.15 0.09 Allowed 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 114.768 -1.106 . . . . 0.73 110.166 177.127 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -90.99 -44.44 9.33 Favored 'General case' 0 CA--C 1.501 -0.913 0 CA-C-N 116.266 -0.425 . . . . 1.46 109.984 -175.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.769 HD12 ' HA ' ' A' ' 32' ' ' PHE . 96.6 mt -69.71 -40.02 76.53 Favored 'General case' 0 CA--C 1.511 -0.531 0 N-CA-C 109.225 -0.657 . . . . 1.12 109.225 178.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.7 t70 68.92 83.63 0.16 Allowed 'General case' 0 CA--C 1.509 -0.628 0 C-N-CA 124.897 1.279 . . . . 1.14 109.718 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.668 HG11 ' HB1' ' A' ' 19' ' ' ALA . 95.9 t -91.15 -89.33 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.298 -1.671 0 CA-C-N 114.222 -1.354 . . . . 2.39 109.671 -176.533 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.1 t70 164.59 177.95 0.02 OUTLIER 'General case' 0 CA--C 1.504 -0.809 0 N-CA-C 103.147 -2.909 . . . . 0.79 103.147 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.432 ' O ' HG21 ' A' ' 44' ' ' VAL . 23.9 t -93.91 -37.13 11.86 Favored 'General case' 0 C--N 1.27 -2.85 0 N-CA-C 109.14 -0.689 . . . . 1.37 109.14 -176.362 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 97.0 mt -78.5 -32.66 48.25 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 108.469 -0.938 . . . . 1.58 108.469 -177.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.535 ' OG ' HG21 ' A' ' 18' ' ' ILE . 24.7 t -70.94 -34.99 72.02 Favored 'General case' 0 N--CA 1.419 -1.976 0 CA-C-N 113.895 -1.502 . . . . 1.26 107.868 178.61 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.608 ' HE1' ' HB3' ' A' ' 32' ' ' PHE . 26.4 tpp -64.21 -43.38 95.19 Favored 'General case' 0 C--O 1.215 -0.732 0 CA-C-N 116.094 -0.503 . . . . 1.22 110.835 179.28 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.432 HG21 ' O ' ' A' ' 40' ' ' SER . 57.4 t -59.04 -37.72 69.62 Favored 'Isoleucine or valine' 0 C--O 1.236 0.379 0 N-CA-C 109.611 -0.515 . . . . 1.25 109.611 178.079 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.617 ' HB2' HG22 ' A' ' 18' ' ' ILE . 44.0 mt-10 -68.05 -43.45 78.65 Favored 'General case' 0 N--CA 1.433 -1.289 0 N-CA-C 109.631 -0.507 . . . . 2.08 109.631 177.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 42' ' ' SER . 99.3 t -56.28 -49.72 75.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 O-C-N 123.747 0.655 . . . . 1.21 109.641 177.591 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.61 HG11 HG21 ' A' ' 63' ' ' VAL . 76.8 t -51.88 -63.27 0.47 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.617 0 O-C-N 123.871 0.732 . . . . 1.1 110.075 176.641 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 92.3 t -53.32 -46.0 56.97 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.488 0 N-CA-C 112.346 0.498 . . . . 1.36 112.346 178.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.37 -32.63 74.32 Favored 'General case' 0 C--N 1.321 -0.643 0 O-C-N 121.96 -0.462 . . . . 1.13 112.054 -178.23 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.69 -39.59 89.07 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-O 120.98 0.419 . . . . 1.14 110.479 178.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.611 ' HG2' ' H ' ' A' ' 58' ' ' ILE . 41.7 mt-10 -63.79 -32.41 73.91 Favored 'General case' 0 C--O 1.202 -1.4 0 CA-C-N 115.461 -0.79 . . . . 1.36 110.454 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -83.27 -39.69 20.53 Favored 'General case' 0 C--N 1.292 -1.902 0 CA-C-O 121.577 0.703 . . . . 2.09 109.723 -177.019 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.3 tpm_? -68.55 -39.16 81.2 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.147 -0.933 . . . . 3.27 110.07 -175.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.476 ' CE2' HD12 ' A' ' 76' ' ' ILE . 48.2 m-85 -108.02 -1.42 20.54 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 115.455 -0.793 . . . . 1.11 112.261 -176.161 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.7 t70 72.58 -13.9 0.61 Allowed 'General case' 0 N--CA 1.497 1.883 0 C-N-CA 124.535 1.134 . . . . 2.02 113.191 178.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.581 ' O ' ' HA ' ' A' ' 51' ' ' GLU . 7.6 p -94.41 124.34 46.86 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.204 0 O-C-N 121.86 -0.525 . . . . 1.87 110.496 -177.16 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -71.8 126.03 28.67 Favored 'General case' 0 C--N 1.304 -1.401 0 CA-C-N 115.288 -0.869 . . . . 2.26 110.261 -178.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.739 HG22 HG22 ' A' ' 63' ' ' VAL . 28.7 mt -136.85 93.23 13.84 Favored Pre-proline 0 C--N 1.301 -1.543 0 N-CA-C 106.396 -1.705 . . . . 1.23 106.396 -178.341 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -73.58 156.53 49.44 Favored 'Trans proline' 0 N--CA 1.447 -1.256 0 C-N-CA 121.593 1.528 . . . . 0.76 111.458 -179.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.459 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 3.1 t70 -41.88 -39.29 1.77 Allowed 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 124.772 1.229 . . . . 2.0 111.949 175.112 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -62.1 -38.7 89.88 Favored 'General case' 0 C--N 1.309 -1.157 0 CA-C-N 114.902 -1.045 . . . . 2.09 111.755 -176.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -85.94 -33.35 21.19 Favored 'General case' 0 N--CA 1.485 1.294 0 CA-C-O 121.618 0.723 . . . . 1.58 109.424 176.683 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.739 HG22 HG22 ' A' ' 58' ' ' ILE . 1.4 t -56.49 -27.4 24.81 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.396 0 CA-C-N 114.589 -1.187 . . . . 1.39 111.553 176.357 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.459 ' HG2' ' O ' ' A' ' 60' ' ' ASP . 60.5 mmtt -58.58 -28.9 65.99 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.937 -0.574 . . . . 2.97 111.655 177.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -85.65 -11.61 53.42 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-O 121.431 0.634 . . . . 2.62 109.777 -175.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.529 HD11 ' HA ' ' A' ' 72' ' ' ALA . 67.5 mt -76.63 -60.48 2.33 Favored 'General case' 0 C--O 1.204 -1.3 0 C-N-CA 120.608 -0.437 . . . . 1.67 111.674 -175.617 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . 0.404 0.1 OUTLIER 57.85 -17.29 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.897 0 N-CA-C 117.099 2.259 . . . . 3.58 117.099 -179.365 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 22.5 p -140.73 170.29 16.04 Favored 'General case' 0 C--O 1.241 0.613 0 CA-C-O 121.417 0.627 . . . . 1.09 111.56 175.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.717 HG21 ' O ' ' A' ' 27' ' ' LYS . 4.0 m -62.37 -44.35 99.12 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 CA-C-N 114.575 -1.193 . . . . 1.15 110.619 174.023 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.441 ' N ' HG22 ' A' ' 69' ' ' VAL . . . -59.04 -45.8 94.7 Favored Glycine 0 N--CA 1.442 -0.922 0 CA-C-N 115.452 -0.794 . . . . 0.36 112.676 -179.685 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.436 ' HA ' ' HB3' ' A' ' 74' ' ' LYS . 1.4 m-20 -71.11 -34.54 71.19 Favored 'General case' 0 CA--C 1.494 -1.207 0 CA-C-N 117.234 0.517 . . . . 1.79 111.698 178.017 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.529 ' HA ' HD11 ' A' ' 66' ' ' LEU . . . -55.03 -59.12 5.18 Favored 'General case' 0 CA--C 1.516 -0.357 0 N-CA-C 108.061 -1.088 . . . . 1.08 108.061 175.053 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.449 HG23 ' HB ' ' A' ' 7' ' ' ILE . 51.4 m -48.27 -51.66 24.76 Favored 'General case' 0 C--O 1.192 -1.921 0 C-N-CA 123.993 0.917 . . . . 1.15 111.846 171.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.436 ' HB3' ' HA ' ' A' ' 71' ' ' ASP . 50.4 tptt -50.62 -41.57 55.1 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.249 0.62 . . . . 3.35 111.763 178.77 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.505 ' O ' ' HB2' ' A' ' 79' ' ' HIS . 45.4 t80 -69.27 -53.92 17.28 Favored 'General case' 0 C--O 1.202 -1.404 0 N-CA-C 107.924 -1.139 . . . . 1.19 107.924 -178.386 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.476 HD12 ' CE2' ' A' ' 54' ' ' PHE . 71.5 mt -54.23 -54.82 18.19 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.315 0 C-N-CA 124.447 1.099 . . . . 1.07 110.592 178.609 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 61.5 tp -48.57 -48.61 38.69 Favored 'General case' 0 C--N 1.318 -0.794 0 C-N-CA 124.3 1.04 . . . . 1.76 111.459 -179.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -84.54 -34.56 23.25 Favored 'General case' 0 C--N 1.302 -1.472 0 CA-C-N 115.223 -0.899 . . . . 0.67 112.604 -174.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.505 ' HB2' ' O ' ' A' ' 75' ' ' TYR . 36.3 m-70 -96.24 -7.6 35.13 Favored 'General case' 0 C--N 1.305 -1.351 0 N-CA-C 115.086 1.513 . . . . 1.87 115.086 -171.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -70.69 172.85 7.99 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 114.441 1.274 . . . . 1.31 114.441 -173.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.428 -1.556 0 CA-C-N 114.482 -1.235 . . . . 2.36 110.063 -175.481 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.431 ' O ' HG13 ' A' ' 7' ' ' ILE . 4.6 m . . . . . 0 N--CA 1.418 -2.04 0 N-CA-C 106.209 -1.775 . . . . 1.6 106.209 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.563 ' HA ' HD12 ' A' ' 7' ' ' ILE . 17.6 mt-30 -45.02 -42.5 8.45 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 114.124 1.157 . . . . 1.66 114.124 -172.337 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -65.59 -41.32 92.96 Favored 'General case' 0 C--O 1.2 -1.551 0 N-CA-C 110.247 -0.279 . . . . 2.3 110.247 179.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -68.86 -21.93 64.24 Favored 'General case' 0 C--N 1.313 -1.018 0 C-N-CA 123.503 0.721 . . . . 1.92 110.402 179.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.563 HD12 ' HA ' ' A' ' 4' ' ' GLN . 41.4 mt -69.79 -59.1 3.89 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.824 0 N-CA-C 106.917 -1.512 . . . . 1.08 106.917 174.276 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.587 ' HA ' HD12 ' A' ' 11' ' ' LEU . 66.3 t -56.6 -41.54 73.89 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.067 0 CA-C-N 115.408 -0.815 . . . . 1.1 110.35 177.277 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.72 -38.88 92.77 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 122.938 0.495 . . . . 1.08 110.723 176.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.75 -48.02 86.7 Favored Glycine 0 CA--C 1.495 -1.167 0 N-CA-C 109.819 -1.312 . . . . 0.31 109.819 175.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.587 HD12 ' HA ' ' A' ' 8' ' ' VAL . 97.6 mt -56.24 -46.32 79.63 Favored 'General case' 0 N--CA 1.436 -1.134 0 C-N-CA 123.524 0.73 . . . . 1.02 109.659 175.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.627 ' HB2' ' HA ' ' A' ' 23' ' ' VAL . . . -58.21 -43.58 87.71 Favored 'General case' 0 C--N 1.315 -0.926 0 C-N-CA 124.111 0.964 . . . . 1.08 112.248 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.479 ' HA ' HG23 ' A' ' 23' ' ' VAL . 10.7 pt-20 -73.33 -28.73 62.23 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 112.9 0.704 . . . . 1.46 112.9 -179.706 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 89.9 mt -67.81 -50.78 56.87 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.194 0 N-CA-C 108.183 -1.043 . . . . 1.16 108.183 172.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.641 HG12 ' HB ' ' A' ' 21' ' ' ILE . 84.2 t -60.24 -35.54 62.73 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.566 0 CA-C-N 115.462 -0.79 . . . . 1.1 110.691 177.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.484 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 3.9 t-20 -60.04 -39.17 85.01 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-O 121.077 0.465 . . . . 0.64 110.336 178.138 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -79.91 -52.07 8.33 Favored 'General case' 0 C--N 1.306 -1.293 0 CA-C-N 115.34 -0.845 . . . . 2.0 111.742 -176.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.674 HG21 ' HB3' ' A' ' 42' ' ' SER . 68.8 mt -82.16 -53.5 11.74 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 N-CA-C 112.094 0.405 . . . . 1.1 112.094 -174.397 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.743 ' HB1' HG13 ' A' ' 38' ' ' VAL . . . -77.74 -37.87 48.27 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.289 0.566 . . . . 0.93 110.045 -178.399 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.41 28.83 10.86 Favored Glycine 0 N--CA 1.446 -0.663 0 N-CA-C 110.797 -0.921 . . . . 0.46 110.797 -178.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.641 ' HB ' HG12 ' A' ' 15' ' ' VAL . 51.5 mm -108.47 126.81 28.71 Favored Pre-proline 0 C--N 1.316 -0.879 0 N-CA-C 109.541 -0.54 . . . . 1.2 109.541 -177.424 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.505 ' HD2' ' HA ' ' A' ' 21' ' ' ILE . 2.9 Cg_exo -34.93 135.49 0.15 Allowed 'Trans proline' 0 N--CA 1.457 -0.652 1 C-N-CA 125.481 4.121 . . . . 0.47 115.094 175.846 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.627 ' HA ' ' HB2' ' A' ' 12' ' ' ALA . 29.7 t -65.95 -5.12 2.66 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 CA-C-N 114.366 -1.288 . . . . 1.4 109.318 177.309 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.44 ' H ' ' C ' ' A' ' 22' ' ' PRO . 8.6 pt-20 -105.2 -20.46 13.5 Favored 'General case' 0 N--CA 1.422 -1.869 0 CA-C-N 114.82 -1.082 . . . . 2.34 111.346 -178.462 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -84.15 -28.19 27.58 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 108.771 -0.826 . . . . 0.69 108.771 -175.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.522 HG21 HD12 ' A' ' 36' ' ' LEU . 88.2 t -84.82 81.4 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.262 0 CA-C-N 113.565 -1.652 . . . . 1.17 109.501 -178.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.581 ' O ' HG22 ' A' ' 69' ' ' VAL . 13.2 pttm -113.98 168.37 9.87 Favored 'General case' 0 C--N 1.289 -2.052 0 CA-C-N 114.139 -1.392 . . . . 2.23 108.21 176.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.73 ' HA ' HG23 ' A' ' 69' ' ' VAL . 4.9 tt -67.42 6.03 0.67 Allowed 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 115.408 1.633 . . . . 1.7 115.408 -166.779 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -110.58 13.59 22.56 Favored 'General case' 0 C--N 1.28 -2.436 0 O-C-N 121.117 -0.99 . . . . 2.11 108.922 179.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.535 ' HB3' ' HG ' ' A' ' 36' ' ' LEU . 70.2 mmtt -113.2 135.03 54.26 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 114.153 1.168 . . . . 1.65 114.153 -172.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.642 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 16.0 m -94.81 117.72 30.59 Favored 'General case' 0 N--CA 1.402 -2.851 0 N-CA-C 107.105 -1.443 . . . . 1.66 107.105 171.714 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.8 ' HA ' HD13 ' A' ' 36' ' ' LEU . 98.4 m-85 -39.89 -88.47 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 114.208 1.188 . . . . 0.61 114.208 177.772 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.71 HG21 ' HB ' ' A' ' 38' ' ' VAL . 0.3 OUTLIER -80.22 59.24 3.29 Favored 'General case' 0 C--N 1.313 -0.996 0 O-C-N 121.73 -0.606 . . . . 1.08 112.424 178.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -165.52 -65.97 0.03 OUTLIER 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 115.482 -0.781 . . . . 0.73 110.25 179.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -91.96 -49.9 5.99 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 116.14 -0.482 . . . . 1.46 109.789 -174.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.8 HD13 ' HA ' ' A' ' 32' ' ' PHE . 89.1 mt -65.84 -43.6 88.01 Favored 'General case' 0 CA--C 1.499 -1.015 0 CA-C-N 115.592 -0.731 . . . . 1.12 110.006 178.419 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.6 t70 73.57 94.38 0.08 Allowed 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 113.253 -1.794 . . . . 1.14 110.607 -175.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.743 HG13 ' HB1' ' A' ' 19' ' ' ALA . 69.8 t -87.62 -78.51 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.912 0 N-CA-C 107.258 -1.386 . . . . 2.39 107.258 177.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -179.58 -91.97 0.0 OUTLIER 'General case' 0 C--N 1.29 -1.987 0 CA-C-N 114.274 -1.33 . . . . 0.79 109.272 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.3 t 175.44 -59.04 0.01 OUTLIER 'General case' 0 N--CA 1.431 -1.39 0 N-CA-C 106.839 -1.541 . . . . 1.37 106.839 -176.046 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 84.2 mt -79.26 -32.57 43.75 Favored 'General case' 0 C--N 1.306 -1.313 0 CA-C-O 122.035 0.921 . . . . 1.58 108.863 -175.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.674 ' HB3' HG21 ' A' ' 18' ' ' ILE . 42.6 m -69.93 -14.63 62.81 Favored 'General case' 0 N--CA 1.432 -1.365 0 CA-C-N 114.028 -1.442 . . . . 1.26 110.664 178.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.604 ' HE1' ' HB3' ' A' ' 32' ' ' PHE . 29.5 tpp -67.2 -46.79 72.84 Favored 'General case' 0 N--CA 1.429 -1.507 0 CA-C-N 116.181 -0.463 . . . . 1.22 111.681 -178.346 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 59.0 t -65.85 -23.87 33.13 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.13 0 CA-C-N 115.948 -0.569 . . . . 1.25 110.384 -177.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.569 ' HB2' HG22 ' A' ' 18' ' ' ILE . 5.7 mm-40 -72.39 -38.22 68.53 Favored 'General case' 0 N--CA 1.437 -1.08 0 N-CA-C 108.007 -1.109 . . . . 2.08 108.007 178.513 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.452 HG22 ' O ' ' A' ' 42' ' ' SER . 84.0 t -64.02 -46.6 93.43 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-N 115.267 -0.878 . . . . 1.21 108.944 178.04 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 43' ' ' MET . 60.2 t -52.55 -63.37 0.48 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.404 0 O-C-N 124.056 0.848 . . . . 1.1 109.137 177.277 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.415 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 91.8 t -48.38 -46.58 14.29 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.666 0 CA-C-N 115.937 -0.574 . . . . 1.36 112.222 174.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.87 -32.78 74.48 Favored 'General case' 0 C--O 1.241 0.607 0 N-CA-C 112.763 0.653 . . . . 1.13 112.763 -178.02 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.57 -35.48 81.13 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 122.423 0.289 . . . . 1.14 110.349 178.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.574 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 31.8 mt-10 -59.67 -43.63 93.91 Favored 'General case' 0 C--O 1.219 -0.552 0 CA-C-O 121.422 0.629 . . . . 1.36 110.078 179.387 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -73.53 -33.59 64.8 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 115.026 -0.988 . . . . 2.09 111.198 -178.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 27.3 tpt180 -76.03 -35.24 59.58 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-O 121.097 0.475 . . . . 3.27 111.064 -174.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.481 ' CE2' HD11 ' A' ' 76' ' ' ILE . 35.5 m-85 -108.71 -3.9 17.45 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 112.686 0.625 . . . . 1.11 112.686 -175.176 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.3 t70 72.65 1.16 3.89 Favored 'General case' 0 N--CA 1.494 1.74 0 C-N-CA 125.39 1.476 . . . . 2.02 111.738 178.286 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.574 ' O ' ' HA ' ' A' ' 51' ' ' GLU . 3.2 p -104.0 121.63 55.8 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.333 0 CA-C-N 115.68 -0.691 . . . . 1.87 109.733 -179.583 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.437 ' HE2' ' OE2' ' A' ' 51' ' ' GLU . 14.7 mmmm -68.91 131.14 44.62 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 115.821 -0.627 . . . . 2.26 109.403 179.633 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.539 ' H ' ' HG2' ' A' ' 51' ' ' GLU . 37.5 mt -128.32 99.67 24.03 Favored Pre-proline 0 C--N 1.3 -1.566 0 N-CA-C 106.785 -1.561 . . . . 1.23 106.785 -177.438 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -77.03 141.41 20.99 Favored 'Trans proline' 0 N--CA 1.443 -1.445 0 C-N-CA 121.686 1.59 . . . . 0.76 113.365 -176.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.615 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 5.5 t70 -36.65 -37.69 0.14 Allowed 'General case' 0 C--O 1.205 -1.238 0 C-N-CA 126.1 1.76 . . . . 2.0 113.802 172.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -81.23 -30.67 34.12 Favored 'General case' 0 C--N 1.309 -1.17 0 N-CA-C 113.182 0.808 . . . . 2.09 113.182 -177.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -86.4 -32.19 21.04 Favored 'General case' 0 C--N 1.306 -1.287 0 N-CA-C 107.875 -1.157 . . . . 1.58 107.875 -178.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.576 HG13 ' O ' ' A' ' 60' ' ' ASP . 1.4 p -61.26 -21.6 25.3 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.01 0 CA-C-N 114.583 -1.19 . . . . 1.39 110.381 179.383 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.615 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 95.1 mttt -62.97 -10.39 13.52 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.155 0.982 . . . . 2.97 112.708 177.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -88.48 -24.13 23.06 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 108.405 -0.961 . . . . 2.62 108.405 178.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.809 HD13 ' HA ' ' A' ' 72' ' ' ALA . 12.1 mt -96.15 112.33 24.1 Favored 'General case' 0 N--CA 1.411 -2.377 0 N-CA-C 107.956 -1.127 . . . . 1.67 107.956 -173.796 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.541 ' HD2' ' OD2' ' A' ' 71' ' ' ASP 0.277 0.0 OUTLIER -110.38 -28.49 8.54 Favored 'General case' 0 C--N 1.287 -2.149 0 N-CA-C 113.06 0.763 . . . . 3.58 113.06 176.901 . . . . . . . . 4 4 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.642 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 72.9 p -104.16 176.61 5.1 Favored 'General case' 0 N--CA 1.436 -1.154 0 C-N-CA 119.369 -0.932 . . . . 1.09 110.817 173.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.73 HG23 ' HA ' ' A' ' 28' ' ' LEU . 15.9 m -69.55 -33.64 57.92 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.587 0 CA-C-N 114.542 -1.208 . . . . 1.15 108.958 172.36 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -66.54 -36.78 91.93 Favored Glycine 0 N--CA 1.435 -1.418 0 CA-C-N 115.327 -0.852 . . . . 0.36 111.191 176.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.547 ' HB3' ' HA ' ' A' ' 66' ' ' LEU . 26.1 m-20 -67.36 -45.04 77.49 Favored 'General case' 0 CA--C 1.486 -1.504 0 N-CA-C 110.015 -0.365 . . . . 1.79 110.015 176.061 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.809 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -52.99 -59.13 4.93 Favored 'General case' 0 CA--C 1.515 -0.368 0 N-CA-C 108.629 -0.878 . . . . 1.08 108.629 176.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 44.0 m -48.56 -44.29 36.47 Favored 'General case' 0 C--O 1.19 -2.075 0 C-N-CA 123.854 0.862 . . . . 1.15 112.084 172.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.498 ' HB3' ' O ' ' A' ' 71' ' ' ASP . 26.2 ttpp -52.48 -39.63 61.43 Favored 'General case' 0 N--CA 1.484 1.255 0 CA-C-N 118.651 0.66 . . . . 3.35 111.317 176.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.577 ' HB2' HD21 ' A' ' 66' ' ' LEU . 60.5 t80 -76.76 -56.75 4.33 Favored 'General case' 0 C--O 1.2 -1.53 0 N-CA-C 108.194 -1.039 . . . . 1.19 108.194 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.538 HG21 ' NE2' ' A' ' 80' ' ' GLN . 70.0 mt -56.54 -52.01 58.33 Favored 'Isoleucine or valine' 0 C--O 1.188 -2.175 0 C-N-CA 124.662 1.185 . . . . 1.07 111.432 -175.779 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.542 ' HA ' HE21 ' A' ' 80' ' ' GLN . 35.1 tp -58.62 -34.31 71.01 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.084 0.553 . . . . 1.76 111.925 -178.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -88.04 -31.38 19.32 Favored 'General case' 0 C--N 1.299 -1.619 0 CA-C-O 122.212 1.006 . . . . 0.67 110.514 -177.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 22.5 m-70 -97.15 5.79 49.59 Favored 'General case' 0 C--N 1.295 -1.785 0 CA-C-N 114.663 -1.153 . . . . 1.87 112.391 -176.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.542 HE21 ' HA ' ' A' ' 77' ' ' LEU . 77.2 mm-40 -42.03 140.98 0.96 Allowed 'General case' 0 C--O 1.241 0.632 0 C-N-CA 124.394 1.078 . . . . 1.31 113.274 177.565 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.424 -1.77 0 CA-C-N 114.773 -1.103 . . . . 2.36 108.317 175.941 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.687 HG23 ' HG2' ' A' ' 5' ' ' GLU . 7.5 m . . . . . 0 N--CA 1.43 -1.448 0 N-CA-C 109.259 -0.645 . . . . 1.6 109.259 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -53.23 -36.82 61.47 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.811 0.845 . . . . 1.66 112.074 -176.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.687 ' HG2' HG23 ' A' ' 3' ' ' THR . 10.8 pt-20 -73.06 -26.56 61.33 Favored 'General case' 0 C--N 1.302 -1.495 0 CA-C-N 115.618 -0.719 . . . . 2.3 110.849 -178.643 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.421 ' HB3' ' O ' ' A' ' 3' ' ' THR . 33.9 tt0 -73.01 -35.75 66.86 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 107.769 -1.197 . . . . 1.92 107.769 177.641 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.569 HG13 ' O ' ' A' ' 3' ' ' THR . 22.3 mt -66.94 -53.58 32.86 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.589 0 CA-C-N 114.261 -1.336 . . . . 1.08 107.977 177.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.782 HG21 HD11 ' A' ' 28' ' ' LEU . 58.5 t -57.62 -37.47 59.02 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.236 0 CA-C-N 116.192 -0.458 . . . . 1.1 111.937 177.143 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.2 -38.64 91.96 Favored 'General case' 0 C--O 1.243 0.736 0 CA-C-O 121.165 0.507 . . . . 1.08 110.056 176.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.95 -42.32 85.78 Favored Glycine 0 N--CA 1.436 -1.319 0 N-CA-C 110.673 -0.971 . . . . 0.31 110.673 178.017 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.482 ' O ' HG21 ' A' ' 15' ' ' VAL . 95.4 mt -60.74 -49.09 78.91 Favored 'General case' 0 C--N 1.307 -1.263 0 N-CA-C 110.175 -0.305 . . . . 1.02 110.175 175.746 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.49 -43.1 75.28 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 123.94 0.896 . . . . 1.08 112.393 -178.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -64.44 -39.05 93.08 Favored 'General case' 0 C--O 1.239 0.519 0 C-N-CA 120.503 -0.479 . . . . 1.46 111.484 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 91.3 mt -64.55 -52.11 59.14 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.129 0 CA-C-N 115.565 -0.743 . . . . 1.16 109.032 176.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.482 HG21 ' O ' ' A' ' 11' ' ' LEU . 95.5 t -54.96 -47.61 76.24 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.901 0 CA-C-N 115.092 -0.958 . . . . 1.1 111.18 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -63.57 -30.71 71.79 Favored 'General case' 0 C--N 1.301 -1.522 0 C-N-CA 120.68 -0.408 . . . . 0.64 111.372 -179.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -76.76 -47.25 22.28 Favored 'General case' 0 C--N 1.31 -1.144 0 CA-C-N 116.018 -0.537 . . . . 2.0 110.823 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.57 HG23 ' HB2' ' A' ' 45' ' ' GLU . 69.4 mt -93.9 -53.9 7.88 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.941 0 N-CA-C 112.584 0.587 . . . . 1.1 112.584 -174.391 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.463 ' CB ' HG13 ' A' ' 38' ' ' VAL . . . -75.57 -30.93 59.83 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-O 120.826 0.346 . . . . 0.93 110.535 -177.5 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 82.03 22.22 59.71 Favored Glycine 0 N--CA 1.447 -0.575 0 CA-C-N 115.253 -0.885 . . . . 0.46 111.758 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.676 HG22 HD21 ' A' ' 36' ' ' LEU . 50.1 mm -101.34 136.63 19.62 Favored Pre-proline 0 C--N 1.307 -1.269 0 CA-C-N 115.845 -0.177 . . . . 1.2 110.597 -176.361 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.496 ' HD2' ' HA ' ' A' ' 21' ' ' ILE . 5.5 Cg_exo -33.06 123.58 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.211 1 C-N-CA 125.882 4.388 . . . . 0.47 114.565 173.688 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 61.3 t -56.0 -38.19 51.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.65 0 CA-C-N 114.082 -1.417 . . . . 1.4 109.55 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.301 48.5 mt-10 -97.31 2.4 50.64 Favored 'General case' 0 N--CA 1.42 -1.948 0 N-CA-C 114.634 1.346 . . . . 2.34 114.634 -176.623 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.557 ' HA ' ' HZ2' ' A' ' 27' ' ' LYS . 33.2 t70 -86.45 -23.09 26.15 Favored 'General case' 0 CA--C 1.498 -1.05 0 N-CA-C 106.961 -1.496 . . . . 0.69 106.961 170.556 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.611 HG12 HG13 ' A' ' 69' ' ' VAL . 41.8 t -70.11 74.07 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.892 0 CA-C-N 114.21 -1.359 . . . . 1.17 109.867 175.724 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.699 ' O ' HG23 ' A' ' 69' ' ' VAL . 46.9 mttp -100.7 177.46 4.99 Favored 'General case' 0 C--O 1.2 -1.513 0 N-CA-C 105.544 -2.021 . . . . 2.23 105.544 175.652 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.782 HD11 HG21 ' A' ' 8' ' ' VAL . 9.7 mp -78.62 0.45 26.36 Favored 'General case' 0 C--N 1.29 -2.004 0 N-CA-C 115.738 1.755 . . . . 1.7 115.738 -170.337 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -104.88 10.9 34.2 Favored 'General case' 0 C--N 1.278 -2.506 0 N-CA-C 108.976 -0.75 . . . . 2.11 108.976 -179.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.489 ' O ' HG22 ' A' ' 69' ' ' VAL . 74.9 mmtt -97.65 110.85 23.34 Favored 'General case' 0 N--CA 1.418 -2.054 0 CA-C-N 114.84 -1.073 . . . . 1.65 112.511 -174.678 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.626 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 50.3 m -85.77 114.07 22.44 Favored 'General case' 0 N--CA 1.394 -3.231 0 N-CA-C 106.546 -1.649 . . . . 1.66 106.546 171.297 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.646 ' HB3' ' HE3' ' A' ' 43' ' ' MET . 93.7 m-85 -33.66 -83.02 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 124.597 1.159 . . . . 0.61 113.87 179.287 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.577 HG22 ' HB ' ' A' ' 38' ' ' VAL . 1.1 p -84.41 65.38 8.89 Favored 'General case' 0 C--N 1.302 -1.491 0 CA-C-O 121.673 0.749 . . . . 1.08 112.965 176.309 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.626 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 14.0 t70 -161.73 -61.68 0.05 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.277 -1.329 . . . . 0.73 109.464 177.839 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -93.65 -57.94 2.42 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.157 -0.682 . . . . 1.46 109.157 -178.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.676 HD21 HG22 ' A' ' 21' ' ' ILE . 76.4 mt -63.6 -44.53 93.74 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-N 114.931 -1.031 . . . . 1.12 110.003 -177.493 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.9 t70 71.2 82.5 0.15 Allowed 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 125.192 1.397 . . . . 1.14 108.691 179.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.577 ' HB ' HG22 ' A' ' 33' ' ' THR . 86.3 t -81.21 -90.22 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.306 -1.323 0 CA-C-N 114.204 -1.362 . . . . 2.39 110.39 -175.6 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.507 ' CG ' ' H ' ' A' ' 40' ' ' SER . 24.8 t70 172.57 -174.38 0.05 OUTLIER 'General case' 0 C--N 1.293 -1.868 0 N-CA-C 103.93 -2.618 . . . . 0.79 103.93 -177.727 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.507 ' H ' ' CG ' ' A' ' 39' ' ' ASP . 8.2 t -101.96 -38.88 7.59 Favored 'General case' 0 C--N 1.267 -2.987 0 N-CA-C 108.854 -0.795 . . . . 1.37 108.854 -174.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 94.8 mt -85.12 -35.42 21.78 Favored 'General case' 0 C--N 1.31 -1.138 0 N-CA-C 108.938 -0.764 . . . . 1.58 108.938 -179.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.569 ' HB3' HG22 ' A' ' 18' ' ' ILE . 19.0 m -66.99 -25.76 66.47 Favored 'General case' 0 N--CA 1.441 -0.885 0 CA-C-N 115.254 -0.885 . . . . 1.26 109.547 -179.569 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.646 ' HE3' ' HB3' ' A' ' 32' ' ' PHE . 31.7 tpp -61.77 -48.55 80.14 Favored 'General case' 0 N--CA 1.438 -1.034 0 CA-C-N 115.579 -0.737 . . . . 1.22 110.546 178.243 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 47.1 t -69.52 -26.79 31.88 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.292 0 CA-C-N 115.012 -0.995 . . . . 1.25 110.671 -175.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.57 ' HB2' HG23 ' A' ' 18' ' ' ILE . 38.3 mt-10 -70.99 -38.59 72.72 Favored 'General case' 0 N--CA 1.433 -1.284 0 N-CA-C 109.077 -0.712 . . . . 2.08 109.077 176.475 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.507 HG21 ' O ' ' A' ' 42' ' ' SER . 86.1 t -59.23 -46.01 92.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 N-CA-C 108.934 -0.765 . . . . 1.21 108.934 175.484 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.575 HG23 HG23 ' A' ' 63' ' ' VAL . 70.1 t -53.51 -63.98 0.46 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.707 0 CA-C-N 115.472 -0.786 . . . . 1.1 109.886 176.386 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.449 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 92.3 t -53.19 -40.08 37.04 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.309 0 C-N-CA 123.062 0.545 . . . . 1.36 112.438 179.041 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.22 -30.73 67.89 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 121.934 -0.479 . . . . 1.13 112.016 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.98 -36.71 84.85 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.24 0.543 . . . . 1.14 110.553 179.053 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.514 ' HG2' ' H ' ' A' ' 58' ' ' ILE . 28.8 mt-10 -64.59 -29.87 70.89 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-O 122.002 0.906 . . . . 1.36 110.091 179.37 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -83.43 -35.68 24.81 Favored 'General case' 0 C--N 1.299 -1.607 0 CA-C-N 114.96 -1.018 . . . . 2.09 109.968 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.7 tpm_? -76.96 -31.76 56.8 Favored 'General case' 0 N--CA 1.434 -1.262 0 CA-C-N 114.754 -1.112 . . . . 3.27 110.673 -174.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.53 ' CD2' HD11 ' A' ' 76' ' ' ILE . 35.2 m-85 -118.66 -0.63 11.28 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 113.208 0.818 . . . . 1.11 113.208 -175.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 22.8 t70 73.38 -11.46 0.91 Allowed 'General case' 0 N--CA 1.502 2.138 0 C-N-CA 124.25 1.02 . . . . 2.02 112.146 178.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.503 ' O ' ' HA ' ' A' ' 51' ' ' GLU . 6.9 p -93.24 119.86 41.69 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.081 0 CA-C-O 121.405 0.621 . . . . 1.87 110.289 -177.711 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.438 ' HZ2' ' HB3' ' A' ' 57' ' ' LYS . 4.1 mmmp? -70.54 123.54 22.06 Favored 'General case' 0 C--N 1.303 -1.446 0 CA-C-N 115.026 -0.988 . . . . 2.26 110.289 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.514 ' H ' ' HG2' ' A' ' 51' ' ' GLU . 49.3 mt -129.99 95.68 27.8 Favored Pre-proline 0 C--N 1.292 -1.893 0 N-CA-C 106.39 -1.708 . . . . 1.23 106.39 -179.369 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -72.54 151.93 53.52 Favored 'Trans proline' 0 N--CA 1.441 -1.591 0 C-N-CA 121.308 1.339 . . . . 0.76 112.052 -178.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.556 ' O ' HG11 ' A' ' 63' ' ' VAL . 11.5 t70 -43.91 -35.56 2.05 Favored 'General case' 0 C--O 1.207 -1.132 0 C-N-CA 124.981 1.313 . . . . 2.0 111.782 173.681 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -60.46 -50.06 75.1 Favored 'General case' 0 C--N 1.312 -1.041 0 N-CA-C 111.945 0.35 . . . . 2.09 111.945 178.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -83.42 -23.56 32.28 Favored 'General case' 0 CA--C 1.492 -1.271 0 O-C-N 122.076 -0.39 . . . . 1.58 111.902 -179.107 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.575 HG23 HG23 ' A' ' 47' ' ' VAL . 1.0 OUTLIER -63.84 -22.3 30.69 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.135 0 CA-C-O 121.51 0.671 . . . . 1.39 110.867 -178.13 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.553 ' HG2' ' O ' ' A' ' 60' ' ' ASP . 72.9 mmtt -64.91 -24.22 67.46 Favored 'General case' 0 C--O 1.218 -0.567 0 CA-C-N 115.356 -0.838 . . . . 2.97 110.821 178.341 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -92.89 6.28 48.3 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 115.689 -0.687 . . . . 2.62 110.468 -177.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.638 HD13 ' HA ' ' A' ' 72' ' ' ALA . 60.5 mt -97.91 -56.63 2.44 Favored 'General case' 0 C--O 1.204 -1.327 0 CA-C-N 116.231 -0.44 . . . . 1.67 109.876 179.046 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . 0.44 0.0 OUTLIER 58.81 -28.38 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 117.681 2.474 . . . . 3.58 117.681 177.091 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 79.2 p -121.96 179.28 4.56 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.437 -0.789 . . . . 1.09 110.521 177.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.699 HG23 ' O ' ' A' ' 27' ' ' LYS . 4.1 m -73.85 -42.5 53.75 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.585 0 CA-C-N 114.144 -1.389 . . . . 1.15 109.461 172.068 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.426 ' N ' HG21 ' A' ' 69' ' ' VAL . . . -65.48 -42.4 95.8 Favored Glycine 0 CA--C 1.498 -0.987 0 CA-C-N 115.604 -0.725 . . . . 0.36 112.345 -178.041 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.534 ' HB2' ' O ' ' A' ' 66' ' ' LEU . 28.9 m-20 -78.26 -26.7 47.33 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 110.423 -0.214 . . . . 1.79 110.423 -179.762 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.638 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -62.1 -55.78 25.43 Favored 'General case' 0 CA--C 1.511 -0.542 0 N-CA-C 107.594 -1.261 . . . . 1.08 107.594 172.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.547 ' HA ' HG21 ' A' ' 7' ' ' ILE . 85.4 m -49.0 -43.8 40.64 Favored 'General case' 0 C--O 1.194 -1.867 0 C-N-CA 123.836 0.855 . . . . 1.15 111.406 171.095 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.429 ' HB3' ' HA ' ' A' ' 71' ' ' ASP . 23.4 tptm -57.07 -32.19 65.99 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 123.836 0.854 . . . . 3.35 111.281 178.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.46 ' HB2' ' CD2' ' A' ' 66' ' ' LEU . 55.2 t80 -75.82 -55.76 5.32 Favored 'General case' 0 C--O 1.201 -1.493 0 N-CA-C 107.652 -1.24 . . . . 1.19 107.652 178.403 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.53 HD11 ' CD2' ' A' ' 54' ' ' PHE . 61.6 mt -56.61 -52.21 56.44 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.606 0 C-N-CA 125.087 1.355 . . . . 1.07 110.983 -177.748 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 47.1 tp -50.53 -42.23 54.79 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.903 0.881 . . . . 1.76 111.432 178.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -88.99 -28.45 20.2 Favored 'General case' 0 C--N 1.295 -1.764 0 CA-C-N 115.074 -0.966 . . . . 0.67 112.022 -174.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 39.3 m-70 -102.18 5.84 40.43 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 113.657 0.984 . . . . 1.87 113.657 -174.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.417 ' NE2' HG21 ' A' ' 76' ' ' ILE . 81.3 mm-40 -32.03 119.51 0.27 Allowed 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 125.088 1.355 . . . . 1.31 113.433 178.388 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.429 -1.491 0 N-CA-C 108.575 -0.898 . . . . 2.36 108.575 -179.873 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.539 ' O ' HG13 ' A' ' 7' ' ' ILE . 9.3 m . . . . . 0 N--CA 1.418 -2.035 0 N-CA-C 107.411 -1.329 . . . . 1.6 107.411 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -50.38 -39.46 46.84 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 113.396 0.888 . . . . 1.66 113.396 -173.333 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -66.51 -29.99 70.21 Favored 'General case' 0 C--N 1.294 -1.814 0 CA-C-N 115.873 -0.603 . . . . 2.3 110.53 -176.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -78.02 -31.61 50.61 Favored 'General case' 0 N--CA 1.44 -0.934 0 N-CA-C 108.46 -0.941 . . . . 1.92 108.46 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.539 HG13 ' O ' ' A' ' 3' ' ' THR . 15.5 mt -73.48 -50.99 27.13 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.202 0 N-CA-C 108.293 -1.003 . . . . 1.08 108.293 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.442 HG22 HD12 ' A' ' 28' ' ' LEU . 67.9 t -57.09 -40.69 74.76 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.172 0 CA-C-N 115.886 -0.597 . . . . 1.1 110.765 176.446 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.2 -37.38 87.25 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.111 0.481 . . . . 1.08 110.09 175.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.17 -39.57 96.24 Favored Glycine 0 C--O 1.204 -1.723 0 N-CA-C 110.304 -1.119 . . . . 0.31 110.304 178.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.474 ' O ' HG23 ' A' ' 15' ' ' VAL . 96.0 mt -66.01 -44.39 84.88 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 110.017 -0.364 . . . . 1.02 110.017 175.423 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.38 -42.72 78.35 Favored 'General case' 0 C--O 1.239 0.531 0 C-N-CA 123.766 0.826 . . . . 1.08 112.053 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -65.31 -36.15 83.17 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-O 121.206 0.526 . . . . 1.46 111.771 178.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 97.0 mt -67.21 -49.06 76.09 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 CA-C-N 115.338 -0.846 . . . . 1.16 109.249 177.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.617 HG11 ' HB ' ' A' ' 21' ' ' ILE . 94.5 t -57.73 -42.14 81.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.693 -0.685 . . . . 1.1 110.751 178.568 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -65.2 -33.04 75.06 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-O 121.342 0.591 . . . . 0.64 111.924 -179.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.33 -56.79 4.31 Favored 'General case' 0 C--N 1.304 -1.408 0 CA-C-N 115.543 -0.753 . . . . 2.0 109.039 -179.694 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.822 HG23 ' HB3' ' A' ' 42' ' ' SER . 79.8 mt -79.62 -52.37 14.99 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.141 0 N-CA-C 113.164 0.801 . . . . 1.1 113.164 -172.052 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.796 ' HB1' HG11 ' A' ' 38' ' ' VAL . . . -80.94 -36.78 30.54 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 121.147 0.498 . . . . 0.93 110.592 -177.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.53 31.66 12.96 Favored Glycine 0 N--CA 1.441 -0.993 0 N-CA-C 110.405 -1.078 . . . . 0.46 110.405 -176.081 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.617 ' HB ' HG11 ' A' ' 15' ' ' VAL . 42.8 mm -110.92 132.0 21.86 Favored Pre-proline 0 C--N 1.313 -1.017 0 N-CA-C 109.815 -0.439 . . . . 1.2 109.815 -178.336 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 21' ' ' ILE . 6.7 Cg_exo -35.48 129.47 0.3 Allowed 'Trans proline' 0 N--CA 1.453 -0.863 0 C-N-CA 125.197 3.931 . . . . 0.47 114.022 174.115 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 74.5 t -60.45 -24.48 31.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 114.917 -1.038 . . . . 1.4 108.531 176.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -88.07 -17.75 30.39 Favored 'General case' 0 N--CA 1.421 -1.915 0 CA-C-N 114.477 -1.238 . . . . 2.34 113.122 -178.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -83.84 -14.28 51.63 Favored 'General case' 0 N--CA 1.486 1.337 0 CA-C-O 122.569 1.175 . . . . 0.69 108.634 -178.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.685 HG13 HG12 ' A' ' 69' ' ' VAL . 62.3 t -78.5 73.27 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.343 0 CA-C-N 113.424 -1.716 . . . . 1.17 108.939 178.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.588 ' O ' HG22 ' A' ' 69' ' ' VAL . 43.0 mmtm -85.14 159.55 20.12 Favored 'General case' 0 N--CA 1.417 -2.089 0 N-CA-C 106.45 -1.685 . . . . 2.23 106.45 175.623 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.444 HD22 ' O ' ' A' ' 28' ' ' LEU . 8.0 tt -72.64 -11.15 60.52 Favored 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 112.894 0.701 . . . . 1.7 112.894 -170.016 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -97.11 0.19 48.09 Favored 'General case' 0 C--N 1.274 -2.686 0 CA-C-N 115.564 -0.744 . . . . 2.11 109.358 -177.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.516 ' O ' HG21 ' A' ' 69' ' ' VAL . 45.1 mmtm -90.27 125.94 35.67 Favored 'General case' 0 C--N 1.303 -1.427 0 CA-C-O 121.744 0.783 . . . . 1.65 112.583 -172.411 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.59 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 3.3 m -92.01 112.74 24.79 Favored 'General case' 0 N--CA 1.402 -2.831 0 N-CA-C 106.606 -1.628 . . . . 1.66 106.606 174.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.609 ' HA ' HD11 ' A' ' 36' ' ' LEU . 86.5 m-85 -28.18 -84.6 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 115.056 1.502 . . . . 0.61 115.056 179.196 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.693 HG22 ' HB ' ' A' ' 38' ' ' VAL . 0.8 OUTLIER -85.37 64.26 8.55 Favored 'General case' 0 C--N 1.307 -1.278 0 N-CA-C 114.164 1.172 . . . . 1.08 114.164 -179.875 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -170.46 -51.22 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 107.565 -1.272 . . . . 0.73 107.565 177.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.42 ' HB3' ' CD ' ' A' ' 30' ' ' LYS . 34.5 m-20 -95.26 -55.76 2.95 Favored 'General case' 0 C--N 1.307 -1.276 0 CA-C-N 114.681 -1.145 . . . . 1.46 110.72 179.286 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.609 HD11 ' HA ' ' A' ' 32' ' ' PHE . 96.3 mt -72.86 -44.0 61.89 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 112.102 0.408 . . . . 1.12 112.102 -176.737 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.7 t70 76.24 92.45 0.07 Allowed 'General case' 0 CA--C 1.505 -0.767 0 O-C-N 124.935 1.397 . . . . 1.14 109.92 -174.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.796 HG11 ' HB1' ' A' ' 19' ' ' ALA . 93.4 t -96.11 -89.27 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.298 -1.666 0 CA-C-N 114.914 -1.039 . . . . 2.39 109.44 -177.677 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.622 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 14.5 t70 176.29 179.74 0.18 Allowed 'General case' 0 C--N 1.29 -2.009 0 N-CA-C 103.618 -2.734 . . . . 0.79 103.618 -179.062 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.7 t -99.36 -35.09 10.04 Favored 'General case' 0 C--N 1.26 -3.306 0 N-CA-C 108.778 -0.823 . . . . 1.37 108.778 -174.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 91.0 mt -86.88 -38.31 16.87 Favored 'General case' 0 C--N 1.31 -1.14 0 CA-C-O 122.265 1.031 . . . . 1.58 109.216 -178.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.822 ' HB3' HG23 ' A' ' 18' ' ' ILE . 46.5 m -71.14 -14.39 62.27 Favored 'General case' 0 N--CA 1.433 -1.292 0 CA-C-N 113.91 -1.496 . . . . 1.26 111.064 -177.084 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.416 ' HE3' ' OG1' ' A' ' 33' ' ' THR . 21.1 tpp -62.15 -47.36 84.86 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.73 -0.668 . . . . 1.22 110.675 177.788 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.419 ' O ' HG21 ' A' ' 48' ' ' VAL . 46.8 t -71.88 -23.07 21.81 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.4 0 CA-C-N 115.62 -0.718 . . . . 1.25 110.492 -177.287 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.597 ' HB2' HG21 ' A' ' 18' ' ' ILE . 31.5 mm-40 -69.97 -36.45 75.24 Favored 'General case' 0 N--CA 1.439 -1.006 0 N-CA-C 108.753 -0.832 . . . . 2.08 108.753 177.702 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.467 HG21 ' O ' ' A' ' 42' ' ' SER . 99.2 t -62.05 -46.25 96.9 Favored 'Isoleucine or valine' 0 C--N 1.339 0.12 0 N-CA-C 108.591 -0.892 . . . . 1.21 108.591 177.274 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.57 HG22 HG23 ' A' ' 63' ' ' VAL . 48.7 t -53.77 -63.4 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.571 0 CA-C-N 115.365 -0.834 . . . . 1.1 109.287 176.692 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.419 HG21 ' O ' ' A' ' 44' ' ' VAL . 85.4 t -44.9 -54.91 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 C-N-CA 123.954 0.902 . . . . 1.36 112.071 176.031 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.79 -35.52 80.14 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.384 0.512 . . . . 1.13 112.384 -177.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.0 -37.57 83.0 Favored 'General case' 0 C--O 1.243 0.73 0 CA-C-O 120.565 0.221 . . . . 1.14 110.752 178.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -59.47 -43.7 93.17 Favored 'General case' 0 C--O 1.216 -0.671 0 CA-C-N 116.0 -0.545 . . . . 1.36 110.241 178.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -75.15 -38.24 61.03 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 116.204 -0.453 . . . . 2.09 111.348 -179.021 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.512 ' HA ' ' HE ' ' A' ' 53' ' ' ARG . 1.6 tpm_? -65.33 -35.42 80.93 Favored 'General case' 0 CA--C 1.502 -0.901 0 CA-C-O 121.149 0.5 . . . . 3.27 111.319 -170.396 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.453 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 39.3 m-85 -111.37 0.42 16.62 Favored 'General case' 0 C--N 1.291 -1.977 0 CA-C-N 115.512 -0.767 . . . . 1.11 111.038 -175.696 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.7 t70 52.94 64.64 1.78 Allowed 'General case' 0 CA--C 1.511 -0.541 0 C-N-CA 125.149 1.38 . . . . 2.02 110.3 -173.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 25.7 m -134.13 -166.89 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.284 -2.274 0 CA-C-N 114.402 -1.272 . . . . 1.87 108.185 -178.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 23.8 tptp -143.09 119.65 11.05 Favored 'General case' 0 N--CA 1.415 -2.204 0 N-CA-C 106.824 -1.547 . . . . 2.26 106.824 178.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.696 HD13 HG12 ' A' ' 76' ' ' ILE . 21.4 mt -141.76 96.26 6.83 Favored Pre-proline 0 C--N 1.301 -1.506 0 N-CA-C 106.258 -1.756 . . . . 1.23 106.258 -177.116 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.436 ' HD2' ' HB2' ' A' ' 62' ' ' ASP . 72.6 Cg_endo -76.95 157.27 34.63 Favored 'Trans proline' 0 N--CA 1.435 -1.929 0 C-N-CA 121.173 1.248 . . . . 0.76 111.857 -178.072 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.513 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 16.1 t70 -46.53 -26.35 0.86 Allowed 'General case' 0 C--O 1.208 -1.087 0 C-N-CA 125.441 1.496 . . . . 2.0 112.716 175.11 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -82.05 -47.4 12.67 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 112.089 0.403 . . . . 2.09 112.089 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.436 ' HB2' ' HD2' ' A' ' 59' ' ' PRO . 18.3 m-20 -78.94 -20.0 50.33 Favored 'General case' 0 CA--C 1.486 -1.497 0 O-C-N 122.185 -0.322 . . . . 1.58 111.559 -177.428 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.57 HG23 HG22 ' A' ' 47' ' ' VAL . 3.0 p -70.38 -23.08 24.35 Favored 'Isoleucine or valine' 0 C--O 1.189 -2.112 0 CA-C-N 115.567 -0.742 . . . . 1.39 110.248 -179.656 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.513 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 66.0 mttm -62.21 -2.38 0.96 Allowed 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.539 1.136 . . . . 2.97 113.729 -175.498 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -115.26 10.61 15.99 Favored 'General case' 0 C--N 1.287 -2.109 0 CA-C-O 121.692 0.758 . . . . 2.62 109.075 -176.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.727 HD13 ' HA ' ' A' ' 72' ' ' ALA . 38.7 mt -123.06 39.73 3.88 Favored 'General case' 0 C--O 1.216 -0.705 0 O-C-N 121.784 -0.572 . . . . 1.67 111.83 -173.446 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.73 -23.0 0.1 Allowed 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 118.2 2.667 . . . . 3.58 118.2 -176.099 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.59 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 68.3 p -110.25 167.69 10.0 Favored 'General case' 0 CA--C 1.503 -0.856 0 CA-C-N 119.239 0.927 . . . . 1.09 111.206 177.002 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.685 HG12 HG13 ' A' ' 26' ' ' VAL . 2.8 m -60.81 -42.84 93.91 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.49 0 CA-C-N 115.243 -0.889 . . . . 1.15 109.318 171.373 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -59.4 -45.79 94.92 Favored Glycine 0 N--CA 1.433 -1.509 0 CA-C-N 115.414 -0.812 . . . . 0.36 112.276 175.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.525 ' HB3' ' HA ' ' A' ' 66' ' ' LEU . 9.8 m-20 -65.85 -38.23 88.3 Favored 'General case' 0 CA--C 1.502 -0.901 0 CA-C-N 117.212 0.506 . . . . 1.79 110.969 -178.611 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.727 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -59.99 -58.68 7.51 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 108.995 -0.743 . . . . 1.08 108.995 175.495 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.461 HG22 ' HB ' ' A' ' 7' ' ' ILE . 93.1 m -48.55 -46.3 38.68 Favored 'General case' 0 C--O 1.205 -1.261 0 C-N-CA 124.51 1.124 . . . . 1.15 111.954 174.632 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.437 ' HB3' ' O ' ' A' ' 71' ' ' ASP . 82.2 tttt -53.96 -33.02 55.73 Favored 'General case' 0 C--N 1.297 -1.7 0 C-N-CA 126.63 1.972 . . . . 3.35 111.294 177.497 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.419 ' HB2' ' CD2' ' A' ' 66' ' ' LEU . 65.1 t80 -85.41 -47.82 9.6 Favored 'General case' 0 C--O 1.203 -1.366 0 N-CA-C 108.369 -0.975 . . . . 1.19 108.369 178.254 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.696 HG12 HD13 ' A' ' 58' ' ' ILE . 76.9 mt -60.27 -50.3 80.82 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.442 0 C-N-CA 124.701 1.2 . . . . 1.07 111.385 -177.402 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.1 tt -54.05 -35.83 62.42 Favored 'General case' 0 N--CA 1.482 1.143 0 CA-C-O 121.167 0.508 . . . . 1.76 109.99 178.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -83.03 -38.56 22.4 Favored 'General case' 0 C--N 1.298 -1.657 0 CA-C-N 114.821 -1.082 . . . . 0.67 111.577 -178.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 39.2 m-70 -91.78 5.7 48.87 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 114.676 1.362 . . . . 1.87 114.676 -175.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.506 ' NE2' HG23 ' A' ' 76' ' ' ILE . 84.6 mm-40 -44.19 145.07 0.83 Allowed 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.667 0.787 . . . . 1.31 111.148 173.736 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -0.897 0 N-CA-C 109.291 -0.633 . . . . 2.36 109.291 178.198 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.51 ' O ' HG13 ' A' ' 7' ' ' ILE . 1.9 m . . . . . 0 N--CA 1.426 -1.631 0 N-CA-C 107.457 -1.312 . . . . 1.6 107.457 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -53.94 -37.08 63.5 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 112.341 0.497 . . . . 1.66 112.341 -174.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -68.58 -29.04 67.49 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-N 115.782 -0.645 . . . . 2.3 110.161 -177.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -72.15 -34.08 68.24 Favored 'General case' 0 C--N 1.314 -0.968 0 N-CA-C 108.141 -1.059 . . . . 1.92 108.141 -179.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.618 ' HB ' HG22 ' A' ' 73' ' ' THR . 15.4 mt -72.66 -52.58 22.44 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.597 0 CA-C-N 114.425 -1.261 . . . . 1.08 107.801 179.565 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.3 t -52.72 -43.23 43.97 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.822 0 CA-C-N 115.606 -0.724 . . . . 1.1 110.733 176.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.44 -39.38 93.71 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 122.618 0.367 . . . . 1.08 111.135 177.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.26 -42.29 97.91 Favored Glycine 0 N--CA 1.438 -1.188 0 N-CA-C 110.096 -1.202 . . . . 0.31 110.096 178.03 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.504 ' HA ' HD11 ' A' ' 14' ' ' ILE . 89.4 mt -65.37 -43.65 90.11 Favored 'General case' 0 C--N 1.309 -1.156 0 N-CA-C 110.179 -0.304 . . . . 1.02 110.179 176.279 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.448 ' HA ' HG11 ' A' ' 26' ' ' VAL . . . -55.11 -43.09 73.74 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 123.886 0.875 . . . . 1.08 111.809 -179.339 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -69.1 -35.57 76.59 Favored 'General case' 0 C--O 1.24 0.598 0 C-N-CA 119.771 -0.772 . . . . 1.46 112.884 178.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.504 HD11 ' HA ' ' A' ' 11' ' ' LEU . 93.6 mt -62.45 -51.61 70.14 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.133 0 N-CA-C 108.479 -0.934 . . . . 1.16 108.479 175.713 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.627 HG12 ' HB ' ' A' ' 21' ' ' ILE . 94.2 t -61.1 -42.62 93.93 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.065 0 CA-C-N 114.912 -1.04 . . . . 1.1 110.816 179.722 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -60.36 -33.65 72.74 Favored 'General case' 0 C--N 1.309 -1.161 0 CA-C-O 121.386 0.613 . . . . 0.64 110.411 179.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -79.33 -64.33 1.21 Allowed 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 115.269 -0.878 . . . . 2.0 111.542 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.486 HG21 ' HB2' ' A' ' 45' ' ' GLU . 81.3 mt -74.17 -52.25 20.91 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.204 0 CA-C-N 115.864 -0.607 . . . . 1.1 111.559 -173.323 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.577 ' HA ' HG23 ' A' ' 38' ' ' VAL . . . -78.21 -37.74 44.79 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-N 115.909 -0.587 . . . . 0.93 111.411 -176.184 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.26 32.61 22.44 Favored Glycine 0 C--O 1.242 0.622 0 N-CA-C 110.546 -1.021 . . . . 0.46 110.546 -177.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.627 ' HB ' HG12 ' A' ' 15' ' ' VAL . 49.3 mm -112.31 131.2 22.69 Favored Pre-proline 0 C--N 1.31 -1.116 0 N-CA-C 108.628 -0.878 . . . . 1.2 108.628 -179.412 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.47 ' HD2' ' HA ' ' A' ' 21' ' ' ILE . 2.7 Cg_exo -35.13 128.3 0.25 Allowed 'Trans proline' 0 C--O 1.237 0.467 1 C-N-CA 125.83 4.353 . . . . 0.47 115.282 175.807 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.4 ' HA ' ' HB3' ' A' ' 12' ' ' ALA . 92.6 t -56.6 -32.89 38.42 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.458 0 C-N-CA 124.575 1.15 . . . . 1.4 108.505 176.09 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.256 0.8 OUTLIER -85.55 -24.07 27.4 Favored 'General case' 0 N--CA 1.421 -1.906 0 CA-C-N 115.099 -0.955 . . . . 2.34 113.543 -177.385 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.533 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 28.3 t0 -81.57 -16.53 51.33 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-O 121.967 0.889 . . . . 0.69 109.094 178.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.675 HG12 HG13 ' A' ' 69' ' ' VAL . 54.7 t -76.86 78.55 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.323 0 CA-C-O 122.798 1.285 . . . . 1.17 107.792 172.707 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 58.0 mttp -85.21 -137.79 0.07 Allowed 'General case' 0 C--N 1.298 -1.663 0 CA-C-N 112.443 -2.162 . . . . 2.23 108.499 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.417 ' HA ' HG23 ' A' ' 69' ' ' VAL . 7.0 tt -121.85 -19.76 6.62 Favored 'General case' 0 C--N 1.309 -1.179 0 C-N-CA 119.738 -0.785 . . . . 1.7 110.858 -179.577 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -91.29 -1.07 57.74 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-O 123.001 1.381 . . . . 2.11 109.852 -178.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.629 ' O ' HG21 ' A' ' 69' ' ' VAL . 72.2 mmtt -85.31 110.0 18.77 Favored 'General case' 0 C--N 1.292 -1.916 0 N-CA-C 114.504 1.298 . . . . 1.65 114.504 -172.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.549 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 2.7 m -75.44 110.27 9.66 Favored 'General case' 0 N--CA 1.411 -2.385 0 N-CA-C 107.462 -1.31 . . . . 1.66 107.462 171.221 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.651 ' HA ' HD13 ' A' ' 36' ' ' LEU . 92.4 m-85 -36.52 -80.78 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.39 0 N-CA-C 114.104 1.15 . . . . 0.61 114.104 178.252 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.72 40.31 0.67 Allowed 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 114.857 1.429 . . . . 1.08 114.857 -179.614 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -155.24 -46.4 0.08 Allowed 'General case' 0 C--N 1.317 -0.813 0 C-N-CA 120.119 -0.632 . . . . 0.73 112.221 179.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -96.04 -50.51 4.82 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.078 -1.082 . . . . 1.46 108.078 178.125 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.651 HD13 ' HA ' ' A' ' 32' ' ' PHE . 96.8 mt -68.89 -49.09 61.19 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 109.056 -0.72 . . . . 1.12 109.056 177.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.0 t70 70.27 81.99 0.16 Allowed 'General case' 0 CA--C 1.508 -0.669 0 C-N-CA 124.685 1.194 . . . . 1.14 112.826 174.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.577 HG23 ' HA ' ' A' ' 19' ' ' ALA . 1.4 p -93.03 -87.29 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.297 -1.674 0 CA-C-N 115.481 -0.781 . . . . 2.39 109.625 173.192 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.543 ' H ' HG13 ' A' ' 38' ' ' VAL . 11.8 t70 -173.63 173.5 3.37 Favored 'General case' 0 N--CA 1.425 -1.718 0 N-CA-C 105.123 -2.177 . . . . 0.79 105.123 177.666 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.404 ' H ' ' CG ' ' A' ' 39' ' ' ASP . 38.5 t -85.67 -26.12 26.15 Favored 'General case' 0 C--N 1.257 -3.428 0 C-N-CA 124.113 0.965 . . . . 1.37 110.59 -171.233 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 56.4 mt -80.97 -43.02 20.3 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-O 120.964 0.411 . . . . 1.58 111.829 -175.122 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -66.82 -22.03 66.02 Favored 'General case' 0 C--N 1.311 -1.104 0 C-N-CA 123.925 0.89 . . . . 1.26 110.414 -175.467 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.416 ' O ' HG21 ' A' ' 47' ' ' VAL . 25.0 tpp -56.47 -41.05 75.9 Favored 'General case' 0 N--CA 1.441 -0.891 0 CA-C-N 114.684 -1.144 . . . . 1.22 113.067 -177.724 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 48.9 t -68.83 -29.21 42.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 C-N-CA 120.842 -0.343 . . . . 1.25 110.698 -177.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.486 ' HB2' HG21 ' A' ' 18' ' ' ILE . 19.0 mm-40 -72.99 -34.25 66.31 Favored 'General case' 0 N--CA 1.426 -1.628 0 N-CA-C 109.316 -0.624 . . . . 2.08 109.316 179.536 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 66.4 t -61.85 -47.03 95.14 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.239 0 N-CA-C 108.484 -0.932 . . . . 1.21 108.484 176.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.648 HG11 HG21 ' A' ' 63' ' ' VAL . 90.3 t -55.34 -64.4 0.47 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 O-C-N 123.914 0.759 . . . . 1.1 109.691 176.609 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.484 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 89.6 t -51.23 -42.62 26.71 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.229 0 C-N-CA 123.523 0.729 . . . . 1.36 112.945 178.647 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.33 -38.91 82.0 Favored 'General case' 0 C--N 1.318 -0.765 0 O-C-N 121.801 -0.562 . . . . 1.13 111.367 178.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.6 -36.18 79.97 Favored 'General case' 0 C--O 1.247 0.949 0 CA-C-O 120.785 0.326 . . . . 1.14 110.21 178.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.62 ' HG2' ' H ' ' A' ' 58' ' ' ILE . 54.3 mt-10 -53.56 -55.76 22.83 Favored 'General case' 0 N--CA 1.441 -0.877 0 CA-C-N 115.24 -0.891 . . . . 1.36 109.939 176.759 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -71.36 -35.41 71.12 Favored 'General case' 0 C--N 1.321 -0.668 0 O-C-N 123.835 0.709 . . . . 2.09 111.921 -178.189 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.2 tpp85 -64.83 -34.15 77.69 Favored 'General case' 0 CA--C 1.503 -0.839 0 CA-C-O 121.544 0.688 . . . . 3.27 110.812 -169.125 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.448 ' CD2' HD13 ' A' ' 76' ' ' ILE . 50.9 m-85 -115.9 -2.16 12.4 Favored 'General case' 0 C--N 1.296 -1.761 0 CA-C-N 115.036 -0.984 . . . . 1.11 110.001 -179.264 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.7 t0 56.88 23.35 8.05 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 125.323 1.449 . . . . 2.02 110.382 -176.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.449 HG11 HG13 ' A' ' 58' ' ' ILE . 6.6 p -81.63 -27.9 10.05 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.076 0 CA-C-N 114.42 -1.263 . . . . 1.87 111.331 -173.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 24.4 tptp 56.53 86.99 0.06 Allowed 'General case' 0 C--O 1.249 1.066 0 C-N-CA 124.782 1.233 . . . . 2.26 111.791 -177.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.655 HG21 HG22 ' A' ' 63' ' ' VAL . 25.2 mt -105.25 103.7 43.63 Favored Pre-proline 0 C--N 1.314 -0.94 0 N-CA-C 107.824 -1.176 . . . . 1.23 107.824 178.415 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -68.34 149.19 75.16 Favored 'Trans proline' 0 C--O 1.262 1.703 0 C-N-CA 121.033 1.155 . . . . 0.76 110.23 178.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.416 ' HA ' ' HB ' ' A' ' 63' ' ' VAL . 4.7 p-10 -49.37 -27.04 3.62 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.05 0.54 . . . . 2.0 111.633 176.494 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -56.4 -53.39 57.95 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.364 1.066 . . . . 2.09 112.256 175.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -74.87 -26.22 59.52 Favored 'General case' 0 N--CA 1.492 1.658 0 CA-C-O 121.77 0.795 . . . . 1.58 110.479 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.655 HG22 HG21 ' A' ' 58' ' ' ILE . 3.2 t -60.44 -23.03 26.97 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.623 0 CA-C-N 114.622 -1.172 . . . . 1.39 111.632 175.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -69.86 -8.67 50.43 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-O 120.904 0.383 . . . . 2.97 111.399 178.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -108.66 -14.94 14.52 Favored 'General case' 0 C--N 1.315 -0.931 0 N-CA-C 108.181 -1.044 . . . . 2.62 108.181 -178.275 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.772 ' HA ' ' OD2' ' A' ' 71' ' ' ASP . 52.0 mt -91.74 140.77 29.37 Favored 'General case' 0 N--CA 1.428 -1.543 0 N-CA-C 106.608 -1.626 . . . . 1.67 106.608 178.384 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.98 -21.87 0.95 Allowed 'General case' 0 C--N 1.267 -3.012 0 N-CA-C 113.152 0.797 . . . . 3.58 113.152 178.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.549 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 19.1 p -117.99 165.94 13.11 Favored 'General case' 0 N--CA 1.431 -1.399 0 C-N-CA 119.995 -0.682 . . . . 1.09 111.263 178.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.675 HG13 HG12 ' A' ' 26' ' ' VAL . 2.1 m -58.46 -44.34 88.7 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.238 0 CA-C-N 114.9 -1.046 . . . . 1.15 110.473 173.501 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -70.54 -31.96 67.9 Favored Glycine 0 N--CA 1.43 -1.764 0 CA-C-N 115.879 -0.6 . . . . 0.36 112.252 179.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.772 ' OD2' ' HA ' ' A' ' 66' ' ' LEU . 34.9 t0 -69.44 -43.92 72.35 Favored 'General case' 0 CA--C 1.512 -0.506 0 N-CA-C 108.902 -0.777 . . . . 1.79 108.902 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.508 ' HA ' HD12 ' A' ' 66' ' ' LEU . . . -57.43 -56.06 26.73 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 115.428 -0.805 . . . . 1.08 108.859 175.795 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.618 HG22 ' HB ' ' A' ' 7' ' ' ILE . 54.8 m -47.64 -47.34 29.25 Favored 'General case' 0 C--O 1.195 -1.788 0 C-N-CA 124.235 1.014 . . . . 1.15 112.367 173.549 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.2 tptm -60.79 -36.78 79.86 Favored 'General case' 0 C--N 1.318 -0.768 0 C-N-CA 122.767 0.427 . . . . 3.35 110.988 -178.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.478 ' HB2' HD23 ' A' ' 66' ' ' LEU . 67.1 t80 -70.04 -41.62 73.99 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.114 -0.699 . . . . 1.19 109.114 178.275 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.652 HG12 HD13 ' A' ' 58' ' ' ILE . 66.2 mt -67.44 -44.44 86.85 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.643 0 CA-C-N 115.42 -0.809 . . . . 1.07 109.364 179.754 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 42.8 tp -50.05 -40.11 44.12 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 124.828 1.251 . . . . 1.76 110.02 176.125 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -83.51 -37.67 22.78 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-N 114.693 -1.14 . . . . 0.67 111.689 -177.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -94.65 5.5 51.67 Favored 'General case' 0 C--N 1.308 -1.2 0 N-CA-C 115.061 1.504 . . . . 1.87 115.061 -174.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.469 ' NE2' HG21 ' A' ' 76' ' ' ILE . 80.7 mm-40 -37.79 134.09 0.76 Allowed 'General case' 0 N--CA 1.493 1.676 0 C-N-CA 124.775 1.23 . . . . 1.31 113.631 179.36 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.434 -1.242 0 N-CA-C 108.509 -0.923 . . . . 2.36 108.509 177.723 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.5 m . . . . . 0 N--CA 1.414 -2.24 0 N-CA-C 106.521 -1.659 . . . . 1.6 106.521 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.619 ' HA ' HD11 ' A' ' 7' ' ' ILE . 24.6 mt-30 -52.07 -25.9 9.76 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 113.402 0.89 . . . . 1.66 113.402 -177.302 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -64.62 -38.75 92.07 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 116.028 -0.533 . . . . 2.3 109.695 177.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -81.81 -25.16 35.44 Favored 'General case' 0 N--CA 1.429 -1.505 0 CA-C-N 115.886 -0.597 . . . . 1.92 110.053 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.619 HD11 ' HA ' ' A' ' 4' ' ' GLN . 49.8 mt -66.42 -59.58 3.74 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.902 0 N-CA-C 108.021 -1.103 . . . . 1.08 108.021 176.332 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.557 HG22 HD12 ' A' ' 28' ' ' LEU . 98.0 t -55.65 -37.33 45.85 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.852 0 CA-C-N 116.268 -0.424 . . . . 1.1 110.615 175.662 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.07 -42.81 96.87 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 120.883 0.373 . . . . 1.08 110.361 177.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . 0.432 ' HA2' ' HG2' ' A' ' 13' ' ' GLU . . . -62.69 -43.84 98.38 Favored Glycine 0 C--O 1.211 -1.294 0 N-CA-C 110.64 -0.984 . . . . 0.31 110.64 177.013 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.46 ' O ' HG23 ' A' ' 15' ' ' VAL . 85.4 mt -58.36 -47.28 84.31 Favored 'General case' 0 N--CA 1.435 -1.214 0 N-CA-C 110.076 -0.342 . . . . 1.02 110.076 176.028 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.93 -44.56 86.99 Favored 'General case' 0 C--N 1.319 -0.737 0 C-N-CA 123.851 0.86 . . . . 1.08 112.055 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.432 ' HG2' ' HA2' ' A' ' 10' ' ' GLY . 13.1 pt-20 -67.12 -38.13 85.08 Favored 'General case' 0 C--O 1.243 0.752 0 C-N-CA 120.748 -0.381 . . . . 1.46 111.555 -179.29 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 90.9 mt -64.41 -47.17 90.59 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.15 0 CA-C-N 115.572 -0.74 . . . . 1.16 109.503 176.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 11' ' ' LEU . 77.3 t -57.12 -44.42 83.19 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.626 0 CA-C-N 116.051 -0.522 . . . . 1.1 110.646 176.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -63.82 -33.77 76.42 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 122.178 -0.326 . . . . 0.64 111.711 -179.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -79.89 -41.66 25.74 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 116.258 -0.428 . . . . 2.0 112.036 -179.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.796 HG21 ' HB3' ' A' ' 42' ' ' SER . 79.2 mt -92.26 -53.32 8.83 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.938 0 O-C-N 122.116 -0.365 . . . . 1.1 111.979 -177.129 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.762 ' HB1' HG11 ' A' ' 38' ' ' VAL . . . -75.57 -39.08 58.65 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.079 0.466 . . . . 0.93 110.181 -178.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 92.58 16.46 49.06 Favored Glycine 0 C--O 1.239 0.44 0 CA-C-N 115.385 -0.825 . . . . 0.46 111.187 -178.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.449 ' HA ' ' HD2' ' A' ' 22' ' ' PRO . 49.3 mm -99.68 135.46 20.55 Favored Pre-proline 0 C--N 1.312 -1.055 0 CA-C-N 115.212 -0.494 . . . . 1.2 109.907 -176.284 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.449 ' HD2' ' HA ' ' A' ' 21' ' ' ILE . 3.9 Cg_exo -34.8 128.12 0.22 Allowed 'Trans proline' 0 C--N 1.354 0.848 1 C-N-CA 125.444 4.096 . . . . 0.47 115.136 175.377 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 87.8 t -60.58 -32.91 52.72 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.497 0 CA-C-N 114.151 -1.386 . . . . 1.4 107.347 177.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.487 ' O ' ' HE2' ' A' ' 27' ' ' LYS . 43.8 mt-10 -92.67 5.25 51.71 Favored 'General case' 0 N--CA 1.411 -2.375 0 CA-C-N 113.49 -1.686 . . . . 2.34 112.863 -173.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.412 ' O ' ' HE3' ' A' ' 30' ' ' LYS . 33.2 t70 -102.04 -12.75 17.91 Favored 'General case' 0 C--N 1.311 -1.07 0 N-CA-C 107.379 -1.341 . . . . 0.69 107.379 171.699 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.442 HG23 HD11 ' A' ' 36' ' ' LEU . 89.3 t -80.09 72.13 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.904 0 CA-C-O 122.839 1.304 . . . . 1.17 108.985 178.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.708 ' O ' HG21 ' A' ' 69' ' ' VAL . 76.0 mmtt -84.3 168.29 15.79 Favored 'General case' 0 N--CA 1.417 -2.099 0 CA-C-N 113.468 -1.696 . . . . 2.23 107.27 176.699 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.557 HD12 HG22 ' A' ' 8' ' ' VAL . 7.5 tt -80.89 -4.4 54.72 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 113.129 0.788 . . . . 1.7 113.129 -169.725 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.0 p-10 -110.69 18.03 20.06 Favored 'General case' 0 C--N 1.275 -2.668 0 CA-C-O 121.813 0.815 . . . . 2.11 108.823 -179.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.562 ' O ' HG23 ' A' ' 69' ' ' VAL . 72.6 mmtt -97.7 141.98 30.05 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.284 -0.871 . . . . 1.65 112.263 -178.473 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.1 t -102.15 118.17 36.33 Favored 'General case' 0 C--N 1.294 -1.812 0 N-CA-C 107.347 -1.353 . . . . 1.66 107.347 170.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.738 ' HA ' HD12 ' A' ' 36' ' ' LEU . 93.0 m-85 -34.22 -82.63 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 114.137 1.162 . . . . 0.61 114.137 175.335 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.591 HG21 ' HB ' ' A' ' 38' ' ' VAL . 0.4 OUTLIER -80.0 49.41 1.08 Allowed 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 115.407 1.632 . . . . 1.08 115.407 -178.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -161.12 -64.59 0.06 Allowed 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 116.01 -0.541 . . . . 0.73 109.685 177.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -77.8 -46.3 21.98 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 115.642 -0.708 . . . . 1.46 110.631 -179.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.738 HD12 ' HA ' ' A' ' 32' ' ' PHE . 84.1 mt -80.85 -47.13 14.23 Favored 'General case' 0 C--N 1.31 -1.144 0 CA-C-N 115.576 -0.738 . . . . 1.12 109.91 -179.352 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.7 t70 78.34 90.09 0.06 Allowed 'General case' 0 CA--C 1.506 -0.741 0 C-N-CA 126.435 1.894 . . . . 1.14 110.057 -177.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.762 HG11 ' HB1' ' A' ' 19' ' ' ALA . 94.2 t -92.19 -92.08 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.297 -1.696 0 CA-C-N 114.489 -1.232 . . . . 2.39 109.012 -177.525 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.9 t70 171.27 175.27 0.07 Allowed 'General case' 0 C--N 1.294 -1.815 0 N-CA-C 103.371 -2.826 . . . . 0.79 103.371 -178.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.8 t -95.4 -32.0 13.13 Favored 'General case' 0 C--N 1.268 -2.967 0 N-CA-C 108.388 -0.967 . . . . 1.37 108.388 -176.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 83.9 mt -83.9 -36.92 23.0 Favored 'General case' 0 C--N 1.306 -1.307 0 N-CA-C 108.734 -0.839 . . . . 1.58 108.734 -178.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.796 ' HB3' HG21 ' A' ' 18' ' ' ILE . 19.3 m -70.86 -28.19 64.39 Favored 'General case' 0 N--CA 1.43 -1.46 0 CA-C-N 114.433 -1.258 . . . . 1.26 110.199 -178.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.632 ' HE3' ' HB3' ' A' ' 32' ' ' PHE . 26.6 tpp -56.5 -48.71 76.6 Favored 'General case' 0 CA--C 1.511 -0.535 0 O-C-N 123.473 0.483 . . . . 1.22 110.589 178.458 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 44.2 t -61.87 -33.18 56.7 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.726 0 CA-C-N 115.077 -0.965 . . . . 1.25 110.202 -178.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -74.13 -35.09 64.07 Favored 'General case' 0 N--CA 1.425 -1.723 0 N-CA-C 109.317 -0.623 . . . . 2.08 109.317 -178.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 42' ' ' SER . 77.3 t -63.69 -46.24 95.19 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 N-CA-C 108.598 -0.89 . . . . 1.21 108.598 176.143 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.639 HG21 HG22 ' A' ' 63' ' ' VAL . 88.7 t -53.75 -61.83 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 115.833 -0.621 . . . . 1.1 109.424 176.338 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 76.1 t -49.42 -44.55 18.4 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.303 0 C-N-CA 123.128 0.571 . . . . 1.36 112.134 175.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.87 -29.26 69.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 122.071 -0.393 . . . . 1.13 112.008 -178.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.54 -37.45 86.75 Favored 'General case' 0 C--O 1.24 0.556 0 N-CA-C 109.698 -0.482 . . . . 1.14 109.698 177.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.57 ' HG2' ' H ' ' A' ' 58' ' ' ILE . 36.5 mt-10 -64.29 -40.31 95.7 Favored 'General case' 0 CA--C 1.506 -0.735 0 CA-C-O 121.865 0.841 . . . . 1.36 109.475 177.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -76.5 -27.65 56.13 Favored 'General case' 0 C--N 1.298 -1.658 0 CA-C-N 114.784 -1.098 . . . . 2.09 111.258 -176.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.9 tpm_? -88.04 -47.07 8.8 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-O 120.826 0.346 . . . . 3.27 110.846 -177.017 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.519 ' HB2' HG13 ' A' ' 56' ' ' VAL . 20.1 m-85 -97.0 -9.54 28.0 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 112.409 0.522 . . . . 1.11 112.409 -173.179 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.3 t70 73.2 8.46 5.29 Favored 'General case' 0 N--CA 1.491 1.613 0 C-N-CA 125.137 1.375 . . . . 2.02 111.807 178.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.555 ' O ' ' HA ' ' A' ' 51' ' ' GLU . 7.4 p -98.66 131.25 46.19 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.397 0 CA-C-N 115.444 -0.798 . . . . 1.87 109.839 179.259 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -77.25 113.22 14.78 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-N 116.049 -0.523 . . . . 2.26 111.032 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.679 HD12 HG12 ' A' ' 76' ' ' ILE . 30.4 mt -129.86 100.34 19.33 Favored Pre-proline 0 C--N 1.305 -1.351 0 N-CA-C 107.057 -1.46 . . . . 1.23 107.057 179.188 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -88.14 161.37 7.15 Favored 'Trans proline' 0 N--CA 1.435 -1.955 0 C-N-CA 121.371 1.381 . . . . 0.76 111.557 178.054 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.6 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 3.9 t70 -48.49 -33.18 9.0 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.498 0.719 . . . . 2.0 111.75 173.082 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -54.06 -50.15 67.41 Favored 'General case' 0 C--N 1.317 -0.845 0 C-N-CA 123.232 0.613 . . . . 2.09 110.952 177.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -85.37 -30.83 23.33 Favored 'General case' 0 CA--C 1.483 -1.628 0 CA-C-N 115.681 -0.69 . . . . 1.58 111.508 -176.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.639 HG22 HG21 ' A' ' 47' ' ' VAL . 0.4 OUTLIER -59.19 -22.91 23.3 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.162 0 O-C-N 123.795 0.684 . . . . 1.39 111.641 -175.616 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.6 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 60.8 mttm -67.75 -8.46 35.72 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.612 -0.722 . . . . 2.97 112.74 -179.125 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 -102.44 1.73 35.63 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 122.971 0.508 . . . . 2.62 110.577 -178.069 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.706 HD12 ' HA ' ' A' ' 72' ' ' ALA . 71.4 mt -97.99 -65.69 0.95 Allowed 'General case' 0 C--N 1.311 -1.066 0 C-N-CA 120.296 -0.562 . . . . 1.67 112.262 -173.601 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . 0.465 0.0 OUTLIER 61.42 -22.14 0.04 OUTLIER 'General case' 0 N--CA 1.505 2.304 0 N-CA-C 117.95 2.574 . . . . 3.58 117.95 179.409 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -128.33 157.18 41.7 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 121.793 -0.567 . . . . 1.09 111.529 175.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.708 HG21 ' O ' ' A' ' 27' ' ' LYS . 6.9 m -57.4 -51.45 69.5 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 C-N-CA 123.658 0.783 . . . . 1.15 112.585 -178.227 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.461 ' H ' HG22 ' A' ' 69' ' ' VAL . . . -61.6 -33.99 86.94 Favored Glycine 0 C--O 1.211 -1.294 0 N-CA-C 112.312 -0.315 . . . . 0.36 112.312 179.235 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -73.71 -37.31 65.2 Favored 'General case' 0 C--N 1.312 -1.057 0 C-N-CA 122.024 0.13 . . . . 1.79 110.733 179.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.706 ' HA ' HD12 ' A' ' 66' ' ' LEU . . . -58.96 -55.92 28.92 Favored 'General case' 0 CA--C 1.517 -0.318 0 N-CA-C 107.945 -1.131 . . . . 1.08 107.945 173.334 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 87.3 m -48.62 -42.14 33.16 Favored 'General case' 0 C--O 1.208 -1.123 0 C-N-CA 125.162 1.385 . . . . 1.15 112.129 173.065 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 45.8 tptt -60.69 -38.02 83.57 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 122.924 0.49 . . . . 3.35 110.519 -179.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.432 ' O ' ' HB2' ' A' ' 79' ' ' HIS . 63.3 t80 -72.56 -44.79 61.62 Favored 'General case' 0 C--O 1.214 -0.795 0 N-CA-C 108.003 -1.11 . . . . 1.19 108.003 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.679 HG12 HD12 ' A' ' 58' ' ' ILE . 80.2 mt -59.55 -50.93 78.1 Favored 'Isoleucine or valine' 0 C--O 1.194 -1.826 0 C-N-CA 124.678 1.191 . . . . 1.07 110.051 178.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.535 ' HA ' HE21 ' A' ' 80' ' ' GLN . 3.3 tm? -59.49 -34.35 72.47 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.083 0.468 . . . . 1.76 110.796 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -79.6 -39.47 31.58 Favored 'General case' 0 C--N 1.289 -2.059 0 CA-C-O 121.738 0.78 . . . . 0.67 110.934 -179.181 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.432 ' HB2' ' O ' ' A' ' 75' ' ' TYR . 9.2 m-70 -90.82 5.22 49.3 Favored 'General case' 0 C--N 1.296 -1.733 0 CA-C-N 114.778 -1.101 . . . . 1.87 113.017 -176.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.535 HE21 ' HA ' ' A' ' 77' ' ' LEU . 59.5 mm-40 -36.97 127.67 0.9 Allowed 'General case' 0 C--O 1.244 0.785 0 N-CA-C 115.661 1.726 . . . . 1.31 115.661 178.716 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.414 -2.228 0 N-CA-C 106.902 -1.518 . . . . 2.36 106.902 173.036 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.597 ' O ' HG13 ' A' ' 7' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.419 -2.009 0 N-CA-C 108.879 -0.785 . . . . 1.6 108.879 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.405 ' HA ' HD12 ' A' ' 7' ' ' ILE . 52.7 mt-30 -52.45 -34.0 46.82 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.391 0.677 . . . . 1.66 112.185 -175.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -71.42 -32.11 68.01 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.641 -0.709 . . . . 2.3 109.63 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -78.8 -30.42 45.46 Favored 'General case' 0 C--N 1.306 -1.304 0 CA-C-N 114.903 -1.044 . . . . 1.92 108.987 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.597 HG13 ' O ' ' A' ' 3' ' ' THR . 38.7 mt -67.66 -55.76 15.79 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.295 0 N-CA-C 108.167 -1.049 . . . . 1.08 108.167 176.096 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.435 HG22 HD12 ' A' ' 28' ' ' LEU . 71.9 t -57.31 -35.02 47.48 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.142 0 CA-C-N 116.362 -0.381 . . . . 1.1 111.197 176.699 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.12 -39.05 75.7 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-O 121.012 0.434 . . . . 1.08 110.046 177.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.81 -44.47 94.69 Favored Glycine 0 CA--C 1.49 -1.469 0 N-CA-C 110.12 -1.192 . . . . 0.31 110.12 178.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.514 ' O ' HG22 ' A' ' 15' ' ' VAL . 92.1 mt -58.98 -43.41 91.38 Favored 'General case' 0 C--N 1.308 -1.23 0 N-CA-C 110.35 -0.241 . . . . 1.02 110.35 175.584 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.617 ' HA ' HG13 ' A' ' 26' ' ' VAL . . . -58.64 -43.31 89.72 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 123.059 0.544 . . . . 1.08 112.212 179.433 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -68.2 -37.23 80.69 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.3 -0.56 . . . . 1.46 111.562 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 89.6 mt -61.25 -46.36 96.78 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 CA-C-N 115.493 -0.776 . . . . 1.16 109.16 174.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.514 HG22 ' O ' ' A' ' 11' ' ' LEU . 77.9 t -60.66 -45.58 97.23 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.174 0 CA-C-N 115.713 -0.676 . . . . 1.1 111.05 178.647 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -65.07 -32.74 74.6 Favored 'General case' 0 C--N 1.303 -1.42 0 CA-C-O 121.349 0.595 . . . . 0.64 111.079 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -70.58 -54.32 12.52 Favored 'General case' 0 C--N 1.304 -1.384 0 C-N-CA 123.761 0.825 . . . . 2.0 111.562 177.042 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.627 HG23 ' HB2' ' A' ' 45' ' ' GLU . 66.2 mt -91.23 -52.87 9.66 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.914 0 N-CA-C 112.736 0.643 . . . . 1.1 112.736 -173.199 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.441 ' CB ' HG13 ' A' ' 38' ' ' VAL . . . -73.38 -43.12 61.25 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.442 0.639 . . . . 0.93 109.564 -179.264 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 90.73 37.59 6.41 Favored Glycine 0 N--CA 1.443 -0.873 0 CA-C-N 115.134 -0.939 . . . . 0.46 110.845 -178.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.453 ' HA ' ' HD2' ' A' ' 22' ' ' PRO . 47.6 mm -116.82 137.68 23.96 Favored Pre-proline 0 C--N 1.318 -0.779 0 N-CA-C 109.001 -0.74 . . . . 1.2 109.001 -177.445 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.469 ' O ' HG21 ' A' ' 26' ' ' VAL . 6.5 Cg_exo -33.04 128.69 0.12 Allowed 'Trans proline' 0 C--N 1.364 1.387 1 C-N-CA 125.482 4.121 . . . . 0.47 114.818 175.001 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.4 t -67.27 -5.74 4.07 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 CA-C-O 122.683 1.23 . . . . 1.4 109.488 -179.141 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.41 ' H ' ' C ' ' A' ' 22' ' ' PRO . 13.3 pt-20 -110.24 -9.4 14.67 Favored 'General case' 0 N--CA 1.407 -2.59 0 CA-C-N 114.933 -1.031 . . . . 2.34 112.017 -177.015 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -92.68 -17.63 24.03 Favored 'General case' 0 CA--C 1.496 -1.105 0 N-CA-C 107.736 -1.209 . . . . 0.69 107.736 179.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.617 HG13 ' HA ' ' A' ' 12' ' ' ALA . 25.0 t -82.96 61.6 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.313 -1.004 0 CA-C-N 114.321 -1.309 . . . . 1.17 108.959 -178.589 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.631 ' O ' HG23 ' A' ' 69' ' ' VAL . 28.6 pttt -91.76 172.42 8.49 Favored 'General case' 0 N--CA 1.422 -1.864 0 CA-C-N 114.071 -1.422 . . . . 2.23 108.081 176.084 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.559 ' HA ' HG21 ' A' ' 69' ' ' VAL . 3.3 tt -68.85 -2.46 9.63 Favored 'General case' 0 CA--C 1.555 1.17 0 N-CA-C 113.816 1.043 . . . . 1.7 113.816 -167.234 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -85.45 -15.79 41.82 Favored 'General case' 0 C--N 1.284 -2.255 0 C-N-CA 125.164 1.386 . . . . 2.11 109.964 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.44 ' HB3' ' HG ' ' A' ' 36' ' ' LEU . 60.0 mmtt -82.23 126.09 31.69 Favored 'General case' 0 C--N 1.298 -1.655 0 N-CA-C 116.055 1.872 . . . . 1.65 116.055 -168.123 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.7 p -95.02 22.16 6.9 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 113.748 -1.569 . . . . 1.66 112.458 -178.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.588 ' HB3' ' HE1' ' A' ' 43' ' ' MET . 65.9 m-85 58.15 -108.55 0.42 Allowed 'General case' 0 C--O 1.246 0.88 0 N-CA-C 113.442 0.905 . . . . 0.61 113.442 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.537 HG21 ' HB ' ' A' ' 38' ' ' VAL . 1.5 p -74.95 56.33 0.74 Allowed 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 121.792 0.806 . . . . 1.08 112.765 178.691 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -161.23 -48.69 0.04 OUTLIER 'General case' 0 C--N 1.299 -1.623 0 CA-C-N 114.781 -1.1 . . . . 0.73 109.317 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -108.24 -41.56 4.86 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.516 -0.473 . . . . 1.46 111.351 -179.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.473 HD11 ' HA ' ' A' ' 32' ' ' PHE . 96.1 mt -76.21 -39.91 53.49 Favored 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 109.883 -0.414 . . . . 1.12 109.883 178.106 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.3 t70 69.92 93.47 0.08 Allowed 'General case' 0 CA--C 1.503 -0.835 0 C-N-CA 125.082 1.353 . . . . 1.14 108.618 -178.181 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.537 ' HB ' HG21 ' A' ' 33' ' ' THR . 75.1 t -106.49 -92.62 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.288 -2.088 0 CA-C-N 114.077 -1.42 . . . . 2.39 110.111 -170.587 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.1 t70 164.77 -175.49 0.02 OUTLIER 'General case' 0 CA--C 1.506 -0.736 0 N-CA-C 103.032 -2.951 . . . . 0.79 103.032 -177.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.428 ' O ' HG23 ' A' ' 44' ' ' VAL . 41.0 p -108.92 -29.76 8.45 Favored 'General case' 0 C--N 1.276 -2.62 0 CA-C-N 118.392 0.542 . . . . 1.37 110.745 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.449 ' O ' ' HG2' ' A' ' 45' ' ' GLU . 76.2 mt -71.99 -36.68 69.85 Favored 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 106.639 -1.615 . . . . 1.58 106.639 178.27 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.513 ' O ' HG22 ' A' ' 46' ' ' VAL . 33.5 t -71.92 -37.8 69.98 Favored 'General case' 0 N--CA 1.415 -2.203 0 CA-C-N 113.284 -1.78 . . . . 1.26 108.469 177.481 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.588 ' HE1' ' HB3' ' A' ' 32' ' ' PHE . 29.9 tpp -57.99 -47.79 81.94 Favored 'General case' 0 CA--C 1.519 -0.22 0 C-N-CA 123.249 0.62 . . . . 1.22 111.331 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.492 ' O ' HG22 ' A' ' 48' ' ' VAL . 83.9 t -60.2 -41.47 86.91 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.11 0 CA-C-N 115.414 -0.812 . . . . 1.25 110.054 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.627 ' HB2' HG23 ' A' ' 18' ' ' ILE . 10.7 mm-40 -67.18 -35.38 79.52 Favored 'General case' 0 N--CA 1.444 -0.753 0 O-C-N 123.348 0.405 . . . . 2.08 109.917 -179.582 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.513 HG22 ' O ' ' A' ' 42' ' ' SER . 92.7 t -60.77 -45.48 97.77 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 N-CA-C 109.596 -0.52 . . . . 1.21 109.596 176.38 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.534 HG21 HG22 ' A' ' 63' ' ' VAL . 45.8 t -56.49 -61.69 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 N-CA-C 108.306 -0.998 . . . . 1.1 108.306 175.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.492 HG22 ' O ' ' A' ' 44' ' ' VAL . 93.4 t -40.47 -58.1 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.055 0 O-C-N 124.445 1.091 . . . . 1.36 111.55 173.537 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.94 -36.13 82.95 Favored 'General case' 0 C--O 1.21 -1.006 0 N-CA-C 112.798 0.666 . . . . 1.13 112.798 -177.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.15 -42.52 98.7 Favored 'General case' 0 C--O 1.25 1.122 0 N-CA-C 109.904 -0.406 . . . . 1.14 109.904 177.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.572 ' HG2' ' H ' ' A' ' 58' ' ' ILE . 45.0 mt-10 -59.98 -44.36 94.54 Favored 'General case' 0 C--O 1.21 -0.985 0 CA-C-N 115.221 -0.899 . . . . 1.36 109.794 177.616 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -77.55 -26.12 50.7 Favored 'General case' 0 C--N 1.306 -1.322 0 N-CA-C 112.788 0.662 . . . . 2.09 112.788 -176.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 17.0 tpt85 -83.07 -34.86 26.08 Favored 'General case' 0 C--N 1.307 -1.266 0 CA-C-O 120.767 0.318 . . . . 3.27 111.195 -174.204 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.521 ' CD2' HD13 ' A' ' 76' ' ' ILE . 36.0 m-85 -112.6 -1.24 14.91 Favored 'General case' 0 C--N 1.305 -1.345 0 C-N-CA 120.281 -0.567 . . . . 1.11 111.054 -177.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 65.06 16.38 10.53 Favored 'General case' 0 N--CA 1.493 1.676 0 C-N-CA 125.235 1.414 . . . . 2.02 112.905 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.517 HG13 ' HB2' ' A' ' 54' ' ' PHE . 5.8 p -100.98 122.53 53.15 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.5 0 CA-C-N 115.359 -0.837 . . . . 1.87 110.41 -177.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 49.1 tptt -64.84 104.56 0.86 Allowed 'General case' 0 C--N 1.296 -1.731 0 CA-C-N 115.258 -0.883 . . . . 2.26 110.476 175.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.663 HD11 HG12 ' A' ' 76' ' ' ILE . 51.0 mt -115.98 99.08 52.28 Favored Pre-proline 0 C--N 1.305 -1.366 0 N-CA-C 106.305 -1.739 . . . . 1.23 106.305 175.541 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.504 ' HD2' ' HB2' ' A' ' 62' ' ' ASP . 7.9 Cg_exo -70.04 142.79 47.61 Favored 'Trans proline' 0 N--CA 1.443 -1.446 0 C-N-CA 121.53 1.487 . . . . 0.76 111.924 -177.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.406 ' O ' HG13 ' A' ' 63' ' ' VAL . 4.1 m-20 -44.13 -25.13 0.2 Allowed 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 124.784 1.234 . . . . 2.0 112.171 170.638 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -73.13 -59.32 2.76 Favored 'General case' 0 C--N 1.317 -0.829 0 C-N-CA 123.289 0.636 . . . . 2.09 109.94 176.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.504 ' HB2' ' HD2' ' A' ' 59' ' ' PRO . 76.0 m-20 -66.73 -31.05 71.46 Favored 'General case' 0 CA--C 1.481 -1.71 0 CA-C-N 116.046 -0.525 . . . . 1.58 111.769 -176.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.534 HG22 HG21 ' A' ' 47' ' ' VAL . 2.9 p -61.16 -23.52 30.33 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.396 0 O-C-N 123.544 0.527 . . . . 1.39 110.977 -178.214 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 42.1 mttm -71.87 -19.73 61.91 Favored 'General case' 0 C--N 1.347 0.476 0 CA-C-O 121.564 0.697 . . . . 2.97 110.147 -179.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 -88.98 -18.79 26.68 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-N 115.519 -0.764 . . . . 2.62 110.446 -177.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.788 HD13 ' HA ' ' A' ' 72' ' ' ALA . 64.2 mt -76.52 -66.9 0.75 Allowed 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 115.69 -0.686 . . . . 1.67 109.286 -178.094 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . 0.29 38.6 mmtt 71.84 -39.55 0.45 Allowed 'General case' 0 C--N 1.314 -0.975 0 N-CA-C 116.397 1.999 . . . . 3.58 116.397 178.165 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 17.8 p -111.61 156.27 22.05 Favored 'General case' 0 C--N 1.264 -3.112 0 C-N-CA 119.281 -0.968 . . . . 1.09 111.402 179.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.631 HG23 ' O ' ' A' ' 27' ' ' LYS . 4.0 m -52.23 -47.71 44.47 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.577 0 CA-C-N 114.382 -1.281 . . . . 1.15 110.879 176.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.456 ' CA ' ' HG ' ' A' ' 28' ' ' LEU . . . -69.18 -31.57 72.02 Favored Glycine 0 N--CA 1.439 -1.115 0 CA-C-N 116.127 -0.488 . . . . 0.36 113.591 -179.296 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -74.28 -38.37 63.42 Favored 'General case' 0 CA--C 1.505 -0.784 0 N-CA-C 107.843 -1.169 . . . . 1.79 107.843 -179.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.788 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -58.87 -54.38 47.76 Favored 'General case' 0 C--O 1.212 -0.883 0 CA-C-N 114.918 -1.037 . . . . 1.08 108.556 174.64 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.564 ' HA ' HG23 ' A' ' 7' ' ' ILE . 96.9 m -48.37 -48.27 36.82 Favored 'General case' 0 C--O 1.195 -1.78 0 C-N-CA 123.953 0.901 . . . . 1.15 112.15 173.466 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.8 ttpp -55.91 -40.17 72.67 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 118.301 0.501 . . . . 3.35 111.267 177.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.557 ' O ' ' HB2' ' A' ' 79' ' ' HIS . 69.9 t80 -69.72 -47.28 63.69 Favored 'General case' 0 C--O 1.21 -1.008 0 N-CA-C 108.452 -0.944 . . . . 1.19 108.452 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.663 HG12 HD11 ' A' ' 58' ' ' ILE . 96.0 mt -59.71 -51.63 70.57 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.958 0 CA-C-N 115.357 -0.838 . . . . 1.07 110.087 179.257 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.486 ' HA ' HE21 ' A' ' 80' ' ' GLN . 27.2 tp -52.84 -43.09 65.77 Favored 'General case' 0 C--N 1.316 -0.85 0 C-N-CA 124.195 0.998 . . . . 1.76 111.379 -179.255 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -85.47 -41.63 15.19 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 123.718 0.636 . . . . 0.67 112.11 -174.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.557 ' HB2' ' O ' ' A' ' 75' ' ' TYR . 0.2 OUTLIER -72.14 -55.77 6.72 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-N 115.854 -0.612 . . . . 1.87 110.408 -176.901 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.486 HE21 ' HA ' ' A' ' 77' ' ' LEU . 86.3 mm-40 49.22 -172.69 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.083 0.953 . . . . 1.31 112.797 -174.67 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.293 -1.866 0 N-CA-C 107.35 -1.352 . . . . 2.36 107.35 173.401 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.572 ' O ' ' HB3' ' A' ' 6' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.428 -1.55 0 N-CA-C 106.609 -1.626 . . . . 1.6 106.609 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.572 ' HA ' HD13 ' A' ' 7' ' ' ILE . 52.4 mt-30 -49.72 -39.51 37.38 Favored 'General case' 0 N--CA 1.486 1.33 0 N-CA-C 115.989 1.848 . . . . 1.66 115.989 -171.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -79.04 -24.54 43.54 Favored 'General case' 0 C--N 1.298 -1.65 0 CA-C-O 121.45 0.643 . . . . 2.3 109.696 -178.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.572 ' HB3' ' O ' ' A' ' 3' ' ' THR . 40.1 tt0 -74.78 -30.78 61.55 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 107.771 -1.196 . . . . 1.92 107.771 176.006 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.572 HD13 ' HA ' ' A' ' 4' ' ' GLN . 45.8 mt -64.75 -57.4 11.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 107.177 -1.416 . . . . 1.08 107.177 172.555 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.439 ' HA ' HD11 ' A' ' 11' ' ' LEU . 95.4 t -54.85 -38.45 44.51 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.871 0 CA-C-N 115.812 -0.631 . . . . 1.1 110.972 177.124 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.83 -41.54 99.37 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 122.57 0.348 . . . . 1.08 111.237 177.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.24 -39.96 97.53 Favored Glycine 0 CA--C 1.493 -1.321 0 N-CA-C 109.81 -1.316 . . . . 0.31 109.81 177.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.513 ' O ' HG21 ' A' ' 15' ' ' VAL . 96.3 mt -60.79 -50.88 71.68 Favored 'General case' 0 C--N 1.313 -0.982 0 N-CA-C 109.664 -0.495 . . . . 1.02 109.664 175.768 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.0 -44.72 74.79 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 124.341 1.056 . . . . 1.08 112.369 -178.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -65.3 -36.02 82.77 Favored 'General case' 0 C--O 1.241 0.635 0 N-CA-C 112.274 0.472 . . . . 1.46 112.274 -179.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 97.1 mt -68.68 -48.76 69.88 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.303 0 CA-C-N 115.465 -0.789 . . . . 1.16 109.385 176.061 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.528 HG13 ' HB ' ' A' ' 21' ' ' ILE . 95.3 t -56.93 -47.42 83.26 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.33 0 CA-C-N 115.673 -0.694 . . . . 1.1 110.393 178.721 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -62.64 -32.41 73.45 Favored 'General case' 0 C--N 1.298 -1.658 0 CA-C-O 120.981 0.419 . . . . 0.64 111.534 -179.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -76.51 -51.16 12.25 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 115.615 -0.72 . . . . 2.0 111.03 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.608 HG22 ' HB2' ' A' ' 45' ' ' GLU . 83.6 mt -89.01 -53.57 9.22 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.095 0 CA-C-O 121.155 0.502 . . . . 1.1 112.16 -174.485 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.429 ' CB ' HG11 ' A' ' 38' ' ' VAL . . . -76.19 -36.41 58.68 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 116.26 -0.427 . . . . 0.93 110.363 -177.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.66 32.56 18.42 Favored Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 110.966 -0.854 . . . . 0.46 110.966 -178.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.528 ' HB ' HG13 ' A' ' 15' ' ' VAL . 50.3 mm -110.9 133.04 21.35 Favored Pre-proline 0 C--N 1.318 -0.794 0 O-C-N 122.911 -0.17 . . . . 1.2 110.724 -176.115 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.49 ' HD2' ' HA ' ' A' ' 21' ' ' ILE . 11.4 Cg_exo -31.4 123.42 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.124 1 C-N-CA 126.078 4.518 . . . . 0.47 115.105 173.668 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 90.6 t -57.14 -34.68 45.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 113.948 -1.478 . . . . 1.4 109.986 -179.058 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -98.6 2.39 47.32 Favored 'General case' 0 N--CA 1.423 -1.792 0 N-CA-C 113.533 0.938 . . . . 2.34 113.533 -177.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.537 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 29.8 t70 -86.35 -25.3 25.46 Favored 'General case' 0 CA--C 1.503 -0.831 0 N-CA-C 106.061 -1.829 . . . . 0.69 106.061 172.38 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.697 HG11 HG13 ' A' ' 69' ' ' VAL . 55.8 t -72.17 78.61 0.29 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.833 0 CA-C-N 114.029 -1.441 . . . . 1.17 108.906 173.41 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.451 ' O ' HG22 ' A' ' 69' ' ' VAL . 62.6 mttm -91.84 -135.77 0.15 Allowed 'General case' 0 C--N 1.307 -1.242 0 CA-C-N 113.838 -1.528 . . . . 2.23 107.689 178.638 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.452 ' HA ' HG23 ' A' ' 69' ' ' VAL . 0.3 OUTLIER -114.68 -14.57 12.02 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 118.842 0.747 . . . . 1.7 111.401 174.504 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -88.72 2.58 53.13 Favored 'General case' 0 C--N 1.295 -1.781 0 C-N-CA 125.717 1.607 . . . . 2.11 109.463 -173.056 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.537 ' HG3' ' O ' ' A' ' 25' ' ' ASP . 75.8 mmtt -98.28 115.73 29.0 Favored 'General case' 0 C--N 1.275 -2.652 0 CA-C-N 114.027 -1.442 . . . . 1.65 114.049 -170.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.461 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 5.5 m -86.9 113.31 22.58 Favored 'General case' 0 N--CA 1.402 -2.869 0 N-CA-C 105.197 -2.149 . . . . 1.66 105.197 170.558 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.681 ' HA ' HD11 ' A' ' 36' ' ' LEU . 89.6 m-85 -31.3 -82.96 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 114.684 1.365 . . . . 0.61 114.684 177.788 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.642 HG23 ' HB ' ' A' ' 38' ' ' VAL . 0.8 OUTLIER -81.94 64.77 6.78 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 114.539 1.311 . . . . 1.08 114.539 177.347 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -175.73 -53.0 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.719 -0.673 . . . . 0.73 110.325 174.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -88.85 -47.71 7.99 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 115.867 -0.606 . . . . 1.46 110.541 178.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.681 HD11 ' HA ' ' A' ' 32' ' ' PHE . 96.5 mt -76.14 -44.61 37.51 Favored 'General case' 0 CA--C 1.505 -0.771 0 CA-C-N 116.125 -0.489 . . . . 1.12 109.982 -179.709 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.0 t70 79.59 86.84 0.06 Allowed 'General case' 0 CA--C 1.505 -0.751 0 C-N-CA 125.639 1.575 . . . . 1.14 109.543 177.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.642 ' HB ' HG23 ' A' ' 33' ' ' THR . 55.8 t -100.26 -102.96 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.423 -1.797 0 CA-C-N 114.275 -1.33 . . . . 2.39 109.114 -177.128 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.9 t70 176.26 -173.42 0.09 Allowed 'General case' 0 C--N 1.31 -1.109 0 N-CA-C 105.988 -1.856 . . . . 0.79 105.988 -177.187 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 66.0 m -83.51 -44.78 14.32 Favored 'General case' 0 C--N 1.294 -1.83 0 CA-C-O 121.699 0.761 . . . . 1.37 109.883 -178.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 87.5 mt -78.73 -45.11 21.94 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-N 115.021 -0.991 . . . . 1.58 112.429 -169.002 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.532 ' O ' HG21 ' A' ' 46' ' ' VAL . 2.9 p -70.08 -23.42 63.07 Favored 'General case' 0 N--CA 1.424 -1.772 0 CA-C-N 115.308 -0.86 . . . . 1.26 110.869 -175.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.621 ' HE2' ' HB3' ' A' ' 32' ' ' PHE . 25.3 tpp -61.54 -43.46 98.82 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.538 -0.755 . . . . 1.22 110.63 177.472 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 48.6 t -69.98 -32.96 53.33 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.97 0 CA-C-N 115.411 -0.813 . . . . 1.25 109.507 -177.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.608 ' HB2' HG22 ' A' ' 18' ' ' ILE . 46.6 mt-10 -68.65 -37.45 79.68 Favored 'General case' 0 N--CA 1.437 -1.121 0 N-CA-C 109.717 -0.475 . . . . 2.08 109.717 178.507 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.532 HG21 ' O ' ' A' ' 42' ' ' SER . 86.0 t -58.87 -47.48 89.35 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.297 0 N-CA-C 109.466 -0.568 . . . . 1.21 109.466 176.214 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.449 HG23 HG21 ' A' ' 63' ' ' VAL . 62.6 t -54.8 -63.67 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 O-C-N 123.58 0.55 . . . . 1.1 109.554 176.069 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 76.2 t -45.03 -53.55 1.54 Allowed 'Isoleucine or valine' 0 CA--C 1.553 1.08 0 O-C-N 124.202 0.939 . . . . 1.36 112.1 177.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.98 -36.82 85.22 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 111.918 0.34 . . . . 1.13 111.918 -178.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.64 -37.27 85.67 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.588 0.232 . . . . 1.14 111.143 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.572 ' HG2' ' H ' ' A' ' 58' ' ' ILE . 43.0 mt-10 -57.55 -47.71 81.31 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.181 0.515 . . . . 1.36 109.878 177.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -76.06 -40.61 52.87 Favored 'General case' 0 C--N 1.306 -1.3 0 CA-C-N 115.943 -0.572 . . . . 2.09 111.962 -178.056 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 22.1 tpt180 -68.06 -35.09 77.65 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.405 0.621 . . . . 3.27 110.704 -172.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.428 ' CD2' HG21 ' A' ' 76' ' ' ILE . 6.6 m-85 -97.53 -4.03 38.65 Favored 'General case' 0 C--N 1.299 -1.616 0 CA-C-N 115.242 -0.89 . . . . 1.11 110.519 -177.083 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 62.65 19.63 11.47 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 124.625 1.17 . . . . 2.02 112.177 179.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.415 HG22 ' HB2' ' A' ' 54' ' ' PHE . 32.1 m -109.83 -166.72 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.352 0 CA-C-N 115.62 -0.718 . . . . 1.87 109.233 -178.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.401 ' HD2' ' O ' ' A' ' 56' ' ' VAL . 13.9 mmmm -128.68 120.43 26.5 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 108.633 -0.877 . . . . 2.26 108.633 172.364 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.572 ' H ' ' HG2' ' A' ' 51' ' ' GLU . 30.9 mt -127.45 86.08 59.38 Favored Pre-proline 0 C--N 1.296 -1.751 0 N-CA-C 105.39 -2.078 . . . . 1.23 105.39 177.027 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -69.09 143.39 53.94 Favored 'Trans proline' 0 N--CA 1.445 -1.374 0 C-N-CA 121.57 1.514 . . . . 0.76 112.921 -174.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.48 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 23.8 t70 -43.61 -27.97 0.35 Allowed 'General case' 0 C--O 1.207 -1.171 0 C-N-CA 124.994 1.318 . . . . 2.0 112.702 174.349 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -70.07 -59.1 3.11 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-O 120.757 0.313 . . . . 2.09 111.522 177.062 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -76.26 -22.75 54.76 Favored 'General case' 0 N--CA 1.486 1.328 0 N-CA-C 112.537 0.569 . . . . 1.58 112.537 -174.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.449 HG21 HG23 ' A' ' 47' ' ' VAL . 4.2 p -63.72 -22.45 30.97 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.57 0 CA-C-O 121.288 0.566 . . . . 1.39 110.786 -179.265 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.48 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 64.0 mttm -72.41 -2.71 20.43 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 115.692 -0.686 . . . . 2.97 112.566 -177.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -107.14 6.61 28.96 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-O 122.357 1.075 . . . . 2.62 108.731 176.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.769 HD12 ' HA ' ' A' ' 72' ' ' ALA . 64.0 mt -94.9 -68.12 0.82 Allowed 'General case' 0 C--O 1.201 -1.466 0 O-C-N 121.74 -0.6 . . . . 1.67 110.524 -179.706 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . 0.411 0.1 OUTLIER 59.7 -28.34 0.04 OUTLIER 'General case' 0 N--CA 1.5 2.052 0 N-CA-C 116.698 2.11 . . . . 3.58 116.698 178.598 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.461 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 66.8 p -111.88 169.05 9.1 Favored 'General case' 0 CA--C 1.488 -1.432 0 O-C-N 121.271 -0.893 . . . . 1.09 110.201 174.56 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.697 HG13 HG11 ' A' ' 26' ' ' VAL . 3.3 m -69.35 -36.62 72.97 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.287 0 CA-C-N 113.863 -1.517 . . . . 1.15 109.991 173.093 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -70.75 -47.9 37.74 Favored Glycine 0 N--CA 1.442 -0.923 0 CA-C-N 115.481 -0.782 . . . . 0.36 111.716 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -61.37 -39.32 90.21 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 110.083 -0.34 . . . . 1.79 110.083 177.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.769 ' HA ' HD12 ' A' ' 66' ' ' LEU . . . -57.99 -59.46 5.23 Favored 'General case' 0 C--O 1.217 -0.636 0 N-CA-C 109.673 -0.491 . . . . 1.08 109.673 177.699 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.493 ' HA ' HG22 ' A' ' 7' ' ' ILE . 92.4 m -48.91 -42.2 36.21 Favored 'General case' 0 C--O 1.214 -0.779 0 C-N-CA 124.277 1.031 . . . . 1.15 112.695 175.077 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -59.2 -40.22 85.07 Favored 'General case' 0 C--N 1.313 -1.008 0 C-N-CA 123.392 0.677 . . . . 3.35 110.123 179.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -76.41 -40.47 50.71 Favored 'General case' 0 C--O 1.216 -0.67 0 CA-C-N 115.855 -0.611 . . . . 1.19 109.641 178.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.518 HG13 ' O ' ' A' ' 72' ' ' ALA . 75.3 mt -66.51 -41.89 89.26 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.551 0 N-CA-C 109.946 -0.391 . . . . 1.07 109.946 -178.043 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.454 ' HA ' ' HG2' ' A' ' 80' ' ' GLN . 29.0 tp -65.56 -24.97 67.22 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 121.126 0.489 . . . . 1.76 110.136 178.745 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -84.79 -41.68 15.89 Favored 'General case' 0 C--N 1.307 -1.273 0 CA-C-N 115.381 -0.827 . . . . 0.67 110.44 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -91.17 5.57 48.5 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 115.371 -0.831 . . . . 1.87 112.197 -176.046 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.454 ' HG2' ' HA ' ' A' ' 77' ' ' LEU . 72.0 mm-40 -35.52 137.73 0.18 Allowed 'General case' 0 C--O 1.249 1.078 0 N-CA-C 115.123 1.527 . . . . 1.31 115.123 178.612 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.42 -1.954 0 CA-C-N 114.309 -1.314 . . . . 2.36 107.551 177.746 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.677 ' O ' HG13 ' A' ' 7' ' ' ILE . 64.2 p . . . . . 0 N--CA 1.426 -1.659 0 N-CA-C 107.448 -1.315 . . . . 1.6 107.448 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.541 ' HA ' HD12 ' A' ' 7' ' ' ILE . 52.7 mt-30 -69.74 -20.97 63.5 Favored 'General case' 0 C--N 1.275 -2.649 0 CA-C-O 121.367 0.603 . . . . 1.66 110.845 -177.355 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -73.93 -41.27 62.3 Favored 'General case' 0 C--O 1.204 -1.327 0 N-CA-C 108.279 -1.008 . . . . 2.3 108.279 176.092 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -61.45 -38.17 86.23 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.061 -0.972 . . . . 1.92 108.844 178.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.708 HG22 ' HA ' ' A' ' 73' ' ' THR . 52.3 mt -62.51 -60.45 2.72 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.844 0 CA-C-N 114.985 -1.007 . . . . 1.08 108.914 177.785 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.4 t -54.3 -40.46 48.05 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.082 0 CA-C-N 115.816 -0.629 . . . . 1.1 111.782 177.396 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.31 -40.02 95.08 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.013 0.435 . . . . 1.08 110.218 177.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.06 -40.06 96.77 Favored Glycine 0 C--O 1.209 -1.454 0 N-CA-C 110.088 -1.205 . . . . 0.31 110.088 177.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 94.6 mt -63.31 -47.12 83.58 Favored 'General case' 0 C--N 1.306 -1.32 0 N-CA-C 109.878 -0.416 . . . . 1.02 109.878 175.246 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.447 ' HA ' HG12 ' A' ' 26' ' ' VAL . . . -56.72 -43.77 80.94 Favored 'General case' 0 C--N 1.318 -0.787 0 C-N-CA 123.615 0.766 . . . . 1.08 112.466 -178.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -65.82 -43.77 87.6 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-O 121.004 0.43 . . . . 1.46 111.6 179.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.452 HG21 HD11 ' A' ' 18' ' ' ILE . 95.8 mt -63.24 -51.56 69.72 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.295 0 CA-C-N 115.607 -0.724 . . . . 1.16 110.102 178.514 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.418 HG21 ' HE1' ' A' ' 32' ' ' PHE . 89.3 t -61.01 -37.6 77.65 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 CA-C-N 115.771 -0.649 . . . . 1.1 111.383 -179.623 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.425 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 3.7 t-20 -65.62 -37.55 86.91 Favored 'General case' 0 C--N 1.305 -1.359 0 C-N-CA 120.277 -0.569 . . . . 0.64 110.578 -179.377 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -81.34 -48.13 12.38 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 116.099 -0.501 . . . . 2.0 111.828 -177.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.619 HG22 ' HB2' ' A' ' 45' ' ' GLU . 97.0 mt -81.33 -53.25 12.64 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.192 0 N-CA-C 112.038 0.385 . . . . 1.1 112.038 -176.677 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.709 ' HB2' HG21 ' A' ' 38' ' ' VAL . . . -79.68 -36.73 37.18 Favored 'General case' 0 C--N 1.31 -1.145 0 CA-C-O 121.219 0.533 . . . . 0.93 110.291 -176.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.86 7.96 60.93 Favored Glycine 0 C--N 1.31 -0.879 0 C-N-CA 120.75 -0.738 . . . . 0.46 111.297 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.633 HG21 HD22 ' A' ' 36' ' ' LEU . 51.0 mm -91.44 130.62 38.85 Favored Pre-proline 0 C--N 1.314 -0.966 0 N-CA-C 108.987 -0.746 . . . . 1.2 108.987 -178.785 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.484 ' HD2' ' HA ' ' A' ' 21' ' ' ILE . 6.5 Cg_exo -34.99 127.1 0.23 Allowed 'Trans proline' 0 C--N 1.352 0.756 1 C-N-CA 125.406 4.07 . . . . 0.47 114.981 175.713 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 71.1 t -51.2 -33.28 13.47 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.252 0 C-N-CA 124.787 1.235 . . . . 1.4 109.01 174.186 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -82.02 -25.09 34.98 Favored 'General case' 0 N--CA 1.413 -2.275 0 CA-C-N 113.966 -1.47 . . . . 2.34 112.276 -174.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.47 ' O ' ' HE3' ' A' ' 30' ' ' LYS . 26.9 t70 -82.99 -19.39 37.13 Favored 'General case' 0 CA--C 1.503 -0.842 0 N-CA-C 108.337 -0.986 . . . . 0.69 108.337 178.83 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 22' ' ' PRO . 58.4 t -73.75 76.51 0.37 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.694 0 CA-C-O 122.411 1.1 . . . . 1.17 108.743 175.008 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.588 ' O ' HG22 ' A' ' 69' ' ' VAL . 94.3 mttt -91.57 -145.71 0.2 Allowed 'General case' 0 C--N 1.305 -1.34 0 CA-C-N 114.05 -1.432 . . . . 2.23 108.406 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.0 tt -114.66 -13.93 12.07 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 119.386 0.994 . . . . 1.7 111.657 -175.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -87.99 -9.77 52.46 Favored 'General case' 0 C--N 1.301 -1.503 0 CA-C-O 122.466 1.127 . . . . 2.11 109.596 179.452 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.602 ' O ' HG21 ' A' ' 69' ' ' VAL . 66.8 mmtt -72.21 114.35 10.23 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-N 114.281 -1.327 . . . . 1.65 114.522 -172.053 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.485 ' HA ' HG23 ' A' ' 68' ' ' THR . 3.9 m -85.34 36.07 0.62 Allowed 'General case' 0 C--N 1.287 -2.126 0 CA-C-N 115.031 -0.986 . . . . 1.66 113.503 -178.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.659 ' HA ' HD12 ' A' ' 36' ' ' LEU . 50.2 m-85 48.97 -111.21 0.44 Allowed 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 114.318 1.229 . . . . 0.61 114.318 179.544 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.08 38.22 0.13 Allowed 'General case' 0 C--N 1.314 -0.943 0 N-CA-C 114.025 1.12 . . . . 1.08 114.025 -179.192 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.444 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 9.7 t70 -143.19 -66.53 0.37 Allowed 'General case' 0 C--N 1.296 -1.745 0 CA-C-N 114.881 -1.054 . . . . 0.73 108.598 177.402 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -76.59 -51.29 11.89 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 119.484 -0.886 . . . . 1.46 109.8 179.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.659 HD12 ' HA ' ' A' ' 32' ' ' PHE . 79.4 mt -66.33 -50.73 62.6 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 107.695 -1.224 . . . . 1.12 107.695 177.595 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.1 t70 66.43 90.72 0.09 Allowed 'General case' 0 CA--C 1.507 -0.699 0 CA-C-N 114.466 -1.243 . . . . 1.14 109.624 177.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.709 HG21 ' HB2' ' A' ' 19' ' ' ALA . 4.0 p -119.97 -89.23 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.412 -2.339 0 N-CA-C 114.456 1.28 . . . . 2.39 114.456 -179.316 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.585 ' H ' HG11 ' A' ' 38' ' ' VAL . 7.6 t70 -158.18 172.38 18.49 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 106.225 -1.769 . . . . 0.79 106.225 -172.335 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 47.6 t -95.51 -39.88 9.74 Favored 'General case' 0 C--N 1.265 -3.104 0 CA-C-O 121.895 0.855 . . . . 1.37 109.117 -174.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 68.2 mt -79.63 -24.99 41.52 Favored 'General case' 0 C--N 1.301 -1.543 0 CA-C-N 114.777 -1.101 . . . . 1.58 109.382 -172.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.499 ' O ' HG23 ' A' ' 46' ' ' VAL . 31.4 m -79.38 -26.82 41.9 Favored 'General case' 0 N--CA 1.423 -1.781 0 CA-C-N 115.138 -0.937 . . . . 1.26 109.532 176.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.479 ' CE ' ' HB3' ' A' ' 32' ' ' PHE . 32.7 tpp -67.59 -40.2 84.81 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.482 0.658 . . . . 1.22 110.284 -178.194 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.456 ' O ' HG22 ' A' ' 48' ' ' VAL . 40.4 t -67.18 -36.95 78.21 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.249 0 CA-C-N 115.373 -0.831 . . . . 1.25 109.758 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.619 ' HB2' HG22 ' A' ' 18' ' ' ILE . 31.6 mm-40 -66.3 -35.21 79.8 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 116.5 -0.318 . . . . 2.08 110.397 178.213 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 42' ' ' SER . 99.5 t -60.58 -45.16 97.68 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.644 0 N-CA-C 108.899 -0.778 . . . . 1.21 108.899 176.277 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.658 HG22 HG22 ' A' ' 63' ' ' VAL . 59.4 t -54.32 -62.47 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 N-CA-C 108.812 -0.81 . . . . 1.1 108.812 175.198 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.456 HG22 ' O ' ' A' ' 44' ' ' VAL . 95.5 t -41.68 -60.04 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 124.278 0.986 . . . . 1.36 111.218 175.42 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.6 -39.72 92.25 Favored 'General case' 0 C--O 1.218 -0.595 0 N-CA-C 112.61 0.596 . . . . 1.13 112.61 -177.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.3 -37.59 78.1 Favored 'General case' 0 C--O 1.241 0.636 0 C-N-CA 122.297 0.239 . . . . 1.14 111.243 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.605 ' HG2' ' H ' ' A' ' 58' ' ' ILE . 28.6 mt-10 -59.99 -42.16 93.62 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 116.282 -0.417 . . . . 1.36 110.596 177.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -81.35 -39.29 25.3 Favored 'General case' 0 C--N 1.309 -1.173 0 O-C-N 124.012 0.82 . . . . 2.09 111.644 -176.127 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 51.7 tpt85 -72.21 -36.76 69.25 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.422 0.629 . . . . 3.27 110.766 -174.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.51 ' CE2' HD13 ' A' ' 76' ' ' ILE . 24.3 m-85 -99.78 -16.72 18.0 Favored 'General case' 0 C--N 1.292 -1.892 0 C-N-CA 120.127 -0.629 . . . . 1.11 111.447 -178.588 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 33.5 t70 64.76 13.13 8.21 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 124.749 1.22 . . . . 2.02 110.236 -179.327 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.405 HG22 ' HB2' ' A' ' 54' ' ' PHE . 33.1 m -88.42 -13.43 9.94 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.83 0 CA-C-N 115.13 -0.941 . . . . 1.87 111.255 -175.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.417 ' HE2' ' OE1' ' A' ' 51' ' ' GLU . 14.2 mmmm 53.54 88.36 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 124.715 1.206 . . . . 2.26 112.139 -177.369 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.605 ' H ' ' HG2' ' A' ' 51' ' ' GLU . 23.9 mt -98.38 97.98 5.27 Favored Pre-proline 0 C--N 1.307 -1.247 0 N-CA-C 107.436 -1.32 . . . . 1.23 107.436 176.057 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -72.53 147.96 47.04 Favored 'Trans proline' 0 N--CA 1.44 -1.663 0 C-N-CA 120.968 1.112 . . . . 0.76 111.491 -177.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.578 ' O ' HG12 ' A' ' 63' ' ' VAL . 5.5 m-20 -42.72 -34.34 0.89 Allowed 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 125.166 1.387 . . . . 2.0 112.328 176.045 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.451 ' HA ' ' HE2' ' A' ' 64' ' ' LYS . 12.6 t70 -62.52 -56.97 13.03 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-O 121.186 0.517 . . . . 2.09 110.799 179.255 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -74.64 -27.66 60.54 Favored 'General case' 0 CA--C 1.487 -1.454 0 CA-C-N 116.267 -0.424 . . . . 1.58 111.111 -175.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.658 HG22 HG22 ' A' ' 47' ' ' VAL . 1.1 p -61.7 -22.86 29.32 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 CA-C-O 121.289 0.566 . . . . 1.39 110.823 -177.618 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.575 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 54.4 mtmt -71.4 -8.79 56.1 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-N 115.55 -0.75 . . . . 2.97 112.058 -179.068 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 28.7 m-80 -102.95 0.66 32.62 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 116.166 -0.47 . . . . 2.62 109.753 -178.089 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.616 HD11 ' HA ' ' A' ' 72' ' ' ALA . 70.9 mt -90.09 -62.86 1.37 Allowed 'General case' 0 C--N 1.312 -1.038 0 C-N-CA 120.718 -0.393 . . . . 1.67 110.866 -175.572 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . 0.522 0.0 OUTLIER 57.44 -6.23 0.04 OUTLIER 'General case' 0 CA--C 1.559 1.327 0 N-CA-C 118.405 2.742 . . . . 3.58 118.405 179.709 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.485 HG23 ' HA ' ' A' ' 31' ' ' SER . 57.2 p -137.19 172.85 12.38 Favored 'General case' 0 CA--C 1.498 -1.029 0 O-C-N 121.319 -0.863 . . . . 1.09 109.487 169.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.602 HG21 ' O ' ' A' ' 30' ' ' LYS . 2.4 m -69.91 -45.55 76.52 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.573 0 CA-C-N 114.757 -1.11 . . . . 1.15 109.783 171.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -63.47 -42.66 98.93 Favored Glycine 0 N--CA 1.446 -0.639 0 CA-C-N 116.178 -0.465 . . . . 0.36 112.936 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -70.76 -32.53 69.7 Favored 'General case' 0 CA--C 1.508 -0.673 0 O-C-N 122.463 -0.433 . . . . 1.79 110.395 178.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.616 ' HA ' HD11 ' A' ' 66' ' ' LEU . . . -60.55 -57.14 14.0 Favored 'General case' 0 C--O 1.208 -1.104 0 N-CA-C 108.245 -1.021 . . . . 1.08 108.245 173.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.708 ' HA ' HG22 ' A' ' 7' ' ' ILE . 85.2 m -47.7 -41.99 23.97 Favored 'General case' 0 C--O 1.209 -1.073 0 C-N-CA 124.365 1.066 . . . . 1.15 112.748 174.276 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -59.55 -42.28 92.03 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 118.109 0.413 . . . . 3.35 110.658 177.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.457 ' O ' ' HB2' ' A' ' 79' ' ' HIS . 55.0 t80 -72.21 -42.46 65.75 Favored 'General case' 0 C--O 1.205 -1.28 0 N-CA-C 109.137 -0.69 . . . . 1.19 109.137 179.78 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.6 HG12 HD11 ' A' ' 58' ' ' ILE . 76.0 mt -65.57 -43.87 94.03 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.288 0 CA-C-N 116.078 -0.51 . . . . 1.07 109.927 -178.818 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.454 ' HA ' HE21 ' A' ' 80' ' ' GLN . 21.0 tp -63.88 -26.26 68.53 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.205 0.526 . . . . 1.76 110.794 178.481 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -87.53 -34.3 18.66 Favored 'General case' 0 C--N 1.304 -1.411 0 CA-C-O 121.81 0.814 . . . . 0.67 110.425 -179.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.457 ' HB2' ' O ' ' A' ' 75' ' ' TYR . 0.2 OUTLIER -92.85 2.78 56.59 Favored 'General case' 0 C--N 1.308 -1.199 0 CA-C-N 114.991 -1.004 . . . . 1.87 111.172 -176.073 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.454 HE21 ' HA ' ' A' ' 77' ' ' LEU . 67.6 mm-40 -38.16 133.35 0.93 Allowed 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 115.575 1.694 . . . . 1.31 115.575 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.421 -1.907 0 N-CA-C 107.084 -1.45 . . . . 2.36 107.084 174.464 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.48 ' O ' HG13 ' A' ' 7' ' ' ILE . 23.8 m . . . . . 0 N--CA 1.424 -1.746 0 N-CA-C 108.109 -1.071 . . . . 1.6 108.109 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.445 ' HA ' HD12 ' A' ' 7' ' ' ILE . 27.0 mt-30 -49.26 -37.24 22.91 Favored 'General case' 0 N--CA 1.485 1.298 0 N-CA-C 112.809 0.67 . . . . 1.66 112.809 -178.247 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -64.45 -33.86 76.85 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 116.243 -0.435 . . . . 2.3 110.905 179.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -72.31 -37.97 68.82 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.078 -0.712 . . . . 1.92 109.078 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.492 HG22 ' HA ' ' A' ' 73' ' ' THR . 19.8 mt -63.0 -58.49 7.36 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.045 0 N-CA-C 108.393 -0.966 . . . . 1.08 108.393 179.395 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.481 HG21 HD11 ' A' ' 28' ' ' LEU . 57.4 t -54.53 -38.71 42.79 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.272 0 CA-C-N 115.618 -0.719 . . . . 1.1 111.287 177.546 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.403 ' O ' ' HG2' ' A' ' 13' ' ' GLU . . . -66.88 -41.74 86.73 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.606 0.241 . . . . 1.08 110.857 178.36 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.12 -41.4 99.75 Favored Glycine 0 N--CA 1.445 -0.702 0 N-CA-C 110.592 -1.003 . . . . 0.31 110.592 176.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.491 ' O ' HG22 ' A' ' 15' ' ' VAL . 76.9 mt -61.22 -45.86 92.84 Favored 'General case' 0 N--CA 1.436 -1.153 0 C-N-CA 123.127 0.571 . . . . 1.02 110.154 175.554 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.79 -41.58 77.95 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 123.894 0.878 . . . . 1.08 111.823 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.403 ' HG2' ' O ' ' A' ' 9' ' ' ALA . 7.8 mm-40 -53.94 -51.21 64.52 Favored 'General case' 0 N--CA 1.488 1.464 0 CA-C-O 122.132 0.968 . . . . 1.46 109.401 175.746 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 95.9 mt -63.42 -50.08 80.1 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.935 0 CA-C-N 113.38 -1.736 . . . . 1.16 110.674 -177.19 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.491 HG22 ' O ' ' A' ' 11' ' ' LEU . 90.6 t -58.25 -47.11 88.37 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.682 0 CA-C-N 115.959 -0.564 . . . . 1.1 110.481 178.799 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -64.71 -33.13 75.23 Favored 'General case' 0 C--N 1.302 -1.497 0 CA-C-O 121.085 0.469 . . . . 0.64 111.344 -177.382 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -69.87 -57.59 4.88 Favored 'General case' 0 C--N 1.304 -1.403 0 CA-C-N 115.593 -0.731 . . . . 2.0 110.719 177.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.729 HG21 ' HB3' ' A' ' 42' ' ' SER . 59.6 mt -82.95 -53.39 11.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.808 -0.633 . . . . 1.1 111.817 -171.292 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.683 ' HB1' HG12 ' A' ' 38' ' ' VAL . . . -75.94 -37.41 58.69 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.051 0.453 . . . . 0.93 110.278 -178.384 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 87.29 18.24 57.65 Favored Glycine 0 C--O 1.226 -0.392 0 N-CA-C 111.446 -0.662 . . . . 0.46 111.446 -178.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.426 ' HA ' ' HD2' ' A' ' 22' ' ' PRO . 51.4 mm -98.72 134.36 21.7 Favored Pre-proline 0 C--N 1.313 -1.009 0 N-CA-C 109.842 -0.429 . . . . 1.2 109.842 -177.024 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' ' 21' ' ' ILE . 20.1 Cg_exo -28.74 123.64 0.05 OUTLIER 'Trans proline' 0 C--N 1.371 1.756 1 C-N-CA 126.087 4.524 . . . . 0.47 115.108 174.775 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.46 ' O ' ' HB ' ' A' ' 26' ' ' VAL . 71.3 t -50.95 -47.69 29.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 113.87 -1.514 . . . . 1.4 108.828 176.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -79.67 -3.7 48.43 Favored 'General case' 0 N--CA 1.418 -2.026 0 N-CA-C 114.322 1.23 . . . . 2.34 114.322 -176.366 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.614 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 26.3 t70 -87.79 -16.45 34.11 Favored 'General case' 0 N--CA 1.437 -1.106 0 C-N-CA 118.088 -1.445 . . . . 0.69 108.503 175.776 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.472 HG11 HG13 ' A' ' 69' ' ' VAL . 20.6 t -72.93 85.47 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.394 0 CA-C-O 122.965 1.364 . . . . 1.17 108.245 172.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.605 ' NZ ' ' HA ' ' A' ' 25' ' ' ASP . 54.2 mttp -97.03 -134.12 0.23 Allowed 'General case' 0 C--N 1.303 -1.438 0 CA-C-N 112.805 -1.998 . . . . 2.23 107.589 179.174 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.649 ' HA ' HG23 ' A' ' 69' ' ' VAL . 8.2 mp -124.78 -17.25 5.94 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 118.987 0.812 . . . . 1.7 112.647 174.05 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -88.45 -0.76 57.54 Favored 'General case' 0 N--CA 1.491 1.623 0 CA-C-O 123.256 1.503 . . . . 2.11 109.181 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.663 ' O ' HG21 ' A' ' 69' ' ' VAL . 71.9 mmtt -86.44 97.66 10.59 Favored 'General case' 0 C--N 1.289 -2.056 0 CA-C-N 113.744 -1.571 . . . . 1.65 113.293 -175.414 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.625 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 12.0 m -70.94 111.69 6.53 Favored 'General case' 0 N--CA 1.401 -2.913 0 N-CA-C 107.333 -1.358 . . . . 1.66 107.333 171.534 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.721 ' HA ' HD11 ' A' ' 36' ' ' LEU . 77.0 m-85 -29.59 -88.56 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 114.53 1.308 . . . . 0.61 114.53 177.154 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.606 HG23 ' HB ' ' A' ' 38' ' ' VAL . 0.8 OUTLIER -82.81 66.87 8.63 Favored 'General case' 0 C--N 1.298 -1.671 0 N-CA-C 113.031 0.752 . . . . 1.08 113.031 176.105 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.625 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 23.0 t70 -169.77 -59.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.223 -0.899 . . . . 0.73 110.682 178.359 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -101.65 -31.03 11.01 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 121.488 0.661 . . . . 1.46 109.971 -175.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.721 HD11 ' HA ' ' A' ' 32' ' ' PHE . 88.2 mt -83.52 -49.95 8.75 Favored 'General case' 0 CA--C 1.507 -0.682 0 N-CA-C 109.477 -0.564 . . . . 1.12 109.477 175.337 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.6 t70 78.5 92.24 0.06 Allowed 'General case' 0 CA--C 1.512 -0.488 0 C-N-CA 125.471 1.509 . . . . 1.14 110.235 -178.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.683 HG12 ' HB1' ' A' ' 19' ' ' ALA . 84.5 t -102.15 -94.72 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.308 -1.227 0 CA-C-N 114.214 -1.357 . . . . 2.39 110.091 -173.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.6 t70 174.88 -178.37 0.1 Allowed 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 104.421 -2.437 . . . . 0.79 104.421 -178.385 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 24.3 t -98.54 -41.22 7.86 Favored 'General case' 0 C--N 1.267 -2.992 0 CA-C-O 121.469 0.652 . . . . 1.37 109.527 -174.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 83.8 mt -78.76 -31.55 46.23 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 108.835 -0.802 . . . . 1.58 108.835 -177.09 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.729 ' HB3' HG21 ' A' ' 18' ' ' ILE . 15.0 m -70.76 -29.46 65.69 Favored 'General case' 0 N--CA 1.422 -1.832 0 CA-C-N 114.312 -1.313 . . . . 1.26 109.795 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.638 ' HE1' ' HB3' ' A' ' 32' ' ' PHE . 31.2 tpp -62.77 -43.01 99.92 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 115.663 -0.699 . . . . 1.22 111.509 -177.702 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 47.7 t -70.78 -29.44 37.76 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.493 0 CA-C-N 115.614 -0.721 . . . . 1.25 109.859 -176.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -72.96 -35.72 66.99 Favored 'General case' 0 N--CA 1.439 -0.981 0 N-CA-C 109.7 -0.482 . . . . 2.08 109.7 177.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.526 HG21 ' O ' ' A' ' 42' ' ' SER . 93.3 t -59.27 -45.91 92.73 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 N-CA-C 109.25 -0.648 . . . . 1.21 109.25 176.702 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 43' ' ' MET . 59.9 t -55.81 -63.21 0.63 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 CA-C-N 115.817 -0.629 . . . . 1.1 109.354 176.308 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.621 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 87.4 t -49.48 -48.08 19.81 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.348 0 O-C-N 123.858 0.723 . . . . 1.36 112.277 179.105 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.01 -29.2 68.96 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 112.44 0.533 . . . . 1.13 112.44 -178.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.55 -37.91 83.39 Favored 'General case' 0 C--O 1.25 1.112 0 CA-C-O 120.707 0.289 . . . . 1.14 110.312 178.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.621 ' OE1' ' HA ' ' A' ' 48' ' ' VAL . 26.6 mt-10 -59.72 -48.56 81.21 Favored 'General case' 0 CA--C 1.518 -0.256 0 N-CA-C 107.918 -1.141 . . . . 1.36 107.918 177.439 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -64.3 -30.64 71.68 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-N 113.706 -1.588 . . . . 2.09 111.062 -178.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.425 ' HD2' ' HA ' ' A' ' 53' ' ' ARG . 20.2 tpt180 -80.73 -53.29 6.64 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-O 121.096 0.474 . . . . 3.27 110.738 -173.847 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.515 ' HB2' HG12 ' A' ' 56' ' ' VAL . 55.1 m-85 -93.39 -6.53 46.97 Favored 'General case' 0 C--N 1.3 -1.552 0 CA-C-N 115.865 -0.607 . . . . 1.11 112.561 -171.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.2 t70 70.74 16.48 6.74 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.834 1.253 . . . . 2.02 111.014 178.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.58 ' O ' ' HA ' ' A' ' 51' ' ' GLU . 3.7 p -107.72 116.12 50.44 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.527 0 N-CA-C 107.668 -1.234 . . . . 1.87 107.668 176.043 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.466 ' HZ2' ' CD ' ' A' ' 51' ' ' GLU . 4.9 tmtm? -73.16 96.77 2.28 Favored 'General case' 0 C--N 1.293 -1.854 0 CA-C-N 115.281 -0.872 . . . . 2.26 109.345 -175.487 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.559 ' H ' ' HG2' ' A' ' 51' ' ' GLU . 19.2 mt -101.04 99.12 9.83 Favored Pre-proline 0 C--N 1.312 -1.024 0 N-CA-C 108.216 -1.031 . . . . 1.23 108.216 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -74.13 149.82 41.7 Favored 'Trans proline' 0 N--CA 1.445 -1.358 0 C-N-CA 121.636 1.558 . . . . 0.76 111.091 -178.349 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.519 ' HA ' ' CG1' ' A' ' 63' ' ' VAL . 4.6 p-10 -59.92 -14.61 16.45 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 122.992 0.517 . . . . 2.0 111.183 178.134 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.427 ' HA ' ' HE2' ' A' ' 64' ' ' LYS . 28.0 t70 -68.25 -56.84 7.24 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.048 -0.524 . . . . 2.09 111.518 174.262 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -83.87 -25.36 30.31 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-O 121.104 0.478 . . . . 1.58 110.839 -175.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.519 ' CG1' ' HA ' ' A' ' 60' ' ' ASP . 1.4 p -57.35 -21.71 15.86 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.861 0 CA-C-N 115.768 -0.651 . . . . 1.39 111.363 -179.486 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.427 ' HE2' ' HA ' ' A' ' 61' ' ' ASP . 62.9 mttm -60.97 -13.16 14.28 Favored 'General case' 0 C--O 1.218 -0.591 0 C-N-CA 124.043 0.937 . . . . 2.97 112.853 -178.312 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 45.2 m-80 -91.28 -18.55 24.17 Favored 'General case' 0 CA--C 1.501 -0.912 0 N-CA-C 108.867 -0.79 . . . . 2.62 108.867 -179.377 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.763 HD11 ' HA ' ' A' ' 72' ' ' ALA . 14.1 mt -93.9 109.97 21.66 Favored 'General case' 0 N--CA 1.42 -1.972 0 N-CA-C 106.025 -1.843 . . . . 1.67 106.025 -179.516 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.78 -3.9 14.81 Favored 'General case' 0 C--N 1.28 -2.422 0 N-CA-C 113.539 0.94 . . . . 3.58 113.539 -178.481 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.564 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 81.3 p -129.44 176.13 8.21 Favored 'General case' 0 N--CA 1.432 -1.335 0 CA-C-O 121.397 0.618 . . . . 1.09 110.046 175.649 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.663 HG21 ' O ' ' A' ' 30' ' ' LYS . 2.2 m -66.71 -31.34 53.08 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.608 0 CA-C-N 114.243 -1.344 . . . . 1.15 110.098 171.41 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -73.8 -43.89 33.46 Favored Glycine 0 N--CA 1.431 -1.657 0 N-CA-C 110.495 -1.042 . . . . 0.36 110.495 178.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.505 ' HB3' ' HA ' ' A' ' 66' ' ' LEU . 10.6 m-20 -61.75 -41.87 98.23 Favored 'General case' 0 CA--C 1.5 -0.965 0 C-N-CA 122.169 0.188 . . . . 1.79 110.605 177.52 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.763 ' HA ' HD11 ' A' ' 66' ' ' LEU . . . -55.41 -59.77 4.34 Favored 'General case' 0 CA--C 1.517 -0.311 0 N-CA-C 108.973 -0.751 . . . . 1.08 108.973 176.58 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.492 ' HA ' HG22 ' A' ' 7' ' ' ILE . 91.6 m -48.71 -42.96 36.68 Favored 'General case' 0 C--O 1.192 -1.941 0 C-N-CA 124.011 0.924 . . . . 1.15 112.737 173.008 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -60.27 -33.19 71.97 Favored 'General case' 0 C--N 1.317 -0.83 0 C-N-CA 123.617 0.767 . . . . 3.35 111.068 -179.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.569 ' HB2' HD22 ' A' ' 66' ' ' LEU . 37.9 t80 -76.9 -54.85 6.05 Favored 'General case' 0 C--O 1.205 -1.241 0 N-CA-C 107.703 -1.221 . . . . 1.19 107.703 176.748 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.542 HG12 HD12 ' A' ' 58' ' ' ILE . 73.7 mt -56.56 -50.03 75.1 Favored 'Isoleucine or valine' 0 C--O 1.193 -1.918 0 C-N-CA 124.632 1.173 . . . . 1.07 111.373 -176.439 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 46.7 tp -53.5 -38.19 63.47 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.842 0.857 . . . . 1.76 111.349 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -87.08 -39.71 15.34 Favored 'General case' 0 C--N 1.293 -1.882 0 CA-C-N 114.511 -1.222 . . . . 0.67 111.446 -175.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 31.1 m-70 -90.62 5.33 48.41 Favored 'General case' 0 C--N 1.294 -1.808 0 CA-C-N 114.637 -1.165 . . . . 1.87 112.322 -175.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.504 ' NE2' HG22 ' A' ' 76' ' ' ILE . 69.5 mm-40 -37.92 140.62 0.25 Allowed 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 125.326 1.45 . . . . 1.31 114.547 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.418 -2.074 0 N-CA-C 107.099 -1.445 . . . . 2.36 107.099 174.652 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.541 ' O ' HG13 ' A' ' 7' ' ' ILE . 1.2 m . . . . . 0 N--CA 1.431 -1.385 0 N-CA-C 107.358 -1.349 . . . . 1.6 107.358 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.533 ' HA ' HD11 ' A' ' 7' ' ' ILE . 50.5 mt-30 -60.01 -29.85 68.75 Favored 'General case' 0 C--N 1.314 -0.955 0 N-CA-C 114.725 1.38 . . . . 1.66 114.725 -168.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -75.59 -37.48 59.82 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 108.077 -1.082 . . . . 2.3 108.077 -178.425 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.416 ' HB3' ' O ' ' A' ' 3' ' ' THR . 10.0 tp10 -62.71 -36.2 82.2 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 124.629 1.172 . . . . 1.92 108.667 175.259 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.541 HG13 ' O ' ' A' ' 3' ' ' THR . 46.8 mt -65.61 -57.5 10.57 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.471 0 N-CA-C 108.662 -0.866 . . . . 1.08 108.662 176.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.4 t -53.12 -39.06 31.98 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.957 0 CA-C-N 116.189 -0.459 . . . . 1.1 111.273 176.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.38 -38.45 84.75 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.182 0.515 . . . . 1.08 110.596 177.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.78 -35.12 91.54 Favored Glycine 0 C--O 1.206 -1.627 0 N-CA-C 110.476 -1.05 . . . . 0.31 110.476 178.135 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.48 ' O ' HG21 ' A' ' 15' ' ' VAL . 96.1 mt -68.31 -50.5 53.07 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 109.414 -0.587 . . . . 1.02 109.414 174.76 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -53.8 -43.39 69.28 Favored 'General case' 0 C--O 1.24 0.578 0 C-N-CA 124.166 0.986 . . . . 1.08 112.599 -177.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -64.73 -29.64 70.63 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-O 121.255 0.55 . . . . 1.46 111.923 -179.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.456 HD12 ' HB2' ' A' ' 53' ' ' ARG . 96.8 mt -80.04 -51.32 16.36 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.778 0 CA-C-N 115.688 -0.687 . . . . 1.16 109.197 179.461 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.48 HG21 ' O ' ' A' ' 11' ' ' LEU . 87.6 t -54.02 -43.97 60.71 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.443 0 CA-C-N 115.195 -0.911 . . . . 1.1 110.748 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -59.71 -34.2 72.6 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-O 120.735 0.302 . . . . 0.64 111.055 -179.391 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -83.1 -45.93 13.39 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 112.387 0.514 . . . . 2.0 112.387 -176.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.604 HG21 ' HB2' ' A' ' 45' ' ' GLU . 79.5 mt -88.54 -53.82 8.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 CA-C-O 121.338 0.59 . . . . 1.1 111.727 -175.041 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.646 ' HB1' HG12 ' A' ' 38' ' ' VAL . . . -74.83 -38.74 61.94 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-N 115.834 -0.621 . . . . 0.93 109.577 -177.718 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.33 36.28 11.05 Favored Glycine 0 N--CA 1.438 -1.208 0 N-CA-C 110.351 -1.1 . . . . 0.46 110.351 -178.442 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.634 HG22 HD22 ' A' ' 36' ' ' LEU . 46.8 mm -117.1 128.43 26.03 Favored Pre-proline 0 C--N 1.307 -1.249 0 N-CA-C 107.538 -1.282 . . . . 1.2 107.538 178.777 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 21' ' ' ILE . 3.8 Cg_exo -34.36 127.93 0.19 Allowed 'Trans proline' 0 C--N 1.351 0.678 1 C-N-CA 125.609 4.206 . . . . 0.47 115.161 176.504 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 91.5 t -53.14 -39.19 32.67 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 CA-C-N 114.541 -1.209 . . . . 1.4 108.164 174.594 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -79.73 -16.85 54.85 Favored 'General case' 0 C--N 1.29 -2.015 0 CA-C-N 113.583 -1.644 . . . . 2.34 112.726 -173.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.405 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 28.0 t70 -90.09 -14.76 33.09 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 108.303 -0.999 . . . . 0.69 108.303 -179.709 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.515 HG11 HG12 ' A' ' 69' ' ' VAL . 48.6 t -82.81 77.93 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.288 0 CA-C-O 122.851 1.31 . . . . 1.17 109.407 177.681 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.569 ' O ' HG22 ' A' ' 69' ' ' VAL . 15.6 pttt -110.13 170.52 8.02 Favored 'General case' 0 N--CA 1.422 -1.848 0 CA-C-N 113.484 -1.689 . . . . 2.23 108.389 175.549 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.628 ' HA ' HG23 ' A' ' 69' ' ' VAL . 5.3 tt -73.71 4.34 5.23 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 114.945 1.461 . . . . 1.7 114.945 -163.666 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -99.95 -0.43 39.43 Favored 'General case' 0 C--N 1.286 -2.192 0 O-C-N 121.436 -0.79 . . . . 2.11 110.146 175.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.539 ' O ' HG21 ' A' ' 69' ' ' VAL . 74.9 mmtt -89.6 117.86 28.8 Favored 'General case' 0 N--CA 1.419 -1.982 0 N-CA-C 113.727 1.01 . . . . 1.65 113.727 -173.23 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.667 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 30.6 t -88.09 113.07 23.36 Favored 'General case' 0 N--CA 1.401 -2.895 0 N-CA-C 105.054 -2.202 . . . . 1.66 105.054 168.445 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.657 ' HA ' HD11 ' A' ' 36' ' ' LEU . 58.3 m-85 -29.55 -92.22 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 115.396 1.628 . . . . 0.61 115.396 178.029 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.39 45.97 0.91 Allowed 'General case' 0 C--N 1.281 -2.408 0 N-CA-C 114.409 1.263 . . . . 1.08 114.409 178.456 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -147.53 -57.72 0.25 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.119 -0.491 . . . . 0.73 111.029 177.147 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -91.49 -45.03 8.75 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.296 -0.631 . . . . 1.46 109.296 -177.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.657 HD11 ' HA ' ' A' ' 32' ' ' PHE . 90.4 mt -70.2 -49.53 49.33 Favored 'General case' 0 CA--C 1.509 -0.597 0 N-CA-C 106.88 -1.526 . . . . 1.12 106.88 174.445 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.4 t70 69.05 80.68 0.19 Allowed 'General case' 0 CA--C 1.505 -0.776 0 CA-C-N 113.86 -1.518 . . . . 1.14 111.199 172.311 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.646 HG12 ' HB1' ' A' ' 19' ' ' ALA . 3.9 p -117.61 -102.53 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.414 -2.235 0 C-N-CA 119.525 -0.87 . . . . 2.39 112.967 178.796 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.576 ' H ' HG13 ' A' ' 38' ' ' VAL . 15.0 t70 -141.32 169.51 17.48 Favored 'General case' 0 C--N 1.293 -1.886 0 N-CA-C 106.701 -1.592 . . . . 0.79 106.701 -175.325 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.444 ' O ' HG21 ' A' ' 44' ' ' VAL . 34.4 p -111.05 -42.23 4.02 Favored 'General case' 0 C--N 1.27 -2.889 0 O-C-N 123.712 0.633 . . . . 1.37 110.55 -170.424 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 90.2 mt -66.59 -30.84 71.22 Favored 'General case' 0 C--N 1.315 -0.916 0 N-CA-C 108.012 -1.107 . . . . 1.58 108.012 174.172 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.565 ' HB2' ' HB3' ' A' ' 39' ' ' ASP . 20.3 m -75.9 -30.38 58.78 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-N 115.139 -0.937 . . . . 1.26 109.315 175.352 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.506 ' O ' HG23 ' A' ' 47' ' ' VAL . 32.2 tpp -64.54 -37.3 87.07 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.734 -0.666 . . . . 1.22 110.118 -179.795 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.456 ' O ' ' HB ' ' A' ' 47' ' ' VAL . 43.6 t -64.56 -34.9 72.72 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 CA-C-N 115.939 -0.573 . . . . 1.25 110.329 179.269 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.604 ' HB2' HG21 ' A' ' 18' ' ' ILE . 25.4 mm-40 -69.21 -35.62 76.41 Favored 'General case' 0 N--CA 1.443 -0.821 0 N-CA-C 109.12 -0.696 . . . . 2.08 109.12 179.028 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 90.4 t -60.44 -46.67 94.89 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.501 0 N-CA-C 108.672 -0.862 . . . . 1.21 108.672 175.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.559 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 85.7 t -52.24 -64.02 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 O-C-N 123.914 0.759 . . . . 1.1 109.424 175.136 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 85.4 t -49.23 -45.8 18.09 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.249 0 C-N-CA 123.688 0.795 . . . . 1.36 112.031 179.124 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.1 -33.32 71.72 Favored 'General case' 0 C--N 1.321 -0.658 0 O-C-N 122.04 -0.412 . . . . 1.13 111.97 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.5 -38.35 89.46 Favored 'General case' 0 CA--C 1.506 -0.734 0 N-CA-C 109.078 -0.712 . . . . 1.14 109.078 176.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.559 ' HG3' ' O ' ' A' ' 47' ' ' VAL . 35.3 mt-10 -58.1 -41.9 84.54 Favored 'General case' 0 C--O 1.213 -0.851 0 CA-C-N 115.163 -0.926 . . . . 1.36 110.15 175.525 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -69.75 -42.37 73.99 Favored 'General case' 0 C--N 1.312 -1.042 0 C-N-CA 123.837 0.855 . . . . 2.09 111.455 177.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.456 ' HB2' HD12 ' A' ' 14' ' ' ILE . 2.3 tpm_? -66.25 -36.63 83.51 Favored 'General case' 0 C--N 1.311 -1.065 0 C-N-CA 124.512 1.125 . . . . 3.27 110.584 -172.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.497 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 43.5 m-85 -112.38 -8.51 13.9 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 113.22 0.822 . . . . 1.11 113.22 -174.62 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 66.39 8.0 5.38 Favored 'General case' 0 N--CA 1.504 2.262 0 C-N-CA 124.252 1.021 . . . . 2.02 111.552 -177.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.48 HG13 ' HB2' ' A' ' 54' ' ' PHE . 5.7 p -68.19 -45.84 82.28 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.39 0 C-N-CA 124.484 1.114 . . . . 1.87 113.584 -173.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.5 mmmp? 68.16 112.12 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.813 0 CA-C-O 122.119 0.961 . . . . 2.26 110.961 -171.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.589 HD13 HG12 ' A' ' 76' ' ' ILE . 40.6 mt -136.01 93.89 14.92 Favored Pre-proline 0 C--N 1.288 -2.078 0 N-CA-C 105.27 -2.122 . . . . 1.23 105.27 -177.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_endo -60.41 136.08 65.5 Favored 'Trans proline' 0 N--CA 1.452 -0.916 0 C-N-CA 122.012 1.808 . . . . 0.76 111.962 -175.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.545 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 25.8 t70 -40.89 -31.64 0.18 Allowed 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 124.803 1.241 . . . . 2.0 113.279 175.664 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -60.52 -56.79 17.16 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.783 0.801 . . . . 2.09 110.194 177.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -86.43 -20.63 27.89 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.14 -0.936 . . . . 1.58 111.54 -171.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.512 HG11 ' O ' ' A' ' 60' ' ' ASP . 3.8 p -63.81 -22.66 31.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.935 -0.575 . . . . 1.39 110.717 179.489 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.545 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 64.5 mttm -62.89 -19.7 64.43 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.845 -0.616 . . . . 2.97 112.12 -177.177 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 -82.38 -17.65 44.78 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.115 -0.493 . . . . 2.62 111.504 -178.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.658 HD12 ' HA ' ' A' ' 72' ' ' ALA . 69.1 mt -65.14 -66.38 0.55 Allowed 'General case' 0 N--CA 1.467 0.38 0 O-C-N 123.365 0.416 . . . . 1.67 111.758 -175.031 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt 73.3 -48.59 0.68 Allowed 'General case' 0 N--CA 1.491 1.59 0 C-N-CA 124.817 1.247 . . . . 3.58 112.889 178.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.667 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 35.0 p -107.46 162.2 14.15 Favored 'General case' 0 C--N 1.294 -1.806 0 CA-C-O 121.31 0.576 . . . . 1.09 112.155 -177.122 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.628 HG23 ' HA ' ' A' ' 28' ' ' LEU . 6.5 m -64.83 -37.6 80.6 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.284 0 CA-C-N 114.597 -1.183 . . . . 1.15 109.597 172.627 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.441 ' CA ' ' HG ' ' A' ' 28' ' ' LEU . . . -64.32 -46.62 90.18 Favored Glycine 0 N--CA 1.435 -1.371 0 CA-C-N 115.411 -0.813 . . . . 0.36 112.464 178.387 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.458 ' OD1' ' HA ' ' A' ' 66' ' ' LEU . 10.5 t70 -68.54 -35.59 77.65 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.646 -0.501 . . . . 1.79 109.646 -179.516 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.658 ' HA ' HD12 ' A' ' 66' ' ' LEU . . . -57.74 -59.33 5.37 Favored 'General case' 0 C--O 1.218 -0.561 0 N-CA-C 109.061 -0.718 . . . . 1.08 109.061 174.728 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.463 ' HA ' HG21 ' A' ' 7' ' ' ILE . 63.3 m -48.25 -46.58 35.77 Favored 'General case' 0 C--O 1.199 -1.584 0 C-N-CA 123.962 0.905 . . . . 1.15 112.249 172.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -61.15 -29.49 69.82 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-O 121.21 0.529 . . . . 3.35 111.849 178.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -77.22 -51.04 11.61 Favored 'General case' 0 C--N 1.31 -1.134 0 N-CA-C 107.115 -1.439 . . . . 1.19 107.115 177.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.589 HG12 HD13 ' A' ' 58' ' ' ILE . 72.4 mt -60.31 -51.27 74.96 Favored 'Isoleucine or valine' 0 C--O 1.187 -2.203 0 C-N-CA 124.54 1.136 . . . . 1.07 111.236 -178.455 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.55 ' HA ' HE21 ' A' ' 80' ' ' GLN . 31.0 tp -54.9 -35.74 64.44 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.015 0.526 . . . . 1.76 111.599 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -88.54 -28.25 20.89 Favored 'General case' 0 C--N 1.298 -1.669 0 CA-C-O 122.007 0.908 . . . . 0.67 111.385 -177.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 33.6 m-70 -99.18 5.75 46.66 Favored 'General case' 0 C--N 1.304 -1.403 0 CA-C-N 115.018 -0.992 . . . . 1.87 112.916 -177.435 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.55 HE21 ' HA ' ' A' ' 77' ' ' LEU . 78.5 mm-40 -39.06 139.41 0.48 Allowed 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 124.916 1.286 . . . . 1.31 113.311 178.257 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.431 -1.419 0 CA-C-N 115.29 -0.868 . . . . 2.36 109.182 178.139 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.573 ' O ' HG13 ' A' ' 7' ' ' ILE . 35.8 p . . . . . 0 N--CA 1.43 -1.426 0 N-CA-C 109.466 -0.568 . . . . 1.6 109.466 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.509 ' HA ' HD12 ' A' ' 7' ' ' ILE . 23.7 mt-30 -60.62 -26.19 66.83 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 112.848 0.684 . . . . 1.66 112.848 -174.593 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -67.72 -38.9 84.23 Favored 'General case' 0 C--N 1.307 -1.263 0 N-CA-C 109.407 -0.59 . . . . 2.3 109.407 176.165 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -71.52 -34.04 69.72 Favored 'General case' 0 N--CA 1.435 -1.209 0 N-CA-C 108.383 -0.969 . . . . 1.92 108.383 -178.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.661 HG21 ' HA ' ' A' ' 73' ' ' THR . 36.9 mt -63.46 -55.97 19.82 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.992 0 CA-C-N 114.899 -1.046 . . . . 1.08 108.926 177.072 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 70.5 t -55.53 -38.15 48.39 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.9 0 CA-C-N 116.296 -0.411 . . . . 1.1 110.93 176.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.34 -42.96 98.97 Favored 'General case' 0 C--O 1.242 0.692 0 CA-C-O 121.064 0.459 . . . . 1.08 110.037 177.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.4 -37.11 94.31 Favored Glycine 0 C--O 1.217 -0.909 0 CA-C-N 115.463 -0.79 . . . . 0.31 111.347 176.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.476 ' O ' HG23 ' A' ' 15' ' ' VAL . 70.5 mt -64.48 -49.82 69.9 Favored 'General case' 0 N--CA 1.434 -1.256 0 N-CA-C 109.985 -0.376 . . . . 1.02 109.985 175.676 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.13 -43.29 70.38 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 123.677 0.791 . . . . 1.08 111.952 -179.275 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -64.52 -43.21 94.76 Favored 'General case' 0 C--O 1.239 0.509 0 N-CA-C 112.779 0.659 . . . . 1.46 112.779 179.051 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.528 HD13 ' HG2' ' A' ' 53' ' ' ARG . 96.4 mt -65.31 -46.93 89.05 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.194 0 CA-C-O 121.399 0.619 . . . . 1.16 110.392 179.066 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.632 HG13 ' HB ' ' A' ' 21' ' ' ILE . 98.9 t -58.74 -36.73 62.0 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 CA-C-N 115.436 -0.802 . . . . 1.1 110.919 -179.75 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -66.08 -34.27 77.7 Favored 'General case' 0 C--N 1.305 -1.334 0 C-N-CA 120.258 -0.577 . . . . 0.64 111.275 179.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -77.37 -50.32 13.02 Favored 'General case' 0 C--N 1.307 -1.241 0 CA-C-N 116.142 -0.481 . . . . 2.0 111.286 -179.098 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.513 HG23 ' HB2' ' A' ' 45' ' ' GLU . 80.6 mt -86.39 -53.5 10.19 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 N-CA-C 112.556 0.576 . . . . 1.1 112.556 -174.365 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.517 ' HB1' HG11 ' A' ' 38' ' ' VAL . . . -76.87 -32.27 57.38 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.239 0.542 . . . . 0.93 110.136 -177.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.22 31.06 29.23 Favored Glycine 0 CA--C 1.494 -1.221 0 N-CA-C 110.485 -1.046 . . . . 0.46 110.485 -178.35 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.632 ' HB ' HG13 ' A' ' 15' ' ' VAL . 46.9 mm -108.13 128.91 24.85 Favored Pre-proline 0 C--N 1.305 -1.359 0 CA-C-N 115.556 -0.322 . . . . 1.2 110.5 -176.079 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' A' ' 21' ' ' ILE . 16.3 Cg_exo -31.97 127.24 0.09 OUTLIER 'Trans proline' 0 N--CA 1.451 -1.029 1 C-N-CA 125.495 4.13 . . . . 0.47 114.035 172.201 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 84.1 t -57.74 -26.06 26.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 114.616 -1.175 . . . . 1.4 109.603 178.219 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -95.59 -8.92 33.63 Favored 'General case' 0 N--CA 1.426 -1.669 0 CA-C-N 115.454 -0.794 . . . . 2.34 112.421 -176.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.443 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 33.6 t70 -85.02 -26.58 26.96 Favored 'General case' 0 CA--C 1.504 -0.797 0 N-CA-C 106.981 -1.488 . . . . 0.69 106.981 177.045 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.523 HG13 HG12 ' A' ' 69' ' ' VAL . 73.5 t -73.4 84.79 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.716 0 CA-C-N 113.972 -1.467 . . . . 1.17 109.508 175.078 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.589 ' O ' HG22 ' A' ' 69' ' ' VAL . 87.4 mttt -95.01 -146.1 0.27 Allowed 'General case' 0 C--N 1.299 -1.629 0 CA-C-N 113.882 -1.508 . . . . 2.23 107.273 177.824 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.444 HD22 ' O ' ' A' ' 28' ' ' LEU . 6.0 tt -113.38 -18.46 12.02 Favored 'General case' 0 C--N 1.309 -1.183 0 CA-C-N 119.512 1.051 . . . . 1.7 111.772 -176.548 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -86.98 -7.08 58.5 Favored 'General case' 0 C--N 1.303 -1.455 0 CA-C-O 122.893 1.33 . . . . 2.11 109.474 178.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.651 ' O ' HG21 ' A' ' 69' ' ' VAL . 32.9 mmtm -76.45 100.09 5.11 Favored 'General case' 0 C--N 1.295 -1.799 0 CA-C-N 113.424 -1.716 . . . . 1.65 114.435 -172.261 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.636 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 8.0 m -73.6 110.42 7.87 Favored 'General case' 0 N--CA 1.399 -2.983 0 N-CA-C 106.808 -1.552 . . . . 1.66 106.808 170.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.835 ' HA ' HD11 ' A' ' 36' ' ' LEU . 95.1 m-85 -31.38 -80.9 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.674 1.19 . . . . 0.61 113.9 177.058 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.463 HG23 ' HB ' ' A' ' 38' ' ' VAL . 0.2 OUTLIER -79.76 48.34 0.93 Allowed 'General case' 0 C--N 1.297 -1.698 0 N-CA-C 114.353 1.242 . . . . 1.08 114.353 -179.824 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.636 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 23.9 t70 -158.57 -61.72 0.08 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.803 -0.635 . . . . 0.73 110.981 178.714 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.436 ' HB3' ' HD3' ' A' ' 30' ' ' LYS . 1.8 t70 -94.74 -34.34 12.57 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 116.121 -0.491 . . . . 1.46 110.052 -175.235 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.835 HD11 ' HA ' ' A' ' 32' ' ' PHE . 91.6 mt -79.91 -42.59 23.79 Favored 'General case' 0 C--O 1.243 0.753 0 CA-C-N 116.132 -0.486 . . . . 1.12 110.398 178.086 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.1 t70 74.45 85.28 0.1 Allowed 'General case' 0 CA--C 1.505 -0.781 0 O-C-N 124.623 1.202 . . . . 1.14 110.303 -175.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.517 HG11 ' HB1' ' A' ' 19' ' ' ALA . 86.7 t -94.11 -93.6 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.299 -1.594 0 CA-C-N 114.171 -1.377 . . . . 2.39 108.53 -179.577 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.3 t70 170.93 176.04 0.06 Allowed 'General case' 0 CA--C 1.494 -1.197 0 N-CA-C 103.534 -2.765 . . . . 0.79 103.534 -178.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.7 t -92.46 -37.12 12.71 Favored 'General case' 0 C--N 1.266 -3.061 0 N-CA-C 109.155 -0.683 . . . . 1.37 109.155 -175.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 91.2 mt -82.59 -34.79 27.57 Favored 'General case' 0 C--N 1.306 -1.319 0 CA-C-N 115.747 -0.661 . . . . 1.58 109.543 -176.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.434 ' O ' HG23 ' A' ' 46' ' ' VAL . 15.2 m -70.65 -23.48 62.52 Favored 'General case' 0 N--CA 1.436 -1.161 0 CA-C-N 114.978 -1.01 . . . . 1.26 109.608 -179.278 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.631 ' HE2' ' HB3' ' A' ' 32' ' ' PHE . 24.0 tpp -61.31 -48.4 81.51 Favored 'General case' 0 N--CA 1.438 -1.065 0 CA-C-N 115.593 -0.73 . . . . 1.22 110.949 179.393 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 57.7 t -67.86 -24.71 31.0 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.519 0 CA-C-N 115.449 -0.796 . . . . 1.25 110.762 -177.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.513 ' HB2' HG23 ' A' ' 18' ' ' ILE . 37.0 mt-10 -73.26 -36.63 66.4 Favored 'General case' 0 N--CA 1.431 -1.422 0 N-CA-C 108.575 -0.898 . . . . 2.08 108.575 178.763 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 42' ' ' SER . 85.4 t -61.32 -47.34 93.94 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.588 0 N-CA-C 108.5 -0.926 . . . . 1.21 108.5 174.512 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.575 HG12 HG21 ' A' ' 63' ' ' VAL . 97.9 t -52.85 -64.8 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 O-C-N 124.01 0.819 . . . . 1.1 109.886 177.767 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 85.2 t -45.83 -52.74 2.6 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 C-N-CA 123.489 0.716 . . . . 1.36 112.286 175.389 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.02 -33.46 76.1 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 112.347 0.499 . . . . 1.13 112.347 -177.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.21 -36.7 84.93 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.903 0.383 . . . . 1.14 110.415 179.219 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.588 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 32.6 mt-10 -61.94 -31.56 71.9 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-O 121.901 0.858 . . . . 1.36 110.272 179.715 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -82.59 -47.47 12.07 Favored 'General case' 0 C--N 1.302 -1.488 0 CA-C-N 114.736 -1.12 . . . . 2.09 109.913 -179.359 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.528 ' HG2' HD13 ' A' ' 14' ' ' ILE . 52.4 tpt85 -71.56 -34.3 69.86 Favored 'General case' 0 C--N 1.317 -0.816 0 C-N-CA 123.796 0.839 . . . . 3.27 112.328 -173.599 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.462 ' CD2' HG21 ' A' ' 76' ' ' ILE . 88.9 m-85 -100.31 -2.06 34.59 Favored 'General case' 0 C--N 1.298 -1.656 0 CA-C-N 115.975 -0.557 . . . . 1.11 111.428 -177.385 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 36.4 t70 69.51 -5.61 1.13 Allowed 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 123.971 0.908 . . . . 2.02 112.803 178.177 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.588 ' O ' ' HA ' ' A' ' 51' ' ' GLU . 8.1 p -106.61 126.31 62.43 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.88 0 O-C-N 121.885 -0.509 . . . . 1.87 110.699 -177.821 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.483 ' HB3' ' HZ3' ' A' ' 57' ' ' LYS . 4.0 mmmp? -70.18 123.39 21.5 Favored 'General case' 0 C--N 1.307 -1.246 0 CA-C-N 115.61 -0.723 . . . . 2.26 110.086 178.067 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.713 HG22 HG22 ' A' ' 63' ' ' VAL . 47.3 mt -132.42 103.44 13.71 Favored Pre-proline 0 C--N 1.304 -1.382 0 N-CA-C 107.131 -1.433 . . . . 1.23 107.131 -178.414 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -81.73 156.12 18.29 Favored 'Trans proline' 0 N--CA 1.433 -2.066 0 C-N-CA 121.219 1.279 . . . . 0.76 112.133 -177.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.635 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 3.5 m-20 -35.59 -48.26 0.51 Allowed 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 125.075 1.35 . . . . 2.0 111.587 174.043 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -49.42 -53.84 20.6 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.927 0.891 . . . . 2.09 113.146 -178.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.423 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 21.1 m-20 -75.3 -33.48 61.2 Favored 'General case' 0 CA--C 1.49 -1.356 0 CA-C-O 120.98 0.419 . . . . 1.58 110.432 -178.049 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.713 HG22 HG22 ' A' ' 58' ' ' ILE . 2.2 t -55.47 -32.3 29.65 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.214 0 CA-C-N 115.204 -0.907 . . . . 1.39 111.272 176.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.635 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 95.5 mttt -68.38 -19.99 64.66 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.497 -0.774 . . . . 2.97 112.291 179.6 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 45.1 m-20 -94.45 -6.08 44.79 Favored 'General case' 0 C--N 1.309 -1.187 0 N-CA-C 109.01 -0.737 . . . . 2.62 109.01 -178.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.842 HD12 ' HA ' ' A' ' 72' ' ' ALA . 58.7 mt -92.19 -66.09 0.95 Allowed 'General case' 0 N--CA 1.43 -1.446 0 CA-C-N 115.565 -0.743 . . . . 1.67 109.721 -177.355 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . 0.437 0.0 OUTLIER 54.76 -6.34 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 117.874 2.546 . . . . 3.58 117.874 -179.735 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.58 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 61.5 p -128.82 170.69 13.06 Favored 'General case' 0 CA--C 1.493 -1.243 0 O-C-N 121.405 -0.81 . . . . 1.09 109.776 173.351 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.651 HG21 ' O ' ' A' ' 30' ' ' LYS . 2.2 m -65.45 -47.55 86.33 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.738 0 CA-C-N 114.498 -1.228 . . . . 1.15 110.349 172.115 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.41 ' H ' HG23 ' A' ' 69' ' ' VAL . . . -62.19 -42.97 99.73 Favored Glycine 0 CA--C 1.498 -0.986 0 CA-C-N 116.198 -0.455 . . . . 0.36 112.368 -179.109 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.405 ' HB3' ' HA ' ' A' ' 66' ' ' LEU . 5.7 m-20 -68.32 -39.11 82.08 Favored 'General case' 0 CA--C 1.5 -0.952 0 CA-C-O 119.673 -0.204 . . . . 1.79 111.208 178.42 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.842 ' HA ' HD12 ' A' ' 66' ' ' LEU . . . -56.93 -55.13 38.54 Favored 'General case' 0 CA--C 1.51 -0.566 0 N-CA-C 108.354 -0.98 . . . . 1.08 108.354 175.726 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.661 ' HA ' HG21 ' A' ' 7' ' ' ILE . 91.4 m -48.32 -48.55 36.01 Favored 'General case' 0 N--CA 1.434 -1.23 0 C-N-CA 124.766 1.226 . . . . 1.15 112.536 173.266 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -61.45 -30.3 70.5 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 120.758 0.313 . . . . 3.35 111.64 -179.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.471 ' HB2' HD23 ' A' ' 66' ' ' LEU . 57.8 t80 -76.7 -44.71 32.42 Favored 'General case' 0 CA--C 1.492 -1.26 0 N-CA-C 107.52 -1.289 . . . . 1.19 107.52 177.085 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.556 HG12 HD13 ' A' ' 58' ' ' ILE . 84.7 mt -61.72 -49.92 82.35 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.717 0 CA-C-N 115.299 -0.864 . . . . 1.07 110.46 -178.727 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -55.93 -41.06 74.02 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-O 121.133 0.492 . . . . 1.76 110.998 179.106 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -81.09 -39.26 25.95 Favored 'General case' 0 C--N 1.299 -1.611 0 CA-C-N 115.586 -0.734 . . . . 0.67 112.715 -175.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -101.36 -3.45 28.77 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 115.011 1.486 . . . . 1.87 115.011 -172.389 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.404 ' NE2' HG23 ' A' ' 76' ' ' ILE . 11.2 pt20 -80.9 -177.27 6.31 Favored 'General case' 0 CA--C 1.51 -0.578 0 C-N-CA 118.873 -1.131 . . . . 1.31 111.958 -174.824 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.406 -2.667 0 N-CA-C 107.681 -1.229 . . . . 2.36 107.681 177.889 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.475 ' O ' HG13 ' A' ' 7' ' ' ILE . 0.3 OUTLIER . . . . . 0 N--CA 1.413 -2.314 0 N-CA-C 106.667 -1.605 . . . . 1.6 106.667 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -49.75 -37.65 30.56 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.212 0.605 . . . . 1.66 111.811 -175.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -63.14 -36.49 83.78 Favored 'General case' 0 C--N 1.305 -1.363 0 C-N-CA 124.091 0.956 . . . . 2.3 109.871 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -73.12 -32.4 64.92 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.261 -0.644 . . . . 1.92 109.261 178.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.527 HG23 ' HA ' ' A' ' 73' ' ' THR . 20.5 mt -68.23 -52.72 35.0 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.251 0 N-CA-C 107.675 -1.232 . . . . 1.08 107.675 178.447 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 74.1 t -55.93 -44.5 78.24 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.178 0 CA-C-N 115.679 -0.691 . . . . 1.1 110.382 175.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.84 -34.85 78.85 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.145 0.498 . . . . 1.08 110.81 177.368 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.32 -44.38 90.77 Favored Glycine 0 C--O 1.211 -1.292 0 N-CA-C 110.151 -1.179 . . . . 0.31 110.151 177.048 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 95.7 mt -59.96 -45.26 93.25 Favored 'General case' 0 C--N 1.312 -1.058 0 N-CA-C 109.235 -0.654 . . . . 1.02 109.235 175.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.455 ' HB2' ' HA ' ' A' ' 23' ' ' VAL . . . -55.51 -45.39 77.09 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-N 115.356 -0.838 . . . . 1.08 111.922 178.775 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -69.61 -32.12 70.66 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.728 0.64 . . . . 1.46 112.728 -179.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.4 mt -67.57 -54.04 26.69 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.232 0 N-CA-C 108.388 -0.967 . . . . 1.16 108.388 175.253 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.629 HG11 ' HB ' ' A' ' 21' ' ' ILE . 71.5 t -58.72 -41.57 82.82 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.237 0 CA-C-N 114.909 -1.041 . . . . 1.1 111.225 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -63.96 -33.17 75.12 Favored 'General case' 0 C--N 1.301 -1.53 0 CA-C-O 120.957 0.408 . . . . 0.64 111.649 179.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -77.89 -50.73 11.66 Favored 'General case' 0 C--N 1.304 -1.382 0 CA-C-N 115.606 -0.725 . . . . 2.0 110.852 -179.16 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.65 HG21 ' HB2' ' A' ' 45' ' ' GLU . 61.4 mt -88.91 -53.76 8.94 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.053 0 N-CA-C 112.513 0.56 . . . . 1.1 112.513 -173.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.77 ' HB1' HG11 ' A' ' 38' ' ' VAL . . . -74.05 -37.51 64.26 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 121.541 0.686 . . . . 0.93 109.737 -178.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.39 25.37 28.52 Favored Glycine 0 N--CA 1.447 -0.583 0 CA-C-N 114.966 -1.015 . . . . 0.46 110.828 -178.121 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.629 ' HB ' HG11 ' A' ' 15' ' ' VAL . 49.8 mm -99.93 130.93 25.29 Favored Pre-proline 0 C--N 1.311 -1.076 0 O-C-N 122.785 -0.244 . . . . 1.2 110.73 -176.517 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.501 ' HD2' ' HA ' ' A' ' 21' ' ' ILE . 7.5 Cg_exo -32.96 125.95 0.11 Allowed 'Trans proline' 0 C--N 1.358 1.052 1 C-N-CA 125.817 4.345 . . . . 0.47 114.627 173.692 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.455 ' HA ' ' HB2' ' A' ' 12' ' ' ALA . 85.9 t -57.82 -29.58 35.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 114.182 -1.372 . . . . 1.4 109.739 178.621 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -104.15 11.14 35.44 Favored 'General case' 0 N--CA 1.42 -1.93 0 N-CA-C 112.916 0.71 . . . . 2.34 112.916 -176.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.415 ' O ' ' HE3' ' A' ' 30' ' ' LYS . 16.0 t70 -97.44 -26.38 14.87 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 105.441 -2.059 . . . . 0.69 105.441 170.042 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.548 HG13 HG12 ' A' ' 69' ' ' VAL . 58.4 t -74.03 87.1 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.962 0 CA-C-N 113.948 -1.478 . . . . 1.17 109.333 175.814 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.49 ' O ' HG23 ' A' ' 69' ' ' VAL . 94.4 mttt -98.25 -142.29 0.31 Allowed 'General case' 0 C--N 1.293 -1.871 0 CA-C-N 113.483 -1.689 . . . . 2.23 108.091 178.241 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.1 tt -116.16 -20.63 9.76 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-N 119.407 1.003 . . . . 1.7 111.504 -176.568 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -84.39 -11.99 55.27 Favored 'General case' 0 C--N 1.302 -1.471 0 CA-C-O 122.344 1.068 . . . . 2.11 109.531 -179.228 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.703 ' O ' HG22 ' A' ' 69' ' ' VAL . 55.8 mmtt -73.71 120.04 18.76 Favored 'General case' 0 C--N 1.293 -1.885 0 CA-C-N 114.23 -1.35 . . . . 1.65 114.609 -170.349 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.7 m -79.96 109.48 14.44 Favored 'General case' 0 N--CA 1.399 -3.015 0 N-CA-C 107.493 -1.299 . . . . 1.66 107.493 170.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.836 ' HA ' HD13 ' A' ' 36' ' ' LEU . 45.5 m-85 -31.49 -89.27 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.701 0 C-N-CA 124.627 1.171 . . . . 0.61 114.085 175.217 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.551 HG21 ' HB ' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -75.91 58.73 1.18 Allowed 'General case' 0 C--N 1.29 -1.995 0 N-CA-C 113.171 0.804 . . . . 1.08 113.171 177.845 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -167.76 -64.61 0.03 OUTLIER 'General case' 0 C--O 1.217 -0.641 0 CA-C-N 116.037 -0.529 . . . . 0.73 111.447 177.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -88.77 -45.24 9.94 Favored 'General case' 0 CA--C 1.501 -0.911 0 N-CA-C 109.022 -0.733 . . . . 1.46 109.022 -176.133 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.836 HD13 ' HA ' ' A' ' 32' ' ' PHE . 94.1 mt -69.53 -47.79 62.61 Favored 'General case' 0 CA--C 1.504 -0.796 0 N-CA-C 107.483 -1.303 . . . . 1.12 107.483 175.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 38.8 t70 72.41 91.11 0.09 Allowed 'General case' 0 CA--C 1.506 -0.746 0 CA-C-N 113.666 -1.606 . . . . 1.14 110.655 178.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.77 HG11 ' HB1' ' A' ' 19' ' ' ALA . 95.9 t -93.87 -90.63 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.291 -1.964 0 CA-C-N 113.126 -1.852 . . . . 2.39 108.552 -174.222 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.5 t70 171.07 172.08 0.08 Allowed 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 104.394 -2.447 . . . . 0.79 104.394 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.49 -43.12 17.59 Favored 'General case' 0 C--N 1.258 -3.375 0 N-CA-C 108.258 -1.016 . . . . 1.37 108.258 -173.713 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 93.4 mt -86.8 -35.3 19.2 Favored 'General case' 0 C--N 1.301 -1.512 0 CA-C-N 114.029 -1.442 . . . . 1.58 110.368 -175.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.552 ' OG ' HG23 ' A' ' 18' ' ' ILE . 23.0 t -61.86 -31.23 71.48 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.662 -1.154 . . . . 1.26 108.66 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.612 ' HE1' ' HB3' ' A' ' 32' ' ' PHE . 30.2 tpp -60.65 -39.74 89.46 Favored 'General case' 0 N--CA 1.436 -1.144 0 CA-C-N 114.768 -1.106 . . . . 1.22 111.749 178.821 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 38.7 t -70.96 -29.44 37.22 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-O 121.263 0.554 . . . . 1.25 109.754 -175.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.65 ' HB2' HG21 ' A' ' 18' ' ' ILE . 5.7 mm-40 -72.22 -40.74 67.55 Favored 'General case' 0 N--CA 1.427 -1.592 0 N-CA-C 107.704 -1.221 . . . . 2.08 107.704 178.1 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.447 HG21 ' O ' ' A' ' 42' ' ' SER . 92.4 t -56.37 -50.11 73.62 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-N 115.594 -0.73 . . . . 1.21 109.413 175.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.49 HG21 ' O ' ' A' ' 43' ' ' MET . 94.5 t -50.28 -63.53 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 O-C-N 123.911 0.757 . . . . 1.1 109.756 176.337 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 97.1 t -51.97 -47.11 42.24 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.403 0 CA-C-N 115.899 -0.591 . . . . 1.36 112.54 178.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.36 -25.83 66.17 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.44 0.533 . . . . 1.13 112.44 -178.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.83 -35.14 79.38 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.093 0.473 . . . . 1.14 110.014 178.207 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.587 ' HG2' ' H ' ' A' ' 58' ' ' ILE . 31.3 mt-10 -65.77 -24.66 66.99 Favored 'General case' 0 C--O 1.213 -0.844 0 C-N-CA 123.664 0.786 . . . . 1.36 109.515 178.16 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -83.54 -48.67 10.02 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-O 121.321 0.582 . . . . 2.09 109.501 175.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.3 tpm_? -68.09 -34.12 75.81 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 123.763 0.825 . . . . 3.27 111.519 -172.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.465 ' CD2' HD12 ' A' ' 76' ' ' ILE . 38.8 m-85 -114.07 -3.52 13.28 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-N 115.912 -0.585 . . . . 1.11 112.006 -176.126 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.0 t70 72.3 -23.24 0.2 Allowed 'General case' 0 N--CA 1.506 2.338 0 C-N-CA 125.698 1.599 . . . . 2.02 112.269 -179.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.488 ' O ' ' HA ' ' A' ' 51' ' ' GLU . 4.8 p -75.66 122.23 29.12 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.114 0 CA-C-O 121.241 0.543 . . . . 1.87 110.32 -175.476 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.5 tptm -72.34 113.24 9.16 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 107.772 -1.196 . . . . 2.26 107.772 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.587 ' H ' ' HG2' ' A' ' 51' ' ' GLU . 37.9 mt -116.86 99.48 52.92 Favored Pre-proline 0 C--N 1.298 -1.671 0 N-CA-C 106.359 -1.719 . . . . 1.23 106.359 -178.2 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -69.5 133.86 27.09 Favored 'Trans proline' 0 N--CA 1.446 -1.298 0 C-N-CA 122.087 1.858 . . . . 0.76 113.555 -173.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -37.53 -33.25 0.07 Allowed 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 125.771 1.628 . . . . 2.0 113.956 172.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.473 ' HA ' ' HE2' ' A' ' 64' ' ' LYS . 27.3 t70 -75.12 -46.3 35.42 Favored 'General case' 0 C--N 1.296 -1.741 0 N-CA-C 112.109 0.411 . . . . 2.09 112.109 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -86.64 -21.79 26.53 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-O 121.716 0.77 . . . . 1.58 110.916 -174.19 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 6.0 p -65.01 -21.49 29.58 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.871 0 CA-C-N 115.392 -0.822 . . . . 1.39 110.679 178.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.473 ' HE2' ' HA ' ' A' ' 61' ' ' ASP . 57.6 mttm -63.14 -9.97 13.01 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 115.503 -0.772 . . . . 2.97 112.916 -176.313 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -94.77 -4.09 47.92 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 120.571 0.224 . . . . 2.62 111.474 -179.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.817 HD13 ' HA ' ' A' ' 72' ' ' ALA . 72.8 mt -84.54 -69.96 0.61 Allowed 'General case' 0 C--O 1.217 -0.64 0 N-CA-C 112.07 0.396 . . . . 1.67 112.07 -175.554 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . 0.412 0.0 OUTLIER 62.41 -29.65 0.08 Allowed 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 117.0 2.222 . . . . 3.58 117.0 177.279 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 65.9 p -110.2 166.17 11.17 Favored 'General case' 0 CA--C 1.485 -1.541 0 O-C-N 121.514 -0.741 . . . . 1.09 109.823 174.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.703 HG22 ' O ' ' A' ' 30' ' ' LYS . 4.0 m -68.2 -39.59 81.43 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.015 0 CA-C-N 114.708 -1.133 . . . . 1.15 109.799 173.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -62.41 -47.97 85.63 Favored Glycine 0 N--CA 1.438 -1.174 0 CA-C-N 116.031 -0.531 . . . . 0.36 112.101 177.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -65.7 -39.63 91.43 Favored 'General case' 0 CA--C 1.5 -0.947 0 CA-C-N 116.714 0.257 . . . . 1.79 111.359 179.037 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.817 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -56.72 -58.65 7.18 Favored 'General case' 0 CA--C 1.516 -0.336 0 N-CA-C 109.085 -0.709 . . . . 1.08 109.085 176.067 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.527 ' HA ' HG23 ' A' ' 7' ' ' ILE . 87.3 m -48.23 -51.5 25.24 Favored 'General case' 0 C--O 1.189 -2.103 0 C-N-CA 123.953 0.901 . . . . 1.15 111.881 173.21 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.437 ' HE2' ' HB3' ' A' ' 74' ' ' LYS . 3.9 tmmm? -54.24 -35.82 62.88 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 123.862 0.865 . . . . 3.35 111.788 179.302 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.429 ' HB2' HD21 ' A' ' 66' ' ' LEU . 37.3 t80 -71.53 -54.02 11.9 Favored 'General case' 0 C--O 1.199 -1.579 0 N-CA-C 107.789 -1.189 . . . . 1.19 107.789 178.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.492 HG12 HD12 ' A' ' 58' ' ' ILE . 71.0 mt -57.96 -48.94 82.84 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.282 0 C-N-CA 124.566 1.146 . . . . 1.07 110.823 -179.145 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 55.0 tp -51.0 -40.11 57.31 Favored 'General case' 0 C--N 1.307 -1.277 0 C-N-CA 124.388 1.075 . . . . 1.76 111.386 178.232 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -88.23 -41.78 12.71 Favored 'General case' 0 C--N 1.303 -1.438 0 CA-C-O 121.697 0.761 . . . . 0.67 111.508 -177.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 62.7 m-70 -84.36 5.68 26.06 Favored 'General case' 0 C--N 1.296 -1.745 0 CA-C-N 114.526 -1.215 . . . . 1.87 113.75 -173.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 34.2 mm-40 -37.32 126.5 1.03 Allowed 'General case' 0 N--CA 1.491 1.596 0 C-N-CA 123.929 0.892 . . . . 1.31 111.084 174.317 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.299 -1.607 0 N-CA-C 108.048 -1.093 . . . . 2.36 108.048 179.482 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.585 ' O ' HG13 ' A' ' 7' ' ' ILE . 0.3 OUTLIER . . . . . 0 N--CA 1.432 -1.362 0 N-CA-C 107.527 -1.286 . . . . 1.6 107.527 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.476 ' O ' HG22 ' A' ' 8' ' ' VAL . 20.7 mt-30 -54.7 -40.19 68.94 Favored 'General case' 0 C--O 1.214 -0.78 0 N-CA-C 112.962 0.727 . . . . 1.66 112.962 -169.807 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -82.15 -23.43 35.6 Favored 'General case' 0 C--N 1.287 -2.115 0 CA-C-O 121.157 0.504 . . . . 2.3 110.8 -175.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.513 ' HB3' ' O ' ' A' ' 3' ' ' THR . 36.0 tt0 -67.2 -35.72 80.21 Favored 'General case' 0 C--N 1.31 -1.137 0 N-CA-C 107.658 -1.238 . . . . 1.92 107.658 172.801 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.585 HG13 ' O ' ' A' ' 3' ' ' THR . 26.2 mt -68.13 -52.81 34.47 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.077 0 N-CA-C 107.717 -1.216 . . . . 1.08 107.717 174.429 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.785 HG21 HD11 ' A' ' 28' ' ' LEU . 93.1 t -52.51 -41.57 36.83 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.851 0 C-N-CA 123.252 0.621 . . . . 1.1 111.521 177.734 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.36 -36.55 84.08 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.955 0.407 . . . . 1.08 110.224 177.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.84 -41.93 87.4 Favored Glycine 0 C--O 1.206 -1.595 0 N-CA-C 110.404 -1.078 . . . . 0.31 110.404 176.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.515 ' O ' HG23 ' A' ' 15' ' ' VAL . 85.1 mt -62.81 -49.07 76.41 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-O 120.59 0.233 . . . . 1.02 110.433 176.625 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.96 -44.75 67.36 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 124.189 0.996 . . . . 1.08 111.874 -178.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.466 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 16.8 pt-20 -66.57 -38.67 87.56 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 120.393 -0.523 . . . . 1.46 112.16 -179.449 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 90.3 mt -63.91 -47.32 91.14 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.959 0 C-N-CA 123.411 0.684 . . . . 1.16 109.415 176.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.516 HG13 ' HB ' ' A' ' 21' ' ' ILE . 83.9 t -56.88 -36.33 49.62 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.793 0 CA-C-N 115.354 -0.839 . . . . 1.1 110.89 179.401 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -71.54 -29.91 65.29 Favored 'General case' 0 C--N 1.299 -1.617 0 CA-C-O 120.929 0.395 . . . . 0.64 111.37 -178.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.466 ' HG2' ' O ' ' A' ' 13' ' ' GLU . 68.8 mm-40 -76.93 -46.73 23.2 Favored 'General case' 0 N--CA 1.434 -1.257 0 CA-C-N 116.162 -0.472 . . . . 2.0 111.218 179.694 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.528 HG21 ' HB2' ' A' ' 45' ' ' GLU . 72.9 mt -90.84 -53.69 8.57 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.237 0 CA-C-N 115.631 -0.713 . . . . 1.1 112.334 -173.134 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.565 ' HB3' HG11 ' A' ' 38' ' ' VAL . . . -79.27 -39.88 31.91 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.261 0.553 . . . . 0.93 109.717 -178.009 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 92.97 20.43 33.5 Favored Glycine 0 N--CA 1.445 -0.701 0 CA-C-N 115.337 -0.847 . . . . 0.46 111.056 -178.247 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.516 ' HB ' HG13 ' A' ' 15' ' ' VAL . 49.0 mm -96.84 136.13 21.8 Favored Pre-proline 0 C--N 1.31 -1.114 0 N-CA-C 110.134 -0.321 . . . . 1.2 110.134 -176.308 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.487 ' HD2' ' HA ' ' A' ' 21' ' ' ILE . 2.8 Cg_exo -35.68 126.12 0.31 Allowed 'Trans proline' 0 C--N 1.357 1.009 0 C-N-CA 125.25 3.967 . . . . 0.47 114.214 174.022 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 92.4 t -63.02 -19.76 24.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 114.635 -1.166 . . . . 1.4 109.191 178.252 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -96.74 -8.1 32.17 Favored 'General case' 0 N--CA 1.418 -2.027 0 CA-C-N 114.581 -1.191 . . . . 2.34 111.934 -176.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.432 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 9.1 t70 -92.16 -18.12 23.94 Favored 'General case' 0 C--N 1.314 -0.949 0 N-CA-C 108.002 -1.11 . . . . 0.69 108.002 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.568 HG12 HG13 ' A' ' 69' ' ' VAL . 56.1 t -77.48 87.25 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.436 -1.174 0 CA-C-N 114.169 -1.378 . . . . 1.17 109.311 177.208 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -96.24 -136.98 0.24 Allowed 'General case' 0 C--N 1.298 -1.65 0 CA-C-N 113.578 -1.646 . . . . 2.23 107.209 177.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.785 HD11 HG21 ' A' ' 8' ' ' VAL . 7.7 mp -122.41 -13.66 8.0 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 119.144 0.883 . . . . 1.7 113.145 174.281 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -85.88 -12.61 50.24 Favored 'General case' 0 C--N 1.304 -1.377 0 CA-C-O 122.163 0.982 . . . . 2.11 109.678 -178.145 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.672 ' O ' HG21 ' A' ' 69' ' ' VAL . 61.7 mmtt -78.9 125.86 29.94 Favored 'General case' 0 C--N 1.3 -1.57 0 CA-C-N 113.967 -1.47 . . . . 1.65 112.396 -171.049 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.501 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 4.2 m -91.54 109.56 20.86 Favored 'General case' 0 N--CA 1.397 -3.125 0 N-CA-C 106.236 -1.764 . . . . 1.66 106.236 173.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.671 ' HA ' HD11 ' A' ' 36' ' ' LEU . 54.9 m-85 -28.06 -84.16 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 124.768 1.227 . . . . 0.61 114.191 178.692 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.693 HG21 ' HB ' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -81.86 67.14 7.73 Favored 'General case' 0 C--N 1.291 -1.971 0 N-CA-C 114.126 1.158 . . . . 1.08 114.126 177.132 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.487 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 22.1 t70 -175.03 -57.0 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.381 -0.827 . . . . 0.73 109.47 175.459 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -86.05 -41.15 15.05 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.215 -0.902 . . . . 1.46 110.887 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.671 HD11 ' HA ' ' A' ' 32' ' ' PHE . 89.6 mt -84.95 -50.05 7.82 Favored 'General case' 0 C--N 1.315 -0.916 0 N-CA-C 109.377 -0.601 . . . . 1.12 109.377 179.439 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.2 t70 82.08 90.08 0.04 OUTLIER 'General case' 0 CA--C 1.502 -0.866 0 C-N-CA 125.281 1.432 . . . . 1.14 111.318 -178.62 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.693 ' HB ' HG21 ' A' ' 33' ' ' THR . 63.8 t -104.39 -95.39 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.298 -1.639 0 CA-C-N 114.109 -1.405 . . . . 2.39 109.491 -176.086 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.8 t70 173.32 -177.77 0.07 Allowed 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 103.332 -2.84 . . . . 0.79 103.332 -178.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 41.3 t -93.23 -42.53 9.3 Favored 'General case' 0 C--N 1.278 -2.508 0 N-CA-C 108.365 -0.976 . . . . 1.37 108.365 -179.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 57.2 mt -78.44 -33.62 48.36 Favored 'General case' 0 N--CA 1.431 -1.386 0 CA-C-N 114.841 -1.072 . . . . 1.58 109.734 -174.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.473 ' HB2' HG12 ' A' ' 38' ' ' VAL . 15.7 m -72.69 -25.95 61.43 Favored 'General case' 0 N--CA 1.431 -1.401 0 CA-C-N 115.387 -0.824 . . . . 1.26 109.051 177.451 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.616 ' HE1' ' HB3' ' A' ' 32' ' ' PHE . 28.9 tpp -64.41 -48.31 75.87 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 115.746 -0.661 . . . . 1.22 110.596 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.416 ' O ' HG21 ' A' ' 48' ' ' VAL . 22.2 t -69.74 -23.7 26.14 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.182 0 CA-C-N 115.401 -0.818 . . . . 1.25 110.853 -176.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.528 ' HB2' HG21 ' A' ' 18' ' ' ILE . 22.0 mm-40 -69.13 -39.77 78.66 Favored 'General case' 0 N--CA 1.441 -0.918 0 N-CA-C 109.246 -0.65 . . . . 2.08 109.246 175.342 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.426 HG21 ' O ' ' A' ' 42' ' ' SER . 87.7 t -60.64 -44.85 97.81 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.572 0 N-CA-C 108.789 -0.819 . . . . 1.21 108.789 176.789 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.604 HG23 HG22 ' A' ' 63' ' ' VAL . 46.8 t -54.02 -63.53 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 O-C-N 123.932 0.77 . . . . 1.1 109.486 176.81 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.482 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 67.7 t -49.12 -51.68 12.49 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 O-C-N 123.621 0.576 . . . . 1.36 111.991 176.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.79 -33.71 76.29 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 112.332 0.493 . . . . 1.13 112.332 -178.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.41 -36.38 83.55 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-O 120.65 0.262 . . . . 1.14 110.701 178.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.482 ' OE1' ' HA ' ' A' ' 48' ' ' VAL . 40.7 mt-10 -60.31 -47.29 86.66 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 109.421 -0.585 . . . . 1.36 109.421 177.396 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -64.98 -38.38 90.78 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 114.847 -1.069 . . . . 2.09 110.523 179.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 39.2 tpt85 -74.62 -35.66 62.92 Favored 'General case' 0 C--N 1.312 -1.065 0 CA-C-N 115.391 -0.822 . . . . 3.27 111.662 -174.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.529 ' CD2' HD12 ' A' ' 76' ' ' ILE . 32.6 m-85 -107.29 2.41 24.56 Favored 'General case' 0 C--N 1.298 -1.663 0 N-CA-C 112.937 0.717 . . . . 1.11 112.937 -175.446 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.0 t70 66.11 22.24 11.12 Favored 'General case' 0 N--CA 1.482 1.157 0 CA-C-O 122.12 0.962 . . . . 2.02 110.28 178.16 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.477 HG22 ' HB2' ' A' ' 54' ' ' PHE . 31.4 m -108.73 -171.67 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 CA-C-N 115.615 -0.721 . . . . 1.87 111.381 -177.138 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.7 mmmt -132.83 125.95 31.19 Favored 'General case' 0 N--CA 1.437 -1.12 0 N-CA-C 108.239 -1.023 . . . . 2.26 108.239 174.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.551 HD12 HG12 ' A' ' 76' ' ' ILE . 42.1 mt -137.38 99.74 9.6 Favored Pre-proline 0 C--N 1.303 -1.413 0 N-CA-C 107.144 -1.428 . . . . 1.23 107.144 -177.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -72.67 138.11 28.64 Favored 'Trans proline' 0 C--N 1.318 -1.065 0 C-N-CA 121.977 1.785 . . . . 0.76 112.349 -178.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.454 ' HA ' ' CG1' ' A' ' 63' ' ' VAL . 5.6 p-10 -55.55 -18.59 7.73 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.31 1.044 . . . . 2.0 111.934 176.605 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -73.59 -46.24 48.36 Favored 'General case' 0 C--N 1.308 -1.21 0 C-N-CA 123.119 0.568 . . . . 2.09 111.433 176.229 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -86.7 -30.89 21.34 Favored 'General case' 0 CA--C 1.504 -0.801 0 CA-C-O 121.004 0.431 . . . . 1.58 110.995 -174.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.604 HG22 HG23 ' A' ' 47' ' ' VAL . 4.3 p -55.74 -22.18 12.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.025 -0.989 . . . . 1.39 111.862 -177.438 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -60.9 -17.95 53.67 Favored 'General case' 0 N--CA 1.44 -0.971 0 CA-C-N 115.247 -0.888 . . . . 2.97 112.586 -178.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -92.08 -6.74 50.38 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.658 -0.246 . . . . 2.62 111.213 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.829 HD12 ' HA ' ' A' ' 72' ' ' ALA . 67.3 mt -77.38 -70.77 0.45 Allowed 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.715 -0.394 . . . . 1.67 110.547 -176.646 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt 74.99 -47.44 0.62 Allowed 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 124.617 1.167 . . . . 3.58 113.42 175.519 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.501 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 58.3 p -104.68 161.12 14.41 Favored 'General case' 0 N--CA 1.417 -2.108 0 CA-C-O 121.621 0.724 . . . . 1.09 111.971 -177.299 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.697 HG23 ' HA ' ' A' ' 28' ' ' LEU . 4.6 m -66.35 -31.44 53.64 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.989 0 CA-C-N 114.051 -1.431 . . . . 1.15 110.469 175.819 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -75.49 -40.73 31.92 Favored Glycine 0 N--CA 1.435 -1.383 0 CA-C-N 115.678 -0.692 . . . . 0.36 111.651 178.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.445 ' OD1' ' HA ' ' A' ' 66' ' ' LEU . 10.2 t70 -73.54 -34.3 65.13 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.666 -0.494 . . . . 1.79 109.666 -178.366 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.829 ' HA ' HD12 ' A' ' 66' ' ' LEU . . . -56.77 -57.91 10.41 Favored 'General case' 0 CA--C 1.515 -0.378 0 N-CA-C 109.234 -0.654 . . . . 1.08 109.234 175.108 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.494 HG22 ' HB ' ' A' ' 7' ' ' ILE . 97.7 m -47.95 -48.46 32.09 Favored 'General case' 0 C--O 1.2 -1.536 0 C-N-CA 123.794 0.838 . . . . 1.15 112.17 172.73 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 28.5 ttpp -56.25 -34.86 66.78 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.29 0.636 . . . . 3.35 111.949 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.464 ' HB2' HD22 ' A' ' 66' ' ' LEU . 75.6 t80 -73.7 -41.34 62.73 Favored 'General case' 0 C--O 1.201 -1.486 0 N-CA-C 108.843 -0.799 . . . . 1.19 108.843 178.405 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.551 HG12 HD12 ' A' ' 58' ' ' ILE . 68.9 mt -68.41 -44.75 83.16 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.339 0 CA-C-N 115.837 -0.62 . . . . 1.07 109.483 -178.441 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.476 HD23 ' HG2' ' A' ' 4' ' ' GLN . 64.8 tp -54.01 -33.94 58.55 Favored 'General case' 0 C--N 1.316 -0.853 0 C-N-CA 124.408 1.083 . . . . 1.76 110.46 176.491 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -88.09 -40.73 13.56 Favored 'General case' 0 C--N 1.305 -1.369 0 CA-C-N 115.402 -0.817 . . . . 0.67 111.089 -178.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.42 ' HB2' ' O ' ' A' ' 75' ' ' TYR . 0.8 OUTLIER -87.06 5.2 38.78 Favored 'General case' 0 C--N 1.309 -1.161 0 N-CA-C 113.294 0.85 . . . . 1.87 113.294 -172.897 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.401 ' NE2' HG23 ' A' ' 76' ' ' ILE . 83.0 mm-40 -40.07 128.92 2.23 Favored 'General case' 0 C--O 1.244 0.799 0 O-C-N 124.093 0.871 . . . . 1.31 111.454 174.506 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.362 0 O-C-N 123.939 0.774 . . . . 2.36 111.861 -175.841 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.426 ' O ' HG13 ' A' ' 7' ' ' ILE . 62.5 m . . . . . 0 N--CA 1.403 -2.8 0 N-CA-C 107.309 -1.367 . . . . 1.6 107.309 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -44.64 -37.27 3.53 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.87 1.268 . . . . 1.66 112.892 -177.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -63.07 -35.2 79.45 Favored 'General case' 0 C--N 1.31 -1.141 0 C-N-CA 123.931 0.892 . . . . 2.3 110.824 -177.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -80.27 -30.45 38.36 Favored 'General case' 0 N--CA 1.437 -1.123 0 CA-C-N 115.365 -0.834 . . . . 1.92 109.853 -179.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.601 ' HB ' HG22 ' A' ' 73' ' ' THR . 25.5 mt -69.17 -52.9 28.9 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.211 0 N-CA-C 107.996 -1.113 . . . . 1.08 107.996 178.711 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.862 HG21 HD13 ' A' ' 28' ' ' LEU . 93.3 t -58.08 -33.93 47.86 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-N 116.151 -0.477 . . . . 1.1 110.613 175.362 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.498 ' O ' ' HG2' ' A' ' 13' ' ' GLU . . . -65.81 -41.51 91.79 Favored 'General case' 0 N--CA 1.445 -0.685 0 N-CA-C 109.848 -0.427 . . . . 1.08 109.848 177.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.14 -43.7 89.23 Favored Glycine 0 CA--C 1.495 -1.194 0 N-CA-C 110.773 -0.931 . . . . 0.31 110.773 178.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.449 ' HA ' HD12 ' A' ' 14' ' ' ILE . 86.8 mt -59.36 -42.17 90.97 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.592 -0.304 . . . . 1.02 110.651 176.808 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.41 -39.07 78.75 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 123.141 0.577 . . . . 1.08 110.874 177.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.498 ' HG2' ' O ' ' A' ' 9' ' ' ALA . 24.8 mm-40 -61.83 -52.98 61.95 Favored 'General case' 0 CA--C 1.503 -0.831 0 CA-C-O 121.645 0.736 . . . . 1.46 109.634 176.607 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.449 HD12 ' HA ' ' A' ' 11' ' ' LEU . 93.4 mt -54.78 -52.16 45.0 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 CA-C-N 113.702 -1.59 . . . . 1.16 110.332 -179.305 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.515 HG11 ' HB ' ' A' ' 21' ' ' ILE . 91.7 t -62.58 -37.43 78.9 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.981 0 CA-C-N 115.62 -0.718 . . . . 1.1 111.45 179.605 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.438 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 4.0 t-20 -64.07 -39.36 93.9 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-O 121.277 0.56 . . . . 0.64 109.601 179.33 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -71.87 -63.95 1.03 Allowed 'General case' 0 C--N 1.303 -1.434 0 CA-C-N 114.771 -1.104 . . . . 2.0 111.474 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.421 HG22 ' HB3' ' A' ' 42' ' ' SER . 76.0 mt -77.45 -52.84 15.66 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.2 0 CA-C-N 115.845 -0.616 . . . . 1.1 112.353 -171.147 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.498 ' HB1' HG11 ' A' ' 38' ' ' VAL . . . -77.6 -29.11 51.76 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-O 120.726 0.298 . . . . 0.93 110.392 -177.181 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.61 39.76 33.94 Favored Glycine 0 N--CA 1.442 -0.929 0 N-CA-C 110.709 -0.956 . . . . 0.46 110.709 -177.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.515 ' HB ' HG11 ' A' ' 15' ' ' VAL . 51.4 mm -117.82 136.66 23.8 Favored Pre-proline 0 C--N 1.314 -0.973 0 N-CA-C 109.202 -0.666 . . . . 1.2 109.202 -178.274 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.474 ' HD2' ' HA ' ' A' ' 21' ' ' ILE . 2.9 Cg_exo -35.74 122.84 0.25 Allowed 'Trans proline' 0 C--N 1.352 0.759 1 C-N-CA 125.504 4.136 . . . . 0.47 114.932 175.335 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 83.3 t -52.77 -42.47 42.25 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.626 0 CA-C-N 114.132 -1.395 . . . . 1.4 108.135 175.242 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -75.69 -22.25 56.84 Favored 'General case' 0 C--N 1.292 -1.928 0 CA-C-N 113.523 -1.671 . . . . 2.34 113.476 -174.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -82.53 -15.8 51.01 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 119.581 -0.848 . . . . 0.69 109.435 -179.269 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.616 HG13 HG11 ' A' ' 69' ' ' VAL . 55.1 t -78.34 79.22 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.308 -1.23 0 C-N-CA 125.081 1.352 . . . . 1.17 110.312 179.773 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.51 ' O ' HG21 ' A' ' 69' ' ' VAL . 11.4 pttm -116.01 169.45 9.24 Favored 'General case' 0 N--CA 1.424 -1.733 0 CA-C-N 113.615 -1.629 . . . . 2.23 106.83 174.284 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.862 HD13 HG21 ' A' ' 8' ' ' VAL . 6.6 mp -74.01 9.85 1.41 Allowed 'General case' 0 N--CA 1.484 1.241 0 N-CA-C 116.281 1.956 . . . . 1.7 116.281 -165.017 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -97.9 -3.26 38.94 Favored 'General case' 0 C--N 1.286 -2.165 0 CA-C-O 122.488 1.137 . . . . 2.11 108.89 178.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.435 ' O ' HG23 ' A' ' 69' ' ' VAL . 69.6 mmtt -99.19 122.04 41.85 Favored 'General case' 0 N--CA 1.423 -1.81 0 CA-C-N 114.736 -1.12 . . . . 1.65 113.11 -170.676 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.647 ' HB3' ' HB3' ' A' ' 34' ' ' ASP . 37.1 t -95.29 116.21 28.46 Favored 'General case' 0 N--CA 1.416 -2.161 0 N-CA-C 105.459 -2.052 . . . . 1.66 105.459 169.339 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.69 ' HA ' HD11 ' A' ' 36' ' ' LEU . 87.6 m-85 -35.0 -76.77 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.902 1.281 . . . . 0.61 113.718 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.495 HG22 ' HB ' ' A' ' 38' ' ' VAL . 0.2 OUTLIER -84.76 48.41 1.54 Allowed 'General case' 0 C--N 1.307 -1.266 0 N-CA-C 113.074 0.768 . . . . 1.08 113.074 179.3 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.647 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 6.8 t70 -149.35 -52.97 0.16 Allowed 'General case' 0 C--N 1.307 -1.279 0 CA-C-N 115.645 -0.707 . . . . 0.73 110.732 179.534 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -104.56 -54.89 2.44 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-N 115.832 -0.622 . . . . 1.46 109.707 -176.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.69 HD11 ' HA ' ' A' ' 32' ' ' PHE . 82.9 mt -62.68 -47.55 83.16 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.242 -0.89 . . . . 1.12 109.249 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.5 t70 75.4 86.95 0.09 Allowed 'General case' 0 CA--C 1.502 -0.866 0 C-N-CA 126.152 1.781 . . . . 1.14 109.824 -179.061 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.498 HG11 ' HB1' ' A' ' 19' ' ' ALA . 88.7 t -80.9 -86.87 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.305 -1.363 0 CA-C-N 114.175 -1.375 . . . . 2.39 108.24 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.5 t70 170.18 174.18 0.06 Allowed 'General case' 0 CA--C 1.485 -1.537 0 N-CA-C 103.024 -2.954 . . . . 0.79 103.024 178.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.1 t -90.04 -31.95 16.95 Favored 'General case' 0 C--N 1.248 -3.837 0 N-CA-C 108.173 -1.047 . . . . 1.37 108.173 -173.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 83.8 mt -87.02 -45.39 10.8 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 115.279 -0.873 . . . . 1.58 109.781 -179.132 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.421 ' HB3' HG22 ' A' ' 18' ' ' ILE . 13.5 m -64.24 -22.16 66.85 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 115.802 -0.636 . . . . 1.26 110.26 -176.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.522 ' O ' HG22 ' A' ' 47' ' ' VAL . 21.7 tpp -55.12 -43.05 73.75 Favored 'General case' 0 N--CA 1.44 -0.942 0 CA-C-N 115.026 -0.988 . . . . 1.22 110.666 175.767 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.419 ' O ' HG21 ' A' ' 48' ' ' VAL . 47.5 t -70.15 -26.07 28.84 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.19 0 CA-C-N 115.973 -0.558 . . . . 1.25 110.875 -175.425 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -81.96 -23.88 35.84 Favored 'General case' 0 N--CA 1.427 -1.604 0 C-N-CA 119.583 -0.847 . . . . 2.08 110.707 177.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.415 HG22 ' O ' ' A' ' 42' ' ' SER . 87.7 t -65.63 -40.69 88.71 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 N-CA-C 107.714 -1.217 . . . . 1.21 107.714 173.559 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.779 HG23 HG22 ' A' ' 63' ' ' VAL . 21.7 t -58.85 -61.65 1.33 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 N-CA-C 108.134 -1.062 . . . . 1.1 108.134 175.272 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.419 HG21 ' O ' ' A' ' 44' ' ' VAL . 84.2 t -49.38 -48.71 18.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 CA-C-N 115.843 -0.617 . . . . 1.36 112.322 177.115 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.58 -23.81 65.44 Favored 'General case' 0 C--O 1.212 -0.909 0 O-C-N 121.841 -0.537 . . . . 1.13 112.439 -178.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.37 -35.42 77.69 Favored 'General case' 0 C--O 1.24 0.561 0 N-CA-C 109.068 -0.716 . . . . 1.14 109.068 176.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.557 ' HG2' ' H ' ' A' ' 58' ' ' ILE . 35.5 mt-10 -65.92 -50.62 63.76 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 107.971 -1.122 . . . . 1.36 107.971 176.046 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -55.1 -37.94 67.5 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 114.096 -1.411 . . . . 2.09 111.051 -179.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.1 tpt180 -83.54 -52.57 6.37 Favored 'General case' 0 N--CA 1.429 -1.482 0 CA-C-N 115.582 -0.735 . . . . 3.27 111.557 -173.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.538 ' CD2' HD13 ' A' ' 76' ' ' ILE . 48.9 m-85 -95.53 -4.47 44.72 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 114.116 1.154 . . . . 1.11 114.116 -170.223 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 36.5 t70 77.59 -7.34 1.85 Allowed 'General case' 0 N--CA 1.5 2.031 0 C-N-CA 124.388 1.075 . . . . 2.02 111.257 177.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.512 HG11 ' HB2' ' A' ' 54' ' ' PHE . 11.7 p -76.52 164.71 3.42 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.162 0 CA-C-N 114.893 -1.048 . . . . 1.87 109.929 -179.641 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.43 ' HD2' ' OE2' ' A' ' 51' ' ' GLU . 24.0 tptm -110.73 105.88 14.9 Favored 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 108.627 -0.879 . . . . 2.26 108.627 178.19 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.692 HD12 HG12 ' A' ' 76' ' ' ILE . 21.9 mt -126.25 96.58 36.3 Favored Pre-proline 0 C--N 1.299 -1.622 0 N-CA-C 106.759 -1.571 . . . . 1.23 106.759 178.346 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.585 ' HD2' ' HB2' ' A' ' 62' ' ' ASP . 81.4 Cg_endo -86.68 165.94 8.95 Favored 'Trans proline' 0 N--CA 1.436 -1.874 0 C-N-CA 121.666 1.577 . . . . 0.76 110.939 177.393 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.473 ' O ' HG12 ' A' ' 63' ' ' VAL . 4.1 p-10 -51.81 -22.42 3.65 Favored 'General case' 0 C--N 1.319 -0.737 0 C-N-CA 124.394 1.078 . . . . 2.0 113.118 178.096 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.457 ' HA ' ' HE3' ' A' ' 64' ' ' LYS . 14.1 t70 -74.17 -50.37 19.57 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.031 0.443 . . . . 2.09 110.561 176.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.585 ' HB2' ' HD2' ' A' ' 59' ' ' PRO . 3.2 m-20 -72.36 -25.61 61.59 Favored 'General case' 0 CA--C 1.493 -1.214 0 CA-C-N 116.1 -0.5 . . . . 1.58 111.121 -179.748 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.779 HG22 HG23 ' A' ' 47' ' ' VAL . 0.8 OUTLIER -65.48 -21.33 29.02 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.163 0 CA-C-N 115.936 -0.574 . . . . 1.39 111.05 179.04 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.492 ' HZ2' ' HB2' ' A' ' 64' ' ' LYS . 10.3 mtmp? -66.93 -1.81 4.49 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.111 0.564 . . . . 2.97 112.279 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -107.43 1.41 23.56 Favored 'General case' 0 CA--C 1.498 -1.021 0 N-CA-C 107.222 -1.399 . . . . 2.62 107.222 -178.094 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.549 HD12 ' HA ' ' A' ' 72' ' ' ALA . 38.9 mt -119.47 150.06 40.85 Favored 'General case' 0 N--CA 1.397 -3.124 0 N-CA-C 107.016 -1.476 . . . . 1.67 107.016 -175.499 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.469 ' HD2' ' OD2' ' A' ' 71' ' ' ASP 0.281 0.0 OUTLIER -153.45 -34.42 0.11 Allowed 'General case' 0 C--N 1.278 -2.505 0 CA-C-N 115.124 -0.944 . . . . 3.58 112.215 176.138 . . . . . . . . 4 4 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.606 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 75.8 p -101.92 170.5 8.1 Favored 'General case' 0 C--N 1.308 -1.234 0 C-N-CA 117.44 -1.704 . . . . 1.09 110.548 173.573 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.806 HG22 ' HA ' ' A' ' 28' ' ' LEU . 6.9 m -62.77 -33.1 58.24 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.477 0 CA-C-N 114.8 -1.091 . . . . 1.15 109.201 172.278 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -67.06 -42.57 92.09 Favored Glycine 0 N--CA 1.434 -1.45 0 CA-C-N 114.882 -1.054 . . . . 0.36 111.517 178.04 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.469 ' OD2' ' HD2' ' A' ' 67' ' ' LYS . 15.0 m-20 -62.62 -47.77 82.31 Favored 'General case' 0 CA--C 1.486 -1.496 0 N-CA-C 109.737 -0.468 . . . . 1.79 109.737 177.776 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.549 ' HA ' HD12 ' A' ' 66' ' ' LEU . . . -54.03 -59.76 4.22 Favored 'General case' 0 N--CA 1.445 -0.683 0 O-C-N 124.313 1.008 . . . . 1.08 109.695 -179.756 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.601 HG22 ' HB ' ' A' ' 7' ' ' ILE . 85.8 m -49.1 -46.46 44.78 Favored 'General case' 0 C--O 1.202 -1.445 0 C-N-CA 123.729 0.811 . . . . 1.15 112.536 174.609 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -63.32 -31.81 73.06 Favored 'General case' 0 C--N 1.315 -0.923 0 C-N-CA 122.646 0.378 . . . . 3.35 111.071 -177.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.549 ' HB2' HD21 ' A' ' 66' ' ' LEU . 78.9 t80 -76.37 -44.13 37.69 Favored 'General case' 0 C--O 1.203 -1.385 0 N-CA-C 108.213 -1.032 . . . . 1.19 108.213 178.036 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.692 HG12 HD12 ' A' ' 58' ' ' ILE . 74.7 mt -62.3 -49.73 82.8 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.068 0 CA-C-N 115.705 -0.68 . . . . 1.07 109.959 -179.585 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 47.9 tp -49.96 -41.98 47.8 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 124.587 1.155 . . . . 1.76 111.017 179.356 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -89.34 -41.54 12.08 Favored 'General case' 0 C--N 1.296 -1.758 0 CA-C-N 115.392 -0.822 . . . . 0.67 112.78 -176.215 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -85.03 4.99 31.34 Favored 'General case' 0 C--N 1.308 -1.204 0 N-CA-C 113.138 0.792 . . . . 1.87 113.138 -174.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.435 ' NE2' HG21 ' A' ' 76' ' ' ILE . 82.9 mm-40 -35.16 131.47 0.42 Allowed 'General case' 0 N--CA 1.492 1.65 0 C-N-CA 124.193 0.997 . . . . 1.31 111.532 175.567 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.165 0 CA-C-O 119.026 -0.511 . . . . 2.36 110.738 -176.494 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.56 ' O ' HG13 ' A' ' 7' ' ' ILE . 4.5 m . . . . . 0 N--CA 1.415 -2.218 0 N-CA-C 107.757 -1.201 . . . . 1.6 107.757 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.495 ' HA ' HD12 ' A' ' 7' ' ' ILE . 23.3 mt-30 -52.52 -36.39 55.31 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 124.279 1.031 . . . . 1.66 111.513 -174.324 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -62.75 -41.02 99.0 Favored 'General case' 0 C--N 1.302 -1.462 0 CA-C-N 114.919 -1.037 . . . . 2.3 110.221 179.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -75.38 -28.47 59.51 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.668 -0.696 . . . . 1.92 110.225 -179.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.56 HG13 ' O ' ' A' ' 3' ' ' THR . 31.5 mt -65.7 -56.47 14.91 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.098 0 N-CA-C 107.859 -1.163 . . . . 1.08 107.859 176.027 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.453 ' HA ' HD12 ' A' ' 11' ' ' LEU . 84.5 t -58.54 -33.26 47.85 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.945 0 CA-C-N 115.882 -0.599 . . . . 1.1 110.887 175.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.435 ' O ' ' HG2' ' A' ' 13' ' ' GLU . . . -66.53 -41.9 88.04 Favored 'General case' 0 C--O 1.221 -0.417 0 N-CA-C 110.122 -0.325 . . . . 1.08 110.122 177.356 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -62.41 -41.09 99.78 Favored Glycine 0 CA--C 1.507 -0.465 0 N-CA-C 110.919 -0.872 . . . . 0.31 110.919 176.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.453 HD12 ' HA ' ' A' ' 8' ' ' VAL . 88.3 mt -61.02 -43.31 99.08 Favored 'General case' 0 N--CA 1.434 -1.257 0 C-N-CA 122.894 0.478 . . . . 1.02 109.86 175.408 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.18 -41.71 89.1 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 123.55 0.74 . . . . 1.08 111.526 178.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.435 ' HG2' ' O ' ' A' ' 9' ' ' ALA . 10.1 mm-40 -54.18 -52.41 61.27 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-O 121.925 0.869 . . . . 1.46 109.777 176.213 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.69 -52.27 62.82 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.053 0 CA-C-N 113.154 -1.839 . . . . 1.16 110.605 -177.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.497 HG12 HD12 ' A' ' 36' ' ' LEU . 92.7 t -58.74 -41.95 83.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.332 -0.394 . . . . 1.1 110.928 178.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.507 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 5.4 t-20 -60.39 -43.25 96.84 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-O 121.023 0.44 . . . . 0.64 110.226 -179.621 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -70.45 -58.49 3.66 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-N 115.582 -0.736 . . . . 2.0 111.148 -179.372 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.606 HG21 ' HB2' ' A' ' 45' ' ' GLU . 80.2 mt -78.36 -53.29 14.24 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.915 0 N-CA-C 113.156 0.798 . . . . 1.1 113.156 -172.055 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.634 ' HB3' HG13 ' A' ' 38' ' ' VAL . . . -77.03 -31.72 56.48 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.103 0.478 . . . . 0.93 109.956 -177.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.7 11.62 63.61 Favored Glycine 0 C--O 1.227 -0.296 0 CA-C-N 115.438 -0.801 . . . . 0.46 111.609 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.507 ' O ' ' HA ' ' A' ' 16' ' ' ASN . 49.9 mm -95.19 131.38 30.1 Favored Pre-proline 0 C--N 1.309 -1.193 0 CA-C-O 119.525 -0.274 . . . . 1.2 110.432 -176.434 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.489 ' HD2' ' HA ' ' A' ' 21' ' ' ILE . 14.1 Cg_exo -32.34 127.13 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.157 1 C-N-CA 125.605 4.204 . . . . 0.47 114.801 174.088 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 93.4 t -51.21 -36.44 16.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 CA-C-N 114.594 -1.184 . . . . 1.4 108.935 176.177 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -92.4 0.11 57.41 Favored 'General case' 0 N--CA 1.417 -2.081 0 N-CA-C 114.22 1.193 . . . . 2.34 114.22 -174.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.685 ' O ' ' HE3' ' A' ' 30' ' ' LYS . 18.8 t70 -93.32 -15.05 26.19 Favored 'General case' 0 C--O 1.208 -1.125 0 N-CA-C 106.693 -1.595 . . . . 0.69 106.693 172.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.475 ' HA ' HD23 ' A' ' 36' ' ' LEU . 81.7 t -78.18 71.83 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.058 0 CA-C-N 114.364 -1.289 . . . . 1.17 108.91 179.695 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.753 ' O ' HG21 ' A' ' 69' ' ' VAL . 80.1 mttt -85.96 179.35 7.01 Favored 'General case' 0 CA--C 1.489 -1.401 0 N-CA-C 107.312 -1.366 . . . . 2.23 107.312 178.087 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.466 HD21 ' O ' ' A' ' 28' ' ' LEU . 5.9 tt -86.16 -5.32 59.22 Favored 'General case' 0 C--N 1.291 -1.953 0 CA-C-O 121.605 0.717 . . . . 1.7 112.841 -170.494 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -96.65 -4.52 40.83 Favored 'General case' 0 C--N 1.274 -2.71 0 CA-C-O 121.216 0.531 . . . . 2.11 110.031 179.122 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.685 ' HE3' ' O ' ' A' ' 25' ' ' ASP . 63.1 mmtt -75.03 122.61 23.79 Favored 'General case' 0 C--N 1.309 -1.17 0 N-CA-C 113.237 0.829 . . . . 1.65 113.237 -172.765 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.519 ' HA ' HG21 ' A' ' 68' ' ' THR . 1.0 OUTLIER -90.74 38.06 0.94 Allowed 'General case' 0 CA--C 1.554 1.103 0 CA-C-N 116.315 -0.402 . . . . 1.66 111.165 -179.767 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.733 ' HA ' HD13 ' A' ' 36' ' ' LEU . 62.6 m-85 50.73 -100.65 0.09 Allowed 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 114.214 1.19 . . . . 0.61 114.214 178.766 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.54 HG23 ' HB ' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -69.09 33.46 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.801 0 C-N-CA 125.804 1.642 . . . . 1.08 115.125 -178.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.401 ' H ' ' C ' ' A' ' 32' ' ' PHE . 27.4 t70 -143.32 -71.88 0.3 Allowed 'General case' 0 C--N 1.294 -1.83 0 CA-C-N 116.331 -0.395 . . . . 0.73 110.677 178.673 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -78.49 -40.48 35.26 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.942 0.401 . . . . 1.46 111.265 -176.124 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.733 HD13 ' HA ' ' A' ' 32' ' ' PHE . 95.3 mt -74.51 -52.7 11.17 Favored 'General case' 0 CA--C 1.507 -0.699 0 N-CA-C 108.349 -0.982 . . . . 1.12 108.349 176.022 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.2 t70 81.53 92.89 0.04 OUTLIER 'General case' 0 CA--C 1.499 -0.994 0 C-N-CA 126.556 1.942 . . . . 1.14 109.83 -178.076 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.634 HG13 ' HB3' ' A' ' 19' ' ' ALA . 89.2 t -92.91 -90.74 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.295 -1.8 0 CA-C-N 114.084 -1.416 . . . . 2.39 107.847 -177.057 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.7 t70 172.12 171.43 0.1 Allowed 'General case' 0 CA--C 1.481 -1.69 0 N-CA-C 103.413 -2.81 . . . . 0.79 103.413 177.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.7 t -88.98 -31.82 17.94 Favored 'General case' 0 C--N 1.258 -3.371 0 N-CA-C 108.457 -0.942 . . . . 1.37 108.457 -173.309 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 91.8 mt -86.35 -33.33 20.59 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-O 121.451 0.643 . . . . 1.58 110.72 -178.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.423 ' HB3' HG23 ' A' ' 18' ' ' ILE . 7.4 m -74.46 -14.11 60.79 Favored 'General case' 0 N--CA 1.434 -1.236 0 CA-C-N 115.412 -0.813 . . . . 1.26 110.68 -176.391 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.556 ' HE3' ' HB3' ' A' ' 32' ' ' PHE . 28.9 tpp -64.48 -38.81 92.31 Favored 'General case' 0 N--CA 1.439 -0.976 0 CA-C-N 115.714 -0.675 . . . . 1.22 111.102 179.749 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.443 ' O ' HG22 ' A' ' 48' ' ' VAL . 38.7 t -72.5 -23.5 21.13 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.681 0 CA-C-N 116.064 -0.516 . . . . 1.25 110.138 -178.212 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.606 ' HB2' HG21 ' A' ' 18' ' ' ILE . 8.6 mm-40 -73.11 -35.52 66.57 Favored 'General case' 0 N--CA 1.438 -1.068 0 N-CA-C 108.05 -1.093 . . . . 2.08 108.05 179.61 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 66.6 t -60.2 -46.52 94.53 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.39 0 N-CA-C 108.283 -1.006 . . . . 1.21 108.283 175.16 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.509 HG11 HG23 ' A' ' 63' ' ' VAL . 92.4 t -53.12 -63.57 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 O-C-N 123.99 0.806 . . . . 1.1 109.601 175.638 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.443 HG22 ' O ' ' A' ' 44' ' ' VAL . 86.6 t -46.76 -52.13 4.17 Favored 'Isoleucine or valine' 0 C--O 1.251 1.155 0 O-C-N 124.063 0.852 . . . . 1.36 111.596 179.199 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.88 -39.45 94.23 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.271 -0.422 . . . . 1.13 111.939 -179.32 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.4 -43.4 98.91 Favored 'General case' 0 C--O 1.242 0.672 0 C-N-CA 122.334 0.254 . . . . 1.14 111.325 -179.058 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.578 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 40.2 mt-10 -56.6 -36.2 69.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.772 0.796 . . . . 1.36 110.593 179.189 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -83.24 -48.75 10.14 Favored 'General case' 0 C--N 1.306 -1.302 0 CA-C-N 114.943 -1.026 . . . . 2.09 111.564 -179.264 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 -64.41 -38.0 89.48 Favored 'General case' 0 CA--C 1.504 -0.794 0 C-N-CA 123.316 0.647 . . . . 3.27 110.793 -171.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.508 ' CD2' HG23 ' A' ' 76' ' ' ILE . 51.4 m-85 -100.32 -7.41 24.54 Favored 'General case' 0 C--N 1.297 -1.712 0 CA-C-N 115.22 -0.9 . . . . 1.11 111.109 -176.028 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.423 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 11.8 m-20 63.84 14.67 8.5 Favored 'General case' 0 N--CA 1.494 1.77 0 C-N-CA 124.45 1.1 . . . . 2.02 112.787 -178.54 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.578 ' O ' ' HA ' ' A' ' 51' ' ' GLU . 5.7 p -108.78 123.26 64.45 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.564 0 N-CA-C 108.963 -0.754 . . . . 1.87 108.963 179.757 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -70.89 103.87 2.76 Favored 'General case' 0 C--N 1.299 -1.589 0 CA-C-N 115.425 -0.807 . . . . 2.26 109.995 -178.067 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.732 HG21 HG21 ' A' ' 63' ' ' VAL . 11.5 mt -125.22 86.75 56.51 Favored Pre-proline 0 C--N 1.299 -1.593 0 N-CA-C 107.061 -1.459 . . . . 1.23 107.061 176.711 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -71.52 162.83 41.0 Favored 'Trans proline' 0 N--CA 1.442 -1.502 0 C-N-CA 121.107 1.205 . . . . 0.76 110.15 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.532 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 5.4 p-10 -48.42 -31.47 6.29 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.113 0.565 . . . . 2.0 111.574 179.171 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.426 ' HA ' ' HE3' ' A' ' 64' ' ' LYS . 21.1 t70 -60.2 -51.4 69.73 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 123.337 0.655 . . . . 2.09 112.019 177.659 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -73.71 -30.83 63.08 Favored 'General case' 0 N--CA 1.493 1.687 0 CA-C-O 121.555 0.693 . . . . 1.58 110.194 179.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.732 HG21 HG21 ' A' ' 58' ' ' ILE . 5.4 t -59.44 -22.62 23.32 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.572 0 CA-C-N 114.437 -1.256 . . . . 1.39 111.545 177.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.532 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 10.2 mtmp? -70.91 -1.83 13.14 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 113.284 0.846 . . . . 2.97 113.284 179.161 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -107.72 -11.7 15.37 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 106.694 -1.595 . . . . 2.62 106.694 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.548 ' HA ' ' OD1' ' A' ' 71' ' ' ASP . 52.7 mt -97.36 146.6 25.01 Favored 'General case' 0 N--CA 1.428 -1.527 0 N-CA-C 105.998 -1.853 . . . . 1.67 105.998 179.06 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.428 ' HE2' ' OD2' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -149.26 -9.3 0.33 Allowed 'General case' 0 C--N 1.282 -2.364 0 N-CA-C 113.798 1.036 . . . . 3.58 113.798 -178.2 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.519 HG21 ' HA ' ' A' ' 31' ' ' SER . 26.8 p -137.69 172.93 12.22 Favored 'General case' 0 N--CA 1.423 -1.787 0 N-CA-C 109.402 -0.592 . . . . 1.09 109.402 176.387 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.753 HG21 ' O ' ' A' ' 27' ' ' LYS . 3.3 m -60.64 -48.8 87.11 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.746 0 CA-C-N 115.023 -0.99 . . . . 1.15 109.852 173.585 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.469 ' H ' HG22 ' A' ' 69' ' ' VAL . . . -64.26 -32.82 85.47 Favored Glycine 0 N--CA 1.436 -1.366 0 CA-C-N 115.86 -0.609 . . . . 0.36 112.481 177.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.548 ' OD1' ' HA ' ' A' ' 66' ' ' LEU . 6.4 t70 -69.94 -43.46 71.58 Favored 'General case' 0 CA--C 1.508 -0.661 0 N-CA-C 108.807 -0.812 . . . . 1.79 108.807 -179.521 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.463 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -57.29 -53.0 63.07 Favored 'General case' 0 CA--C 1.514 -0.408 0 N-CA-C 108.62 -0.881 . . . . 1.08 108.62 176.106 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.478 ' HA ' HG21 ' A' ' 7' ' ' ILE . 85.7 m -48.86 -48.08 42.32 Favored 'General case' 0 C--O 1.188 -2.138 0 C-N-CA 123.843 0.857 . . . . 1.15 111.737 172.452 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 28.3 tptp -58.51 -26.87 63.93 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 123.252 0.621 . . . . 3.35 111.458 -179.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.456 ' HB2' HD21 ' A' ' 66' ' ' LEU . 44.9 t80 -83.96 -51.27 7.27 Favored 'General case' 0 C--N 1.314 -0.969 0 N-CA-C 108.552 -0.907 . . . . 1.19 108.552 177.26 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.508 HG23 ' CD2' ' A' ' 54' ' ' PHE . 82.0 mt -60.5 -51.74 69.56 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.536 0 C-N-CA 124.308 1.043 . . . . 1.07 111.242 -178.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.435 ' HA ' HE21 ' A' ' 80' ' ' GLN . 59.0 tp -50.83 -41.19 57.4 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.31 1.044 . . . . 1.76 111.352 179.329 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -77.87 -46.14 22.21 Favored 'General case' 0 C--N 1.307 -1.264 0 CA-C-N 114.879 -1.055 . . . . 0.67 110.322 -175.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -72.0 -58.93 3.02 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-N 114.702 -1.135 . . . . 1.87 113.587 -177.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.461 ' NE2' HG22 ' A' ' 76' ' ' ILE . 84.2 mm-40 39.83 95.74 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 125.485 1.514 . . . . 1.31 114.778 -174.276 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.423 ' HA ' ' O ' ' A' ' 55' ' ' ASP . . . . . . . . 0 C--O 1.249 1.037 0 C-N-CA 124.319 1.047 . . . . 2.36 111.599 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.4 m . . . . . 0 N--CA 1.422 -1.838 0 N-CA-C 105.913 -1.884 . . . . 1.6 105.913 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.589 ' HA ' HD11 ' A' ' 7' ' ' ILE . 52.7 mt-30 -50.61 -30.9 14.47 Favored 'General case' 0 C--N 1.312 -1.023 0 N-CA-C 114.341 1.237 . . . . 1.66 114.341 -173.321 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -61.76 -39.18 90.72 Favored 'General case' 0 C--N 1.315 -0.904 0 C-N-CA 122.769 0.428 . . . . 2.3 110.347 175.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -74.41 -26.56 60.16 Favored 'General case' 0 C--N 1.315 -0.92 0 C-N-CA 123.839 0.855 . . . . 1.92 108.794 -178.3 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.614 HG21 ' HA ' ' A' ' 73' ' ' THR . 29.9 mt -71.81 -57.91 6.31 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.246 0 N-CA-C 107.678 -1.23 . . . . 1.08 107.678 177.461 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.9 t -54.88 -48.19 74.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.622 -0.717 . . . . 1.1 110.616 177.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.15 -32.59 74.36 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.556 -0.293 . . . . 1.08 111.318 179.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.52 -44.06 97.18 Favored Glycine 0 CA--C 1.495 -1.184 0 N-CA-C 109.629 -1.389 . . . . 0.31 109.629 175.443 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.453 ' O ' HG22 ' A' ' 15' ' ' VAL . 96.9 mt -60.13 -49.69 76.65 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 109.237 -0.653 . . . . 1.02 109.237 175.598 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.36 -45.37 72.75 Favored 'General case' 0 C--N 1.317 -0.819 0 C-N-CA 124.216 1.006 . . . . 1.08 112.721 -178.165 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -69.64 -21.72 63.53 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 112.83 0.678 . . . . 1.46 112.83 -179.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 96.4 mt -86.0 -42.87 16.2 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.284 0 CA-C-O 121.464 0.65 . . . . 1.16 109.305 176.072 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.453 HG22 ' O ' ' A' ' 11' ' ' LEU . 78.4 t -61.41 -43.26 96.4 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.993 0 CA-C-N 115.845 -0.616 . . . . 1.1 110.905 179.23 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -63.72 -29.38 70.6 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-O 121.498 0.666 . . . . 0.64 110.133 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -79.14 -53.49 6.94 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 114.938 -1.028 . . . . 2.0 110.975 -179.05 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.639 HG23 ' HB3' ' A' ' 42' ' ' SER . 92.0 mt -87.37 -53.07 10.72 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.706 0 N-CA-C 112.734 0.642 . . . . 1.1 112.734 -175.034 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.561 ' HB1' HG12 ' A' ' 38' ' ' VAL . . . -75.34 -37.94 60.43 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.996 0.427 . . . . 0.93 110.678 -177.069 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.38 3.35 61.46 Favored Glycine 0 N--CA 1.447 -0.617 0 CA-C-N 115.228 -0.896 . . . . 0.46 111.013 -178.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.443 ' HA ' ' HD2' ' A' ' 22' ' ' PRO . 48.4 mm -88.09 130.44 46.24 Favored Pre-proline 0 C--N 1.31 -1.111 0 N-CA-C 109.674 -0.491 . . . . 1.2 109.674 -178.133 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.443 ' HD2' ' HA ' ' A' ' 21' ' ' ILE . 7.6 Cg_exo -34.3 132.78 0.16 Allowed 'Trans proline' 0 C--N 1.354 0.862 1 C-N-CA 125.399 4.066 . . . . 0.47 115.276 175.66 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 97.1 t -55.06 -33.18 28.81 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.416 0 CA-C-N 114.146 -1.388 . . . . 1.4 107.757 174.274 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.451 ' O ' ' HE3' ' A' ' 27' ' ' LYS . 11.3 pt-20 -87.2 -9.04 56.18 Favored 'General case' 0 C--N 1.297 -1.685 0 CA-C-N 114.045 -1.434 . . . . 2.34 113.806 -175.562 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.527 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 24.5 t70 -89.65 -18.5 26.37 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 107.519 -1.289 . . . . 0.69 107.519 178.581 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.696 HG13 HG11 ' A' ' 69' ' ' VAL . 53.0 t -81.2 81.14 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.432 -1.348 0 CA-C-N 113.475 -1.693 . . . . 1.17 108.271 178.17 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.451 ' HE3' ' O ' ' A' ' 24' ' ' GLU . 34.0 mmtp -92.09 -122.63 0.08 Allowed 'General case' 0 C--N 1.297 -1.702 0 CA-C-N 113.525 -1.67 . . . . 2.23 109.744 178.385 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.594 ' HA ' HG23 ' A' ' 69' ' ' VAL . 5.7 tt -134.89 -23.33 1.56 Allowed 'General case' 0 C--N 1.314 -0.951 0 C-N-CA 118.431 -1.307 . . . . 1.7 111.846 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -90.84 -3.53 57.3 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-O 122.507 1.146 . . . . 2.11 109.126 -179.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.66 ' O ' HG21 ' A' ' 69' ' ' VAL . 41.1 mmtm -82.57 120.82 26.01 Favored 'General case' 0 C--N 1.298 -1.637 0 CA-C-N 114.461 -1.245 . . . . 1.65 112.085 -172.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.716 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 7.3 m -85.05 120.02 26.09 Favored 'General case' 0 N--CA 1.398 -3.069 0 N-CA-C 107.569 -1.271 . . . . 1.66 107.569 175.704 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.759 ' HA ' HD13 ' A' ' 36' ' ' LEU . 68.9 m-85 -32.81 -91.74 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 114.554 1.316 . . . . 0.61 114.554 174.072 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.698 HG22 ' HB ' ' A' ' 38' ' ' VAL . 0.7 OUTLIER -81.68 60.65 4.72 Favored 'General case' 0 C--N 1.284 -2.247 0 N-CA-C 113.575 0.954 . . . . 1.08 113.575 177.394 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.64 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 23.0 t70 -169.14 -49.15 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.496 0 CA-C-O 120.993 0.425 . . . . 0.73 110.394 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -95.36 -51.77 4.44 Favored 'General case' 0 N--CA 1.482 1.157 0 N-CA-C 109.179 -0.674 . . . . 1.46 109.179 175.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.759 HD13 ' HA ' ' A' ' 32' ' ' PHE . 80.6 mt -72.34 -51.72 19.36 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.328 -0.851 . . . . 1.12 110.118 -177.82 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.3 t70 80.51 95.79 0.05 Allowed 'General case' 0 CA--C 1.504 -0.813 0 C-N-CA 126.254 1.822 . . . . 1.14 109.467 -176.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.698 ' HB ' HG22 ' A' ' 33' ' ' THR . 93.9 t -98.42 -90.88 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.298 -1.65 0 CA-C-N 114.577 -1.192 . . . . 2.39 110.141 -173.415 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.538 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 18.3 t70 174.22 -175.01 0.07 Allowed 'General case' 0 C--N 1.298 -1.663 0 N-CA-C 105.67 -1.974 . . . . 0.79 105.67 -177.596 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.504 ' H ' ' CG ' ' A' ' 39' ' ' ASP . 4.7 t -94.65 -49.69 5.51 Favored 'General case' 0 C--N 1.272 -2.793 0 N-CA-C 107.557 -1.275 . . . . 1.37 107.557 -174.137 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 80.9 mt -86.42 -34.2 20.22 Favored 'General case' 0 C--N 1.292 -1.906 0 CA-C-N 113.722 -1.581 . . . . 1.58 109.972 -173.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.639 ' HB3' HG23 ' A' ' 18' ' ' ILE . 22.1 m -67.7 -25.3 65.61 Favored 'General case' 0 N--CA 1.438 -1.042 0 CA-C-N 115.316 -0.857 . . . . 1.26 109.587 179.211 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.583 ' HE2' ' HB3' ' A' ' 32' ' ' PHE . 26.9 tpp -59.94 -47.05 87.38 Favored 'General case' 0 N--CA 1.44 -0.955 0 CA-C-N 115.604 -0.726 . . . . 1.22 110.571 177.692 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 41.5 t -71.11 -26.98 28.21 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-N 115.706 -0.679 . . . . 1.25 110.4 -177.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.504 ' HB2' HG21 ' A' ' 18' ' ' ILE . 54.6 mm-40 -71.29 -39.12 71.69 Favored 'General case' 0 N--CA 1.431 -1.395 0 N-CA-C 109.501 -0.555 . . . . 2.08 109.501 178.078 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.482 HG21 ' O ' ' A' ' 42' ' ' SER . 77.7 t -55.43 -51.47 56.69 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.016 0 N-CA-C 108.785 -0.82 . . . . 1.21 108.785 175.261 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 64.5 t -57.52 -64.47 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.621 0 O-C-N 123.635 0.585 . . . . 1.1 111.159 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 93.7 t -52.58 -50.56 39.81 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.855 0 N-CA-C 112.401 0.519 . . . . 1.36 112.401 -179.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.76 -26.32 66.06 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 117.875 0.307 . . . . 1.13 111.705 -178.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . 0.415 ' O ' ' HD1' ' A' ' 54' ' ' PHE . . . -65.39 -35.86 82.23 Favored 'General case' 0 C--O 1.204 -1.316 0 N-CA-C 108.741 -0.837 . . . . 1.14 108.741 178.038 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . 0.253 48.0 mm-40 -58.04 -27.09 63.27 Favored 'General case' 0 N--CA 1.404 -2.731 0 N-CA-C 116.942 2.201 . . . . 1.36 116.942 175.403 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -82.85 -19.76 36.92 Favored 'General case' 0 C--N 1.306 -1.313 0 CA-C-O 122.085 0.945 . . . . 2.09 109.084 176.205 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 -88.61 -52.61 5.06 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-N 115.271 -0.877 . . . . 3.27 110.438 -178.304 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.581 ' HE2' ' HA ' ' A' ' 7' ' ' ILE . 75.6 m-85 -91.34 -38.41 12.64 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 123.952 0.901 . . . . 1.11 112.801 -172.392 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.2 t70 71.65 26.78 3.05 Favored 'General case' 0 N--CA 1.499 1.99 0 C-N-CA 123.674 0.79 . . . . 2.02 111.694 174.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.403 HG22 HG23 ' A' ' 76' ' ' ILE . 19.8 m -104.65 3.15 10.53 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.024 0 N-CA-C 114.11 1.152 . . . . 1.87 114.11 -171.691 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . 0.259 14.2 mmmm 54.78 86.92 0.05 OUTLIER 'General case' 0 C--N 1.294 -1.813 0 C-N-CA 126.765 2.026 . . . . 2.26 113.572 -177.189 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.821 HG23 HG21 ' A' ' 63' ' ' VAL . 8.4 mt -114.81 101.26 54.37 Favored Pre-proline 0 C--N 1.296 -1.722 0 N-CA-C 106.828 -1.545 . . . . 1.23 106.828 178.796 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.47 ' HD2' ' HB2' ' A' ' 62' ' ' ASP . 56.6 Cg_endo -84.9 156.7 11.61 Favored 'Trans proline' 0 N--CA 1.442 -1.52 0 C-N-CA 121.305 1.337 . . . . 0.76 110.305 175.305 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.644 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 3.8 p30 -43.44 -37.63 2.45 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.442 0.697 . . . . 2.0 112.805 176.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -63.13 -44.15 96.4 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 112.523 0.564 . . . . 2.09 112.523 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.47 ' HB2' ' HD2' ' A' ' 59' ' ' PRO . 0.9 OUTLIER -72.5 -32.48 66.2 Favored 'General case' 0 CA--C 1.49 -1.364 0 CA-C-O 121.61 0.719 . . . . 1.58 109.775 179.052 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.821 HG21 HG23 ' A' ' 58' ' ' ILE . 2.9 t -60.2 -25.56 33.88 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.81 0 CA-C-N 114.248 -1.342 . . . . 1.39 111.432 174.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.644 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 95.1 mttt -76.79 -0.05 22.42 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-O 121.36 0.6 . . . . 2.97 111.878 178.466 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 47.7 m-80 -116.1 10.71 15.08 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 106.972 -1.492 . . . . 2.62 106.972 -179.126 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.633 HD11 ' HA ' ' A' ' 72' ' ' ALA . 53.4 mt -120.33 158.96 25.99 Favored 'General case' 0 N--CA 1.402 -2.874 0 N-CA-C 103.853 -2.647 . . . . 1.67 103.853 175.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.516 ' HD2' ' OD2' ' A' ' 71' ' ' ASP 0.338 0.0 OUTLIER -154.61 -22.55 0.12 Allowed 'General case' 0 C--N 1.285 -2.222 0 N-CA-C 113.93 1.085 . . . . 3.58 113.93 176.757 . . . . . . . . 4 4 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.716 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 77.4 p -113.15 176.28 5.09 Favored 'General case' 0 N--CA 1.432 -1.345 0 C-N-CA 119.22 -0.992 . . . . 1.09 110.974 172.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.696 HG11 HG13 ' A' ' 26' ' ' VAL . 2.4 m -67.87 -27.63 38.49 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.133 0 CA-C-N 114.537 -1.211 . . . . 1.15 109.723 170.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -70.41 -43.1 63.13 Favored Glycine 0 N--CA 1.429 -1.809 0 CA-C-N 115.111 -0.95 . . . . 0.36 110.913 176.079 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.516 ' OD2' ' HD2' ' A' ' 67' ' ' LYS . 18.1 m-20 -61.17 -46.71 89.4 Favored 'General case' 0 CA--C 1.493 -1.231 0 C-N-CA 122.367 0.267 . . . . 1.79 111.131 178.575 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.633 ' HA ' HD11 ' A' ' 66' ' ' LEU . . . -54.38 -59.48 4.62 Favored 'General case' 0 C--O 1.222 -0.393 0 N-CA-C 109.173 -0.677 . . . . 1.08 109.173 178.016 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.614 ' HA ' HG21 ' A' ' 7' ' ' ILE . 90.0 m -48.86 -48.55 41.88 Favored 'General case' 0 C--O 1.207 -1.14 0 C-N-CA 124.122 0.969 . . . . 1.15 113.15 173.69 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -58.57 -37.27 75.39 Favored 'General case' 0 C--N 1.314 -0.958 0 C-N-CA 123.154 0.581 . . . . 3.35 111.187 -179.223 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.543 ' HB2' HD23 ' A' ' 66' ' ' LEU . 89.9 t80 -74.9 -44.08 50.76 Favored 'General case' 0 N--CA 1.44 -0.927 0 N-CA-C 108.855 -0.795 . . . . 1.19 108.855 179.435 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.463 HG22 ' CD2' ' A' ' 54' ' ' PHE . 88.7 mt -63.75 -46.1 95.45 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.626 0 CA-C-N 115.212 -0.904 . . . . 1.07 110.648 -179.677 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.477 ' HA ' HE21 ' A' ' 80' ' ' GLN . 17.9 tp -61.96 -29.37 70.19 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-O 121.617 0.722 . . . . 1.76 110.818 178.668 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -79.79 -43.07 23.15 Favored 'General case' 0 C--N 1.293 -1.883 0 CA-C-N 115.363 -0.835 . . . . 0.67 110.173 -178.268 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . 0.402 ' HB3' ' HB ' ' A' ' 56' ' ' VAL . 0.1 OUTLIER -71.65 -52.18 19.3 Favored 'General case' 0 C--N 1.297 -1.708 0 CA-C-N 114.537 -1.21 . . . . 1.87 111.849 179.503 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.477 HE21 ' HA ' ' A' ' 77' ' ' LEU . 63.1 mm-40 30.6 112.01 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 118.769 2.877 . . . . 1.31 118.769 179.396 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.407 -2.577 0 N-CA-C 106.74 -1.578 . . . . 2.36 106.74 176.087 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' THR . . . . . 0.538 ' O ' HG13 ' A' ' 7' ' ' ILE . 63.6 p . . . . . 0 N--CA 1.432 -1.333 0 N-CA-C 107.939 -1.134 . . . . 1.6 107.939 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . 0.409 ' HA ' HD11 ' A' ' 7' ' ' ILE . 25.6 mt-30 -51.65 -31.82 27.07 Favored 'General case' 0 N--CA 1.483 1.208 0 N-CA-C 112.31 0.485 . . . . 1.66 112.31 -174.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 19.9 mp0 -70.71 -37.34 73.55 Favored 'General case' 0 C--N 1.308 -1.222 0 CA-C-N 115.572 -0.74 . . . . 2.3 109.542 -176.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -70.39 -33.64 71.64 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 121.541 0.686 . . . . 1.92 109.402 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.538 HG13 ' O ' ' A' ' 3' ' ' THR . 29.3 mt -66.47 -55.9 16.57 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.131 0 CA-C-N 114.629 -1.168 . . . . 1.08 108.1 177.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.475 HG22 HD12 ' A' ' 28' ' ' LEU . 53.4 t -55.65 -39.46 55.03 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.712 0 CA-C-N 115.859 -0.609 . . . . 1.1 111.4 177.096 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.86 -37.97 86.5 Favored 'General case' 0 C--O 1.242 0.69 0 C-N-CA 122.824 0.45 . . . . 1.08 110.889 177.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.32 -43.78 87.21 Favored Glycine 0 CA--C 1.496 -1.112 0 N-CA-C 110.533 -1.027 . . . . 0.31 110.533 177.047 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.464 ' O ' HG22 ' A' ' 15' ' ' VAL . 96.4 mt -59.42 -50.46 73.88 Favored 'General case' 0 C--N 1.314 -0.939 0 N-CA-C 109.637 -0.505 . . . . 1.02 109.637 177.159 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.422 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -53.7 -43.7 69.18 Favored 'General case' 0 C--N 1.316 -0.888 0 C-N-CA 124.733 1.213 . . . . 1.08 112.476 -178.581 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -67.31 -42.96 82.82 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 119.732 -0.787 . . . . 1.46 112.099 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 93.9 mt -60.93 -49.23 85.52 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.98 0 CA-C-O 121.374 0.607 . . . . 1.16 109.666 176.293 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.464 HG22 ' O ' ' A' ' 11' ' ' LEU . 91.1 t -58.9 -46.61 91.2 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.387 0 CA-C-N 115.427 -0.806 . . . . 1.1 110.268 178.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -64.79 -31.98 73.46 Favored 'General case' 0 C--N 1.297 -1.692 0 O-C-N 122.002 -0.436 . . . . 0.64 111.67 -179.315 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -72.16 -51.63 20.4 Favored 'General case' 0 C--N 1.304 -1.375 0 CA-C-N 115.822 -0.626 . . . . 2.0 111.067 179.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.637 HG23 ' HB2' ' A' ' 45' ' ' GLU . 75.9 mt -88.9 -54.22 8.16 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 CA-C-O 121.45 0.643 . . . . 1.1 111.913 -174.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.598 ' HB1' HG21 ' A' ' 38' ' ' VAL . . . -76.59 -40.32 49.88 Favored 'General case' 0 C--N 1.307 -1.266 0 CA-C-N 115.496 -0.775 . . . . 0.93 109.775 -176.783 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.78 21.42 39.88 Favored Glycine 0 C--O 1.214 -1.116 0 CA-C-N 115.613 -0.722 . . . . 0.46 111.432 -179.241 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . 0.512 HG22 HD23 ' A' ' 36' ' ' LEU . 48.8 mm -96.06 130.95 29.88 Favored Pre-proline 0 C--N 1.307 -1.253 0 N-CA-C 109.212 -0.662 . . . . 1.2 109.212 -178.412 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.493 ' HD2' ' HA ' ' A' ' 21' ' ' ILE . 12.9 Cg_exo -31.39 125.51 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 1 C-N-CA 125.866 4.377 . . . . 0.47 114.926 174.939 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.422 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 89.2 t -59.55 -32.69 49.6 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-N 113.943 -1.481 . . . . 1.4 108.788 179.112 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -89.74 -14.38 34.76 Favored 'General case' 0 N--CA 1.425 -1.691 0 N-CA-C 113.378 0.881 . . . . 2.34 113.378 -177.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.43 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 10.3 t70 -86.39 -19.09 30.23 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-O 122.271 1.034 . . . . 0.69 108.474 -179.016 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.706 HG13 HG11 ' A' ' 69' ' ' VAL . 32.3 t -72.5 86.09 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.915 0 CA-C-N 113.905 -1.498 . . . . 1.17 108.322 172.227 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -96.02 -122.11 0.11 Allowed 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 113.846 -1.524 . . . . 2.23 109.322 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.641 ' HA ' HG23 ' A' ' 69' ' ' VAL . 8.2 mp -129.11 -31.22 2.13 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 113.459 0.911 . . . . 1.7 113.459 176.652 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -82.49 -6.95 59.62 Favored 'General case' 0 N--CA 1.484 1.274 0 CA-C-O 122.795 1.283 . . . . 2.11 109.378 -177.293 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.623 ' O ' HG21 ' A' ' 69' ' ' VAL . 39.5 mmtm -78.05 105.16 9.08 Favored 'General case' 0 C--N 1.295 -1.783 0 CA-C-N 113.902 -1.499 . . . . 1.65 112.42 -174.569 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.567 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 17.7 m -72.15 115.67 11.65 Favored 'General case' 0 N--CA 1.398 -3.037 0 N-CA-C 107.372 -1.344 . . . . 1.66 107.372 170.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.763 ' HA ' HD12 ' A' ' 36' ' ' LEU . 96.6 m-85 -35.18 -84.5 0.0 OUTLIER 'General case' 0 C--N 1.312 -1.061 0 N-CA-C 114.149 1.166 . . . . 0.61 114.149 176.537 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' THR . . . . . 0.533 HG21 ' HE3' ' A' ' 43' ' ' MET . 0.0 OUTLIER -83.34 45.54 1.05 Allowed 'General case' 0 C--N 1.295 -1.801 0 N-CA-C 113.831 1.049 . . . . 1.08 113.831 -179.824 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.567 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 7.1 t70 -153.99 -63.65 0.14 Allowed 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.926 -0.579 . . . . 0.73 110.491 179.208 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.517 ' OD2' ' HD3' ' A' ' 30' ' ' LYS . 6.8 t70 -88.83 -43.95 10.85 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.331 -0.618 . . . . 1.46 109.331 -174.765 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.763 HD12 ' HA ' ' A' ' 32' ' ' PHE . 96.1 mt -71.06 -54.39 11.34 Favored 'General case' 0 CA--C 1.511 -0.529 0 N-CA-C 106.555 -1.646 . . . . 1.12 106.555 172.707 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.8 t70 72.93 86.07 0.11 Allowed 'General case' 0 CA--C 1.509 -0.607 0 CA-C-N 113.956 -1.474 . . . . 1.14 112.16 173.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.598 HG21 ' HB1' ' A' ' 19' ' ' ALA . 3.2 p -112.3 -89.95 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.433 -1.324 0 N-CA-C 113.818 1.044 . . . . 2.39 113.818 176.695 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.594 ' H ' HG11 ' A' ' 38' ' ' VAL . 10.7 t70 -159.34 172.75 17.41 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 108.786 -0.82 . . . . 0.79 108.786 -174.267 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.413 ' H ' ' CG ' ' A' ' 39' ' ' ASP . 27.4 t -84.39 -53.82 5.19 Favored 'General case' 0 C--N 1.28 -2.442 0 C-N-CA 125.177 1.391 . . . . 1.37 111.037 -172.239 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 48.9 mt -73.65 -28.12 61.61 Favored 'General case' 0 CA--C 1.492 -1.273 0 C-N-CA 120.425 -0.51 . . . . 1.58 109.843 -173.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.554 ' O ' HG23 ' A' ' 46' ' ' VAL . 17.1 m -68.9 -28.17 66.44 Favored 'General case' 0 N--CA 1.424 -1.745 0 CA-C-N 115.015 -0.993 . . . . 1.26 108.969 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.533 ' HE3' HG21 ' A' ' 33' ' ' THR . 23.9 tpp -71.01 -40.64 71.67 Favored 'General case' 0 N--CA 1.429 -1.508 0 CA-C-N 115.661 -0.699 . . . . 1.22 110.473 -177.526 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.412 ' O ' HG21 ' A' ' 48' ' ' VAL . 45.0 t -68.31 -37.1 77.46 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.981 0 N-CA-C 109.074 -0.713 . . . . 1.25 109.074 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.637 ' HB2' HG23 ' A' ' 18' ' ' ILE . 70.3 mm-40 -64.7 -36.55 84.65 Favored 'General case' 0 N--CA 1.44 -0.948 0 CA-C-N 116.265 -0.425 . . . . 2.08 110.178 177.563 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 42' ' ' SER . 75.6 t -60.6 -48.49 88.37 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.623 0 N-CA-C 109.201 -0.666 . . . . 1.21 109.201 176.413 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.482 HG22 ' O ' ' A' ' 43' ' ' MET . 63.3 t -50.45 -63.46 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 O-C-N 123.935 0.772 . . . . 1.1 109.315 176.475 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.412 HG21 ' O ' ' A' ' 44' ' ' VAL . 57.3 t -47.77 -54.04 4.11 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.049 0 CA-C-N 115.216 -0.902 . . . . 1.36 111.569 178.133 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.92 -35.45 80.72 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.628 0.603 . . . . 1.13 112.628 -177.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.04 -39.84 93.72 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.817 0.342 . . . . 1.14 110.627 179.451 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.617 ' HG2' ' H ' ' A' ' 58' ' ' ILE . 40.8 mt-10 -61.38 -36.5 80.44 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 122.025 0.917 . . . . 1.36 110.425 178.752 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -77.75 -38.32 47.24 Favored 'General case' 0 C--N 1.305 -1.365 0 CA-C-N 114.665 -1.152 . . . . 2.09 110.651 -178.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 32.4 tpt180 -80.79 -38.27 28.75 Favored 'General case' 0 C--N 1.312 -1.039 0 N-CA-C 112.428 0.529 . . . . 3.27 112.428 -173.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.498 ' CD2' HG21 ' A' ' 76' ' ' ILE . 33.1 m-85 -98.85 -7.25 27.64 Favored 'General case' 0 C--N 1.307 -1.267 0 N-CA-C 112.343 0.498 . . . . 1.11 112.343 -175.206 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 67.5 15.63 9.85 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 123.911 0.884 . . . . 2.02 112.32 -178.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.563 ' O ' ' HA ' ' A' ' 51' ' ' GLU . 6.9 p -118.87 120.69 64.83 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.428 0 N-CA-C 109.088 -0.708 . . . . 1.87 109.088 179.098 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.441 ' HZ2' ' HB3' ' A' ' 57' ' ' LYS . 3.5 mmmp? -74.21 97.92 3.07 Favored 'General case' 0 C--N 1.291 -1.947 0 CA-C-N 115.008 -0.996 . . . . 2.26 110.488 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.617 ' H ' ' HG2' ' A' ' 51' ' ' GLU . 17.7 mt -98.26 98.51 5.8 Favored Pre-proline 0 C--N 1.296 -1.754 0 N-CA-C 105.831 -1.914 . . . . 1.23 105.831 173.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -68.0 141.16 52.29 Favored 'Trans proline' 0 N--CA 1.444 -1.407 0 C-N-CA 121.618 1.545 . . . . 0.76 112.942 -173.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.505 ' O ' HG11 ' A' ' 63' ' ' VAL . 1.1 m-20 -41.13 -35.33 0.56 Allowed 'General case' 0 C--O 1.211 -0.97 0 C-N-CA 126.754 2.022 . . . . 2.0 112.824 176.771 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -75.11 -42.75 55.79 Favored 'General case' 0 C--N 1.307 -1.266 0 N-CA-C 111.978 0.362 . . . . 2.09 111.978 179.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -87.03 -22.69 25.32 Favored 'General case' 0 CA--C 1.508 -0.639 0 CA-C-O 121.224 0.535 . . . . 1.58 110.677 -174.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.505 HG11 ' O ' ' A' ' 60' ' ' ASP . 4.0 p -63.58 -23.23 32.8 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.024 0 CA-C-N 115.423 -0.808 . . . . 1.39 109.907 -179.79 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.432 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 90.0 mttt -72.1 -6.26 41.22 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 115.431 -0.804 . . . . 2.97 111.322 -179.121 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 49.1 m-80 -88.59 -22.36 23.55 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.526 -0.546 . . . . 2.62 109.526 176.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.82 HD13 ' HA ' ' A' ' 72' ' ' ALA . 60.2 mt -68.2 -68.33 0.4 Allowed 'General case' 0 C--O 1.239 0.546 0 O-C-N 123.322 0.389 . . . . 1.67 110.355 -175.217 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 29.0 mmtp 75.59 -44.92 0.53 Allowed 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.339 1.056 . . . . 3.58 113.491 177.172 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.423 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 29.8 p -111.97 156.94 21.32 Favored 'General case' 0 N--CA 1.392 -3.359 0 CA-C-O 121.587 0.708 . . . . 1.09 112.316 -175.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.706 HG11 HG13 ' A' ' 26' ' ' VAL . 2.9 m -62.37 -27.86 43.5 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.861 0 CA-C-N 114.174 -1.376 . . . . 1.15 111.568 175.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -77.81 -38.54 27.04 Favored Glycine 0 N--CA 1.434 -1.437 0 C-N-CA 120.862 -0.685 . . . . 0.36 111.855 177.621 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.468 ' OD1' ' HA ' ' A' ' 66' ' ' LEU . 8.4 t70 -76.99 -30.19 55.82 Favored 'General case' 0 CA--C 1.512 -0.505 0 N-CA-C 109.529 -0.545 . . . . 1.79 109.529 -177.661 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.82 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -56.82 -56.49 20.87 Favored 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 107.997 -1.112 . . . . 1.08 107.997 173.405 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.51 ' HA ' HG22 ' A' ' 7' ' ' ILE . 86.5 m -48.39 -53.99 15.64 Favored 'General case' 0 C--O 1.176 -2.768 0 CA-C-N 115.173 -0.921 . . . . 1.15 111.228 169.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 58.5 tptt -48.85 -35.15 13.96 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.637 0.775 . . . . 3.35 112.206 178.341 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -72.75 -55.51 6.64 Favored 'General case' 0 C--O 1.212 -0.889 0 N-CA-C 108.112 -1.07 . . . . 1.19 108.112 178.572 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.521 HG23 ' NE2' ' A' ' 80' ' ' GLN . 68.0 mt -59.94 -50.15 81.23 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.65 0 C-N-CA 124.69 1.196 . . . . 1.07 111.131 -178.002 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 58.3 tp -48.45 -36.65 15.37 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.4 1.48 . . . . 1.76 110.894 178.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -88.31 -52.44 5.21 Favored 'General case' 0 C--N 1.3 -1.557 0 CA-C-N 115.134 -0.939 . . . . 0.67 111.025 -179.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 28.9 m-70 -78.8 5.92 10.24 Favored 'General case' 0 C--N 1.306 -1.295 0 C-N-CA 125.689 1.596 . . . . 1.87 114.298 -173.037 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLN . . . . . 0.521 ' NE2' HG23 ' A' ' 76' ' ' ILE . 77.8 mm-40 -31.98 112.06 0.1 Allowed 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 115.599 1.703 . . . . 1.31 115.599 -179.618 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.198 0 C-N-CA 126.628 1.971 . . . . 2.36 114.554 173.124 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.446 ' HA ' ' HG3' ' A' ' 80' ' ' GLN . . . . . . . . 0 CA--C 1.506 -0.734 0 N-CA-C 109.093 -0.706 . . . . 2.5 109.093 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -127.63 174.31 9.18 Favored 'General case' 0 N--CA 1.43 -1.44 0 N-CA-C 108.196 -1.039 . . . . 1.39 108.196 178.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.622 ' O ' HG13 ' A' ' 7' ' ' ILE . 0.5 OUTLIER -83.26 122.75 28.83 Favored 'General case' 0 C--N 1.283 -2.308 0 N-CA-C 107.556 -1.275 . . . . 1.6 107.556 -178.139 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -52.85 -41.1 63.95 Favored 'General case' 0 N--CA 1.489 1.518 0 CA-C-O 121.596 0.713 . . . . 1.66 111.545 -173.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -72.01 -27.83 62.99 Favored 'General case' 0 C--N 1.296 -1.728 0 CA-C-N 114.872 -1.058 . . . . 2.3 110.399 -176.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.507 ' HB3' ' O ' ' A' ' 3' ' ' THR . 40.9 tt0 -75.03 -36.03 61.91 Favored 'General case' 0 C--N 1.305 -1.359 0 N-CA-C 108.201 -1.037 . . . . 1.92 108.201 177.605 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.622 HG13 ' O ' ' A' ' 3' ' ' THR . 29.8 mt -64.07 -56.48 16.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 107.73 -1.211 . . . . 1.08 107.73 176.129 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.579 ' HA ' HD12 ' A' ' 11' ' ' LEU . 93.7 t -53.75 -40.85 45.12 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.993 0 CA-C-N 115.481 -0.781 . . . . 1.1 110.795 176.485 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.93 -32.01 72.97 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.958 0.409 . . . . 1.08 111.194 177.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.38 -37.45 90.4 Favored Glycine 0 C--O 1.215 -1.078 0 N-CA-C 110.451 -1.06 . . . . 0.31 110.451 176.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.579 HD12 ' HA ' ' A' ' 8' ' ' VAL . 63.8 mt -65.87 -50.38 64.72 Favored 'General case' 0 C--N 1.31 -1.137 0 N-CA-C 108.278 -1.008 . . . . 1.02 108.278 175.426 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.489 ' HA ' HG22 ' A' ' 26' ' ' VAL . . . -51.93 -45.94 64.5 Favored 'General case' 0 C--N 1.318 -0.786 0 C-N-CA 125.108 1.363 . . . . 1.08 113.091 -178.247 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -66.34 -26.2 67.18 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 113.065 0.765 . . . . 1.46 113.065 -177.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.485 HD11 ' HG2' ' A' ' 53' ' ' ARG . 85.7 mt -85.78 -42.47 16.05 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.754 0 N-CA-C 108.84 -0.8 . . . . 1.16 108.84 179.205 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.405 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 78.3 t -62.07 -40.62 88.09 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.996 0 CA-C-N 115.466 -0.788 . . . . 1.1 110.937 178.78 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.5 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 5.8 t-20 -61.51 -33.33 73.62 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 121.02 0.438 . . . . 0.64 110.542 179.492 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -79.84 -61.99 1.82 Allowed 'General case' 0 C--N 1.305 -1.33 0 CA-C-N 115.099 -0.955 . . . . 2.0 110.795 -177.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.548 HG22 ' HB2' ' A' ' 45' ' ' GLU . 87.6 mt -76.98 -52.73 16.22 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.043 0 CA-C-N 115.304 -0.862 . . . . 1.1 112.922 -172.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.582 ' HB3' HG12 ' A' ' 38' ' ' VAL . . . -74.05 -42.11 60.73 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-O 121.529 0.68 . . . . 0.93 109.334 -179.441 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 92.27 28.18 13.83 Favored Glycine 0 N--CA 1.436 -1.345 0 CA-C-N 114.828 -1.078 . . . . 0.46 110.747 -177.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.5 ' O ' ' HA ' ' A' ' 16' ' ' ASN . 49.5 mm -111.69 131.24 22.47 Favored Pre-proline 0 C--N 1.311 -1.066 0 N-CA-C 108.316 -0.994 . . . . 1.2 108.316 -179.175 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.462 ' HD2' ' HA ' ' A' ' 21' ' ' ILE . 4.5 Cg_exo -33.11 129.72 0.12 Allowed 'Trans proline' 0 C--N 1.356 0.967 1 C-N-CA 125.601 4.201 . . . . 0.47 115.486 176.874 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 66.3 t -56.19 -39.05 57.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 N-CA-C 107.174 -1.417 . . . . 1.4 107.174 176.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.515 ' O ' ' HE3' ' A' ' 27' ' ' LYS . 29.6 mm-40 -78.17 -19.95 52.92 Favored 'General case' 0 N--CA 1.412 -2.367 0 CA-C-N 113.118 -1.855 . . . . 2.34 113.224 -173.733 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -91.4 -0.52 57.65 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-O 122.652 1.215 . . . . 0.69 109.445 -179.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.621 HG12 HG11 ' A' ' 69' ' ' VAL . 41.3 t -80.75 80.64 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.42 -1.935 0 CA-C-O 123.156 1.455 . . . . 1.17 107.493 172.716 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.515 ' HE3' ' O ' ' A' ' 24' ' ' GLU . 26.1 mmtp -81.56 -146.01 0.06 Allowed 'General case' 0 C--N 1.308 -1.199 0 CA-C-N 111.806 -2.452 . . . . 2.23 107.942 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.451 ' HA ' HG21 ' A' ' 69' ' ' VAL . 4.9 tt -122.2 -17.35 7.19 Favored 'General case' 0 C--N 1.304 -1.376 0 C-N-CA 119.275 -0.97 . . . . 1.7 111.523 -179.529 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -87.64 -11.77 47.47 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-O 122.288 1.042 . . . . 2.11 109.625 176.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.661 ' O ' HG22 ' A' ' 69' ' ' VAL . 70.8 mmtt -70.21 114.14 8.06 Favored 'General case' 0 C--N 1.3 -1.568 0 CA-C-N 114.582 -1.19 . . . . 1.65 113.465 -172.194 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.616 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 5.2 p -81.51 109.62 16.14 Favored 'General case' 0 N--CA 1.392 -3.358 0 N-CA-C 107.606 -1.257 . . . . 1.66 107.606 171.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.655 ' HA ' HD11 ' A' ' 36' ' ' LEU . 64.9 m-85 -29.81 -86.57 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.314 0 N-CA-C 114.154 1.168 . . . . 0.61 114.154 176.64 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.5 HG21 ' HB ' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -76.63 40.78 0.24 Allowed 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 114.326 1.232 . . . . 1.08 114.326 178.295 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -150.43 -68.22 0.19 Allowed 'General case' 0 C--N 1.316 -0.882 0 O-C-N 121.764 -0.585 . . . . 0.73 112.461 179.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -80.32 -44.1 20.09 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 108.917 -0.771 . . . . 1.46 108.917 -178.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.655 HD11 ' HA ' ' A' ' 32' ' ' PHE . 95.8 mt -72.07 -46.85 55.3 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 108.638 -0.875 . . . . 1.12 108.638 177.416 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.5 t70 74.35 85.67 0.1 Allowed 'General case' 0 CA--C 1.516 -0.358 0 C-N-CA 125.414 1.486 . . . . 1.14 110.924 178.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.582 HG12 ' HB3' ' A' ' 19' ' ' ALA . 89.1 t -87.72 -90.03 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.305 -1.345 0 CA-C-N 113.97 -1.468 . . . . 2.39 109.997 -176.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 16.5 t70 170.91 167.64 0.07 Allowed 'General case' 0 CA--C 1.49 -1.346 0 N-CA-C 103.121 -2.918 . . . . 0.79 103.121 -177.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 31.5 t -87.69 -39.78 14.7 Favored 'General case' 0 C--N 1.253 -3.608 0 CA-C-O 121.941 0.877 . . . . 1.37 108.683 -173.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 28.1 mt -87.03 -30.94 20.82 Favored 'General case' 0 C--N 1.297 -1.695 0 CA-C-N 114.963 -1.017 . . . . 1.58 109.953 -173.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.436 ' HB3' HG21 ' A' ' 18' ' ' ILE . 31.5 m -72.1 -24.62 61.52 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-O 121.426 0.631 . . . . 1.26 109.537 177.282 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.602 ' HE3' ' HB3' ' A' ' 32' ' ' PHE . 32.5 tpp -59.0 -44.18 91.61 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 115.557 -0.747 . . . . 1.22 111.225 179.302 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 39.6 t -66.01 -23.54 32.3 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 CA-C-N 115.612 -0.722 . . . . 1.25 111.218 -176.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.548 ' HB2' HG22 ' A' ' 18' ' ' ILE . 37.8 mt-10 -74.95 -35.44 62.14 Favored 'General case' 0 N--CA 1.439 -1.0 0 N-CA-C 109.195 -0.668 . . . . 2.08 109.195 178.322 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.405 ' HA ' HG23 ' A' ' 14' ' ' ILE . 62.6 t -63.12 -47.27 93.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 108.245 -1.021 . . . . 1.21 108.245 177.03 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.585 HG22 HG13 ' A' ' 63' ' ' VAL . 31.9 t -58.36 -57.77 9.45 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.335 -0.848 . . . . 1.1 110.735 179.022 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.531 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 2.1 p -56.0 -41.11 66.86 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 CA-C-O 121.571 0.7 . . . . 1.36 111.626 -177.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.39 -35.18 73.32 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 115.503 -0.771 . . . . 1.13 111.167 178.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.2 -34.12 73.18 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 122.88 0.472 . . . . 1.14 111.279 -179.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.532 ' HG2' ' H ' ' A' ' 58' ' ' ILE . 39.2 mt-10 -56.26 -42.62 77.71 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.433 0.635 . . . . 1.36 110.653 179.381 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -83.35 -35.88 24.82 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-N 116.022 -0.535 . . . . 2.09 111.398 178.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.485 ' HG2' HD11 ' A' ' 14' ' ' ILE . 6.8 tpm_? -67.1 -37.43 83.92 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.788 -0.642 . . . . 3.27 111.378 -174.054 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.49 ' CD2' HG23 ' A' ' 76' ' ' ILE . 69.3 m-85 -101.73 -11.85 18.81 Favored 'General case' 0 C--N 1.291 -1.97 0 CA-C-N 115.382 -0.826 . . . . 1.11 111.47 -176.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 59.82 70.41 0.64 Allowed 'General case' 0 CA--C 1.505 -0.771 0 CA-C-O 121.774 0.797 . . . . 2.02 110.019 -173.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 14.9 p -160.48 178.74 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.296 -1.748 0 N-CA-C 106.066 -1.827 . . . . 1.87 106.066 -177.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 45.6 tptt -129.93 99.35 5.07 Favored 'General case' 0 C--N 1.292 -1.925 0 CA-C-N 119.22 0.918 . . . . 2.26 108.761 179.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.532 ' H ' ' HG2' ' A' ' 51' ' ' GLU . 19.8 mt -112.5 104.53 55.99 Favored Pre-proline 0 C--N 1.313 -0.995 0 N-CA-C 107.76 -1.2 . . . . 1.23 107.76 -179.158 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -78.41 144.47 20.35 Favored 'Trans proline' 0 N--CA 1.44 -1.676 0 C-N-CA 121.702 1.602 . . . . 0.76 112.005 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.502 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 7.0 t70 -53.1 -29.73 32.29 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.614 0.766 . . . . 2.0 111.705 176.666 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -50.98 -59.03 4.59 Favored 'General case' 0 C--N 1.308 -1.221 0 CA-C-N 115.246 -0.888 . . . . 2.09 111.468 176.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -87.52 -23.03 24.53 Favored 'General case' 0 C--N 1.316 -0.891 0 N-CA-C 112.742 0.645 . . . . 1.58 112.742 -176.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.585 HG13 HG22 ' A' ' 47' ' ' VAL . 2.0 p -57.72 -23.19 19.82 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 CA-C-O 121.228 0.537 . . . . 1.39 111.607 -176.148 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.511 ' HG2' ' S1 ' ' A' ' 101' ' ' SHW . 58.7 mttm -66.33 -12.97 59.72 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 115.655 -0.702 . . . . 2.97 111.431 -178.3 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -96.86 -5.86 37.24 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.199 -0.455 . . . . 2.62 110.954 -179.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.646 HD13 ' HA ' ' A' ' 72' ' ' ALA . 87.2 mt -75.17 -52.1 11.78 Favored 'General case' 0 C--O 1.214 -0.814 0 C-N-CA 120.726 -0.39 . . . . 1.67 110.373 -179.437 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . 0.446 0.1 OUTLIER 59.02 -28.57 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 117.865 2.542 . . . . 3.58 117.865 176.13 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.616 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 75.4 p -125.78 171.11 10.93 Favored 'General case' 0 C--N 1.297 -1.701 0 O-C-N 121.513 -0.742 . . . . 1.09 110.813 176.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.661 HG22 ' O ' ' A' ' 30' ' ' LYS . 3.3 m -69.03 -40.79 81.24 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.71 0 CA-C-N 114.597 -1.183 . . . . 1.15 110.136 173.09 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -66.42 -41.0 94.63 Favored Glycine 0 N--CA 1.44 -1.088 0 CA-C-N 115.997 -0.547 . . . . 0.36 112.438 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.415 ' HB2' ' O ' ' A' ' 66' ' ' LEU . 33.1 m-20 -78.44 -26.05 46.14 Favored 'General case' 0 C--N 1.309 -1.166 0 C-N-CA 120.242 -0.583 . . . . 1.79 111.64 179.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.646 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -62.53 -53.14 59.16 Favored 'General case' 0 CA--C 1.515 -0.381 0 N-CA-C 108.154 -1.054 . . . . 1.08 108.154 172.505 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.424 ' HA ' HG23 ' A' ' 7' ' ' ILE . 88.2 m -48.71 -45.43 39.34 Favored 'General case' 0 C--O 1.192 -1.942 0 CA-C-N 115.021 -0.991 . . . . 1.15 111.489 172.323 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -52.03 -39.43 59.53 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 118.248 0.476 . . . . 3.35 112.06 177.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.483 ' HB2' HD22 ' A' ' 66' ' ' LEU . 49.5 t80 -72.15 -52.63 15.72 Favored 'General case' 0 C--O 1.195 -1.802 0 N-CA-C 107.974 -1.121 . . . . 1.19 107.974 -178.068 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.518 HG12 HD13 ' A' ' 58' ' ' ILE . 58.7 mt -62.31 -51.02 77.42 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.683 0 C-N-CA 124.102 0.961 . . . . 1.07 110.866 -177.148 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.471 ' HA ' HE21 ' A' ' 80' ' ' GLN . 61.0 tp -54.7 -35.24 63.4 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 122.963 0.505 . . . . 1.76 111.308 -179.586 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -89.32 -32.38 17.37 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-O 121.603 0.716 . . . . 0.67 111.631 -178.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 25.1 m-70 -93.63 5.24 52.28 Favored 'General case' 0 C--N 1.314 -0.943 0 C-N-CA 124.209 1.003 . . . . 1.87 113.125 -176.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.471 HE21 ' HA ' ' A' ' 77' ' ' LEU . 84.9 mm-40 -41.69 134.4 2.49 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 124.35 1.06 . . . . 1.31 111.337 175.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.526 0 N-CA-C 109.506 -0.553 . . . . 2.36 109.506 -178.734 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' SHW . . . . . 0.511 ' S1 ' ' HG2' ' A' ' 64' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.416 ' HA ' ' HG3' ' A' ' 80' ' ' GLN . . . . . . . . 0 CA--C 1.508 -0.671 0 N-CA-C 108.796 -0.816 . . . . 2.5 108.796 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -116.95 173.88 6.41 Favored 'General case' 0 C--N 1.308 -1.207 0 N-CA-C 108.286 -1.005 . . . . 1.39 108.286 178.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.493 ' O ' HG13 ' A' ' 7' ' ' ILE . 1.3 p -77.61 122.26 25.06 Favored 'General case' 0 N--CA 1.414 -2.24 0 N-CA-C 107.397 -1.334 . . . . 1.6 107.397 175.751 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.504 ' HA ' HD12 ' A' ' 7' ' ' ILE . 24.7 mt-30 -54.46 -29.35 49.49 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-O 121.854 0.835 . . . . 1.66 110.354 -177.599 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -65.14 -41.09 95.1 Favored 'General case' 0 C--N 1.305 -1.354 0 CA-C-N 114.223 -1.353 . . . . 2.3 109.817 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -71.6 -30.89 66.32 Favored 'General case' 0 C--O 1.216 -0.683 0 N-CA-C 108.934 -0.765 . . . . 1.92 108.934 -178.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.517 HG23 ' HA ' ' A' ' 73' ' ' THR . 31.2 mt -68.6 -57.48 8.8 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.639 0 N-CA-C 108.236 -1.024 . . . . 1.08 108.236 178.643 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.718 HG21 HD11 ' A' ' 28' ' ' LEU . 54.4 t -56.56 -42.35 75.66 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.028 0 CA-C-N 116.085 -0.507 . . . . 1.1 111.363 176.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.64 -34.03 76.96 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 120.879 0.371 . . . . 1.08 110.578 177.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.78 -42.67 92.95 Favored Glycine 0 CA--C 1.492 -1.368 0 N-CA-C 110.054 -1.218 . . . . 0.31 110.054 176.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.546 ' O ' HG22 ' A' ' 15' ' ' VAL . 96.2 mt -60.29 -49.33 78.01 Favored 'General case' 0 C--N 1.309 -1.173 0 N-CA-C 109.226 -0.657 . . . . 1.02 109.226 174.68 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.431 ' HA ' HG23 ' A' ' 26' ' ' VAL . . . -52.42 -48.42 65.76 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 124.042 0.937 . . . . 1.08 111.975 -179.608 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -62.5 -39.0 92.11 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.842 0.354 . . . . 1.46 111.85 -178.291 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.581 HG21 HG22 ' A' ' 46' ' ' VAL . 95.2 mt -65.39 -50.67 71.45 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.17 0 CA-C-N 115.546 -0.752 . . . . 1.16 109.534 177.069 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.546 HG22 ' O ' ' A' ' 11' ' ' LEU . 86.7 t -55.91 -49.82 72.76 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.883 0 CA-C-N 116.032 -0.531 . . . . 1.1 110.148 179.283 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.477 ' HB2' ' HB ' ' A' ' 23' ' ' VAL . 2.9 t-20 -61.11 -31.23 70.93 Favored 'General case' 0 C--N 1.304 -1.403 0 CA-C-O 121.339 0.59 . . . . 0.64 110.892 -177.825 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -83.5 -42.91 16.34 Favored 'General case' 0 CA--C 1.557 1.249 0 CA-C-N 115.56 -0.746 . . . . 2.0 112.442 -177.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 91.1 mt -94.35 -53.33 8.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 CA-C-O 121.3 0.571 . . . . 1.1 111.43 -177.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.566 ' HA ' HG23 ' A' ' 38' ' ' VAL . . . -75.06 -34.22 61.79 Favored 'General case' 0 C--N 1.306 -1.303 0 CA-C-O 121.357 0.599 . . . . 0.93 110.257 -176.651 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.74 8.81 83.95 Favored Glycine 0 N--CA 1.448 -0.501 0 N-CA-C 111.139 -0.784 . . . . 0.46 111.139 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.452 HG21 ' HB3' ' A' ' 36' ' ' LEU . 48.3 mm -85.86 138.78 35.1 Favored Pre-proline 0 C--N 1.306 -1.315 0 N-CA-C 108.176 -1.046 . . . . 1.2 108.176 -179.235 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 21' ' ' ILE . 7.6 Cg_exo -33.07 119.78 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.104 0 C-N-CA 125.173 3.915 . . . . 0.47 114.083 174.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.477 ' HB ' ' HB2' ' A' ' 16' ' ' ASN . 12.4 p -68.47 -13.41 17.07 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-O 123.074 1.416 . . . . 1.4 109.802 -178.505 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -97.76 -18.04 19.03 Favored 'General case' 0 C--N 1.28 -2.445 0 CA-C-N 113.163 -1.835 . . . . 2.34 110.932 -177.084 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.613 ' O ' ' HE3' ' A' ' 30' ' ' LYS . 13.9 t70 -90.9 -2.93 57.68 Favored 'General case' 0 C--O 1.214 -0.794 0 CA-C-O 122.193 0.997 . . . . 0.69 108.917 -176.317 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.431 HG23 ' HA ' ' A' ' 12' ' ' ALA . 99.5 t -77.75 73.37 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.5 0 CA-C-O 122.671 1.224 . . . . 1.17 109.122 178.246 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.767 ' O ' HG21 ' A' ' 69' ' ' VAL . 81.2 mttt -91.57 -175.48 4.21 Favored 'General case' 0 C--O 1.199 -1.565 0 N-CA-C 105.998 -1.853 . . . . 2.23 105.998 176.252 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.718 HD11 HG21 ' A' ' 8' ' ' VAL . 10.5 mp -90.25 1.78 56.13 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 115.269 1.581 . . . . 1.7 115.269 -175.625 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -102.35 7.29 40.55 Favored 'General case' 0 C--N 1.298 -1.655 0 CA-C-O 122.897 1.332 . . . . 2.11 108.809 179.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.613 ' HE3' ' O ' ' A' ' 25' ' ' ASP . 70.2 mmtt -85.93 114.31 22.74 Favored 'General case' 0 C--N 1.308 -1.222 0 CA-C-N 114.408 -1.269 . . . . 1.65 113.087 -175.499 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.415 ' HA ' HG23 ' A' ' 68' ' ' THR . 19.3 m -91.26 27.48 1.9 Allowed 'General case' 0 C--N 1.303 -1.441 0 C-N-CA 123.504 0.722 . . . . 1.66 112.212 178.656 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.617 ' HA ' HD12 ' A' ' 36' ' ' LEU . 71.7 m-85 57.53 -109.75 0.5 Allowed 'General case' 0 N--CA 1.462 0.138 0 N-CA-C 113.989 1.107 . . . . 0.61 113.989 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -74.71 68.38 1.68 Allowed 'General case' 0 C--N 1.315 -0.921 0 CA-C-O 121.91 0.862 . . . . 1.08 111.686 179.178 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -172.91 -59.37 0.02 OUTLIER 'General case' 0 C--N 1.311 -1.108 0 CA-C-N 114.088 -1.415 . . . . 0.73 107.778 -177.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -93.54 -50.6 5.34 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.261 -0.882 . . . . 1.46 109.103 -178.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.617 HD12 ' HA ' ' A' ' 32' ' ' PHE . 87.2 mt -71.05 -53.23 15.42 Favored 'General case' 0 C--O 1.219 -0.55 0 N-CA-C 108.31 -0.996 . . . . 1.12 108.31 177.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.5 t70 67.99 95.9 0.06 Allowed 'General case' 0 CA--C 1.505 -0.753 0 CA-C-N 114.71 -1.132 . . . . 1.14 112.165 175.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.586 HG13 ' H ' ' A' ' 39' ' ' ASP . 2.8 p -119.48 -88.3 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.413 -2.278 0 CA-C-N 115.233 -0.894 . . . . 2.39 113.178 179.251 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.586 ' H ' HG13 ' A' ' 38' ' ' VAL . 9.0 t70 -166.46 -174.69 2.93 Favored 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 105.931 -1.878 . . . . 0.79 105.931 -172.129 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 41.3 t -93.79 -38.0 11.49 Favored 'General case' 0 C--N 1.277 -2.551 0 C-N-CA 123.575 0.75 . . . . 1.37 109.233 -177.358 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 76.6 mt -73.53 -37.34 65.66 Favored 'General case' 0 C--N 1.307 -1.271 0 CA-C-N 115.184 -0.916 . . . . 1.58 110.171 -173.33 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.2 m -74.2 -15.32 61.01 Favored 'General case' 0 N--CA 1.433 -1.317 0 CA-C-N 114.881 -1.054 . . . . 1.26 110.367 -179.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.592 ' HE2' ' HB3' ' A' ' 32' ' ' PHE . 31.1 tpp -81.05 -44.55 17.87 Favored 'General case' 0 N--CA 1.427 -1.589 0 CA-C-N 115.766 -0.652 . . . . 1.22 109.529 179.295 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 58.3 t -63.65 -41.11 91.5 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.336 0 N-CA-C 109.186 -0.672 . . . . 1.25 109.186 179.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -73.8 -29.88 62.42 Favored 'General case' 0 N--CA 1.425 -1.687 0 C-N-CA 120.437 -0.505 . . . . 2.08 112.054 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.773 HG13 ' H7 ' ' A' ' 101' ' ' SHW . 4.7 p -68.65 -36.37 74.17 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 N-CA-C 109.329 -0.619 . . . . 1.21 109.329 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.521 HG22 ' O ' ' A' ' 43' ' ' MET . 86.8 t -62.0 -63.17 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-N 114.645 -1.162 . . . . 1.1 108.557 173.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 90.4 t -49.04 -46.7 17.23 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.205 0 CA-C-N 115.831 -0.622 . . . . 1.36 112.521 177.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.89 -33.96 77.03 Favored 'General case' 0 C--N 1.315 -0.925 0 O-C-N 121.892 -0.505 . . . . 1.13 112.021 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.85 -38.54 91.22 Favored 'General case' 0 C--O 1.244 0.774 0 N-CA-C 109.609 -0.515 . . . . 1.14 109.609 178.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.597 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 34.6 mt-10 -59.16 -47.43 85.32 Favored 'General case' 0 C--O 1.202 -1.417 0 CA-C-N 115.37 -0.832 . . . . 1.36 109.356 178.304 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -75.45 -28.23 59.22 Favored 'General case' 0 C--N 1.301 -1.538 0 CA-C-N 114.839 -1.073 . . . . 2.09 111.683 -175.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.5 tpm_? -74.53 -43.09 57.46 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.722 0.772 . . . . 3.27 109.815 -178.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.491 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 43.3 m-85 -101.28 -2.61 30.68 Favored 'General case' 0 C--N 1.305 -1.357 0 CA-C-N 115.303 -0.862 . . . . 1.11 111.55 -175.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.6 t70 70.84 -0.22 3.09 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 125.727 1.611 . . . . 2.02 111.584 178.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.597 ' O ' ' HA ' ' A' ' 51' ' ' GLU . 3.2 p -100.61 115.26 41.72 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-N 115.68 -0.691 . . . . 1.87 110.062 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.434 ' HZ3' ' CD ' ' A' ' 51' ' ' GLU . 31.2 mmmt -64.05 102.13 0.46 Allowed 'General case' 0 C--N 1.3 -1.544 0 CA-C-N 115.354 -0.839 . . . . 2.26 111.56 178.773 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.596 ' H ' ' HG2' ' A' ' 51' ' ' GLU . 50.7 mt -99.25 100.71 10.84 Favored Pre-proline 0 C--N 1.296 -1.72 0 N-CA-C 106.394 -1.706 . . . . 1.23 106.394 175.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.551 ' HD2' ' HB2' ' A' ' 62' ' ' ASP . 14.8 Cg_exo -66.74 147.51 81.35 Favored 'Trans proline' 0 N--CA 1.439 -1.705 0 C-N-CA 121.696 1.597 . . . . 0.76 111.766 -176.686 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.471 ' O ' HG11 ' A' ' 63' ' ' VAL . 3.7 p30 -58.92 -21.11 57.29 Favored 'General case' 0 C--O 1.213 -0.844 0 C-N-CA 123.444 0.698 . . . . 2.0 110.627 175.191 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.428 ' HA ' ' HE3' ' A' ' 64' ' ' LYS . 17.6 t70 -83.36 -35.22 25.31 Favored 'General case' 0 C--N 1.313 -0.979 0 C-N-CA 120.672 -0.411 . . . . 2.09 111.36 178.118 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.551 ' HB2' ' HD2' ' A' ' 59' ' ' PRO . 4.7 m-20 -78.44 -31.86 48.27 Favored 'General case' 0 CA--C 1.48 -1.723 0 O-C-N 122.12 -0.363 . . . . 1.58 111.3 177.016 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.499 HG22 HG23 ' A' ' 47' ' ' VAL . 2.5 p -59.83 -22.52 24.12 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.147 0 CA-C-O 121.605 0.717 . . . . 1.39 110.925 -178.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.492 ' HA ' ' O1 ' ' A' ' 101' ' ' SHW . 94.1 mttt -61.84 -33.52 74.31 Favored 'General case' 0 N--CA 1.439 -0.98 0 CA-C-N 114.466 -1.243 . . . . 2.97 112.18 179.161 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 9.7 p-10 -88.54 -9.72 51.35 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 119.286 -0.966 . . . . 2.62 110.193 -178.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.82 HD13 ' HA ' ' A' ' 72' ' ' ALA . 51.0 mt -80.31 -61.96 1.82 Allowed 'General case' 0 N--CA 1.437 -1.108 0 N-CA-C 107.795 -1.187 . . . . 1.67 107.795 178.65 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.776 ' HE2' ' H3 ' ' A' ' 101' ' ' SHW . 0.0 OUTLIER 69.14 -35.36 0.3 Allowed 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.184 1.393 . . . . 3.58 114.303 178.275 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.415 HG23 ' HA ' ' A' ' 31' ' ' SER . 36.9 p -114.21 169.79 8.76 Favored 'General case' 0 C--N 1.301 -1.536 0 CA-C-O 121.583 0.706 . . . . 1.09 112.578 -178.103 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.767 HG21 ' O ' ' A' ' 27' ' ' LYS . 3.4 m -61.93 -44.66 99.2 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.111 0 CA-C-N 113.895 -1.502 . . . . 1.15 109.438 171.59 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.435 ' H ' HG22 ' A' ' 69' ' ' VAL . . . -61.5 -49.35 77.9 Favored Glycine 0 N--CA 1.434 -1.497 0 CA-C-N 115.144 -0.935 . . . . 0.36 112.188 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.415 ' HA ' ' HB3' ' A' ' 74' ' ' LYS . 0.9 OUTLIER -69.36 -29.26 67.01 Favored 'General case' 0 CA--C 1.509 -0.627 0 CA-C-N 117.396 0.598 . . . . 1.79 111.967 178.434 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.82 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -60.94 -59.29 5.61 Favored 'General case' 0 C--O 1.222 -0.363 0 N-CA-C 108.463 -0.94 . . . . 1.08 108.463 174.529 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.517 ' HA ' HG23 ' A' ' 7' ' ' ILE . 76.7 m -48.31 -48.35 36.06 Favored 'General case' 0 C--O 1.189 -2.103 0 C-N-CA 123.938 0.895 . . . . 1.15 111.835 173.411 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.415 ' HB3' ' HA ' ' A' ' 71' ' ' ASP . 84.5 tttt -51.83 -42.74 62.79 Favored 'General case' 0 C--N 1.307 -1.257 0 C-N-CA 125.424 1.489 . . . . 3.35 111.319 177.118 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 57.8 t80 -70.08 -47.43 61.96 Favored 'General case' 0 C--O 1.212 -0.872 0 N-CA-C 108.854 -0.795 . . . . 1.19 108.854 179.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.535 HG12 HD12 ' A' ' 58' ' ' ILE . 67.7 mt -63.66 -45.83 96.39 Favored 'Isoleucine or valine' 0 C--O 1.194 -1.838 0 CA-C-N 114.983 -1.008 . . . . 1.07 110.532 -178.161 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 48.4 tp -57.36 -32.27 66.58 Favored 'General case' 0 C--N 1.313 -1.004 0 C-N-CA 123.826 0.85 . . . . 1.76 110.633 179.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -88.23 -36.21 16.88 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 121.687 0.756 . . . . 0.67 111.447 179.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.489 ' HB3' HG23 ' A' ' 56' ' ' VAL . 15.9 m-70 -92.46 5.35 51.1 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 114.033 1.123 . . . . 1.87 114.033 -175.199 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.447 ' NE2' HG23 ' A' ' 76' ' ' ILE . 79.8 mm-40 -33.49 130.69 0.25 Allowed 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 125.976 1.711 . . . . 1.31 114.716 178.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.482 0 N-CA-C 107.873 -1.158 . . . . 2.36 107.873 179.187 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' SHW . . . . . 0.776 ' H3 ' ' HE2' ' A' ' 67' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.513 -0.473 0 N-CA-C 109.126 -0.694 . . . . 2.5 109.126 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -135.52 -170.82 2.69 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 108.359 -0.978 . . . . 1.39 108.359 177.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.439 ' O ' HG13 ' A' ' 7' ' ' ILE . 19.1 p -90.11 122.22 32.89 Favored 'General case' 0 C--N 1.292 -1.907 0 N-CA-C 108.188 -1.042 . . . . 1.6 108.188 177.213 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -43.51 -37.67 2.55 Favored 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 114.144 1.164 . . . . 1.66 114.144 -176.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -69.03 -31.0 69.47 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 111.68 0.252 . . . . 2.3 111.68 -178.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.6 tp10 -73.8 -34.1 64.49 Favored 'General case' 0 C--N 1.314 -0.976 0 N-CA-C 108.362 -0.977 . . . . 1.92 108.362 -179.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.449 ' HB ' HG23 ' A' ' 73' ' ' THR . 18.3 mt -67.76 -56.4 13.23 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.382 0 CA-C-N 114.6 -1.182 . . . . 1.08 108.307 179.019 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.763 HG21 HD11 ' A' ' 28' ' ' LEU . 57.5 t -54.16 -41.04 49.4 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.017 0 CA-C-N 115.99 -0.55 . . . . 1.1 111.103 176.222 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.58 -33.64 76.38 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-O 121.163 0.506 . . . . 1.08 110.245 177.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.06 -43.48 90.5 Favored Glycine 0 N--CA 1.436 -1.314 0 N-CA-C 110.108 -1.197 . . . . 0.31 110.108 176.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.465 ' O ' HG21 ' A' ' 15' ' ' VAL . 96.6 mt -59.63 -48.44 81.64 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 109.161 -0.681 . . . . 1.02 109.161 176.111 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.34 -44.06 71.78 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 114.835 -1.075 . . . . 1.08 112.258 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -68.25 -37.71 81.04 Favored 'General case' 0 CA--C 1.517 -0.326 0 C-N-CA 119.953 -0.699 . . . . 1.46 111.941 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 95.4 mt -62.86 -49.18 84.68 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.186 0 N-CA-C 109.161 -0.681 . . . . 1.16 109.161 176.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.465 HG21 ' O ' ' A' ' 11' ' ' LEU . 96.5 t -57.9 -48.96 82.67 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.263 0 CA-C-N 115.718 -0.673 . . . . 1.1 110.184 178.025 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -63.53 -32.59 74.09 Favored 'General case' 0 C--N 1.302 -1.498 0 CA-C-O 121.168 0.508 . . . . 0.64 111.509 -179.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -74.46 -44.56 51.07 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 115.885 -0.598 . . . . 2.0 110.725 -179.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.617 HG22 ' HB2' ' A' ' 45' ' ' GLU . 72.8 mt -98.24 -52.73 8.69 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 N-CA-C 113.049 0.759 . . . . 1.1 113.049 -173.381 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.668 ' HB1' HG11 ' A' ' 38' ' ' VAL . . . -74.89 -40.52 60.87 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 109.135 -0.691 . . . . 0.93 109.135 179.556 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.4 3.31 61.44 Favored Glycine 0 N--CA 1.451 -0.366 0 CA-C-N 115.046 -0.979 . . . . 0.46 111.14 -179.165 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.446 ' HA ' ' HD2' ' A' ' 22' ' ' PRO . 50.6 mm -81.8 137.31 47.26 Favored Pre-proline 0 C--N 1.311 -1.074 0 C-N-CA 123.641 0.776 . . . . 1.2 110.286 -176.477 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.446 ' HD2' ' HA ' ' A' ' 21' ' ' ILE . 6.3 Cg_exo -33.91 128.71 0.17 Allowed 'Trans proline' 0 C--N 1.359 1.103 1 C-N-CA 125.729 4.286 . . . . 0.47 115.426 175.137 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 66.5 t -57.45 -37.55 58.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 113.825 -1.534 . . . . 1.4 108.284 178.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.562 ' O ' ' HE2' ' A' ' 27' ' ' LYS . 9.3 pt-20 -97.83 11.05 38.57 Favored 'General case' 0 N--CA 1.41 -2.451 0 N-CA-C 114.915 1.45 . . . . 2.34 114.915 -176.371 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.516 ' O ' ' HE3' ' A' ' 30' ' ' LYS . 17.8 t70 -91.74 -12.87 32.7 Favored 'General case' 0 C--O 1.211 -0.95 0 N-CA-C 105.679 -1.971 . . . . 0.69 105.679 169.613 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 50.7 t -80.24 78.85 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.049 0 CA-C-N 113.64 -1.618 . . . . 1.17 109.34 179.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.717 ' O ' HG21 ' A' ' 69' ' ' VAL . 74.2 mmtt -92.91 -160.55 0.76 Allowed 'General case' 0 C--O 1.2 -1.507 0 N-CA-C 105.996 -1.853 . . . . 2.23 105.996 175.242 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.763 HD11 HG21 ' A' ' 8' ' ' VAL . 10.9 mp -104.71 10.85 34.56 Favored 'General case' 0 N--CA 1.485 1.288 0 CA-C-N 119.275 0.943 . . . . 1.7 112.624 179.461 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -110.64 13.8 22.45 Favored 'General case' 0 C--N 1.28 -2.427 0 N-CA-C 108.014 -1.106 . . . . 2.11 108.014 -179.235 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.585 ' O ' HG23 ' A' ' 69' ' ' VAL . 66.1 mmtt -105.62 118.65 37.13 Favored 'General case' 0 N--CA 1.423 -1.78 0 CA-C-N 114.449 -1.25 . . . . 1.65 114.223 -170.386 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.649 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 14.6 m -91.23 112.39 24.28 Favored 'General case' 0 N--CA 1.394 -3.246 0 N-CA-C 106.351 -1.722 . . . . 1.66 106.351 170.661 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.769 ' HA ' HD12 ' A' ' 36' ' ' LEU . 97.4 m-85 -34.57 -83.09 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.867 1.267 . . . . 0.61 113.911 177.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.544 HG22 ' HB ' ' A' ' 38' ' ' VAL . 0.7 OUTLIER -79.79 56.16 2.22 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 114.843 1.423 . . . . 1.08 114.843 177.569 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.649 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 14.3 t70 -158.51 -66.15 0.09 Allowed 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 114.768 -1.106 . . . . 0.73 110.166 177.127 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -90.99 -44.44 9.33 Favored 'General case' 0 CA--C 1.501 -0.913 0 CA-C-N 116.266 -0.425 . . . . 1.46 109.984 -175.126 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.769 HD12 ' HA ' ' A' ' 32' ' ' PHE . 96.6 mt -69.71 -40.02 76.53 Favored 'General case' 0 CA--C 1.511 -0.531 0 N-CA-C 109.225 -0.657 . . . . 1.12 109.225 178.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.7 t70 68.92 83.63 0.16 Allowed 'General case' 0 CA--C 1.509 -0.628 0 C-N-CA 124.897 1.279 . . . . 1.14 109.718 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.668 HG11 ' HB1' ' A' ' 19' ' ' ALA . 95.9 t -91.15 -89.33 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.298 -1.671 0 CA-C-N 114.222 -1.354 . . . . 2.39 109.671 -176.533 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.1 t70 164.59 177.95 0.02 OUTLIER 'General case' 0 CA--C 1.504 -0.809 0 N-CA-C 103.147 -2.909 . . . . 0.79 103.147 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.432 ' O ' HG21 ' A' ' 44' ' ' VAL . 23.9 t -93.91 -37.13 11.86 Favored 'General case' 0 C--N 1.27 -2.85 0 N-CA-C 109.14 -0.689 . . . . 1.37 109.14 -176.362 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 97.0 mt -78.5 -32.66 48.25 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 108.469 -0.938 . . . . 1.58 108.469 -177.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.535 ' OG ' HG21 ' A' ' 18' ' ' ILE . 24.7 t -70.94 -34.99 72.02 Favored 'General case' 0 N--CA 1.419 -1.976 0 CA-C-N 113.895 -1.502 . . . . 1.26 107.868 178.61 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.608 ' HE1' ' HB3' ' A' ' 32' ' ' PHE . 26.4 tpp -64.21 -43.38 95.19 Favored 'General case' 0 C--O 1.215 -0.732 0 CA-C-N 116.094 -0.503 . . . . 1.22 110.835 179.28 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.432 HG21 ' O ' ' A' ' 40' ' ' SER . 57.4 t -59.04 -37.72 69.62 Favored 'Isoleucine or valine' 0 C--O 1.236 0.379 0 N-CA-C 109.611 -0.515 . . . . 1.25 109.611 178.079 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.617 ' HB2' HG22 ' A' ' 18' ' ' ILE . 44.0 mt-10 -68.05 -43.45 78.65 Favored 'General case' 0 N--CA 1.433 -1.289 0 N-CA-C 109.631 -0.507 . . . . 2.08 109.631 177.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 42' ' ' SER . 99.3 t -56.28 -49.72 75.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 O-C-N 123.747 0.655 . . . . 1.21 109.641 177.591 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.61 HG11 HG21 ' A' ' 63' ' ' VAL . 76.8 t -51.88 -63.27 0.47 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.617 0 O-C-N 123.871 0.732 . . . . 1.1 110.075 176.641 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 92.3 t -53.32 -46.0 56.97 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.488 0 N-CA-C 112.346 0.498 . . . . 1.36 112.346 178.033 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.37 -32.63 74.32 Favored 'General case' 0 C--N 1.321 -0.643 0 O-C-N 121.96 -0.462 . . . . 1.13 112.054 -178.23 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.69 -39.59 89.07 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-O 120.98 0.419 . . . . 1.14 110.479 178.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.611 ' HG2' ' H ' ' A' ' 58' ' ' ILE . 41.7 mt-10 -63.79 -32.41 73.91 Favored 'General case' 0 C--O 1.202 -1.4 0 CA-C-N 115.461 -0.79 . . . . 1.36 110.454 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -83.27 -39.69 20.53 Favored 'General case' 0 C--N 1.292 -1.902 0 CA-C-O 121.577 0.703 . . . . 2.09 109.723 -177.019 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.3 tpm_? -68.55 -39.16 81.2 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.147 -0.933 . . . . 3.27 110.07 -175.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.476 ' CE2' HD12 ' A' ' 76' ' ' ILE . 48.2 m-85 -108.02 -1.42 20.54 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 115.455 -0.793 . . . . 1.11 112.261 -176.161 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.7 t70 72.58 -13.9 0.61 Allowed 'General case' 0 N--CA 1.497 1.883 0 C-N-CA 124.535 1.134 . . . . 2.02 113.191 178.336 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.581 ' O ' ' HA ' ' A' ' 51' ' ' GLU . 7.6 p -94.41 124.34 46.86 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.204 0 O-C-N 121.86 -0.525 . . . . 1.87 110.496 -177.16 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -71.8 126.03 28.67 Favored 'General case' 0 C--N 1.304 -1.401 0 CA-C-N 115.288 -0.869 . . . . 2.26 110.261 -178.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.739 HG22 HG22 ' A' ' 63' ' ' VAL . 28.7 mt -136.85 93.23 13.84 Favored Pre-proline 0 C--N 1.301 -1.543 0 N-CA-C 106.396 -1.705 . . . . 1.23 106.396 -178.341 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -73.58 156.53 49.44 Favored 'Trans proline' 0 N--CA 1.447 -1.256 0 C-N-CA 121.593 1.528 . . . . 0.76 111.458 -179.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.459 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 3.1 t70 -41.88 -39.29 1.77 Allowed 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 124.772 1.229 . . . . 2.0 111.949 175.112 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -62.1 -38.7 89.88 Favored 'General case' 0 C--N 1.309 -1.157 0 CA-C-N 114.902 -1.045 . . . . 2.09 111.755 -176.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -85.94 -33.35 21.19 Favored 'General case' 0 N--CA 1.485 1.294 0 CA-C-O 121.618 0.723 . . . . 1.58 109.424 176.683 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.739 HG22 HG22 ' A' ' 58' ' ' ILE . 1.4 t -56.49 -27.4 24.81 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.396 0 CA-C-N 114.589 -1.187 . . . . 1.39 111.553 176.357 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.576 ' HA ' ' S1 ' ' A' ' 101' ' ' SHW . 60.5 mmtt -58.58 -28.9 65.99 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.937 -0.574 . . . . 2.97 111.655 177.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -85.65 -11.61 53.42 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-O 121.431 0.634 . . . . 2.62 109.777 -175.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.529 HD11 ' HA ' ' A' ' 72' ' ' ALA . 67.5 mt -76.63 -60.48 2.33 Favored 'General case' 0 C--O 1.204 -1.3 0 C-N-CA 120.608 -0.437 . . . . 1.67 111.674 -175.617 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.47 ' HA ' ' O1 ' ' A' ' 101' ' ' SHW 0.404 0.1 OUTLIER 57.85 -17.29 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.897 0 N-CA-C 117.099 2.259 . . . . 3.58 117.099 -179.365 . . . . . . . . 4 4 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 22.5 p -140.73 170.29 16.04 Favored 'General case' 0 C--O 1.241 0.613 0 CA-C-O 121.417 0.627 . . . . 1.09 111.56 175.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.717 HG21 ' O ' ' A' ' 27' ' ' LYS . 4.0 m -62.37 -44.35 99.12 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 CA-C-N 114.575 -1.193 . . . . 1.15 110.619 174.023 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.441 ' N ' HG22 ' A' ' 69' ' ' VAL . . . -59.04 -45.8 94.7 Favored Glycine 0 N--CA 1.442 -0.922 0 CA-C-N 115.452 -0.794 . . . . 0.36 112.676 -179.685 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.436 ' HA ' ' HB3' ' A' ' 74' ' ' LYS . 1.4 m-20 -71.11 -34.54 71.19 Favored 'General case' 0 CA--C 1.494 -1.207 0 CA-C-N 117.234 0.517 . . . . 1.79 111.698 178.017 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.529 ' HA ' HD11 ' A' ' 66' ' ' LEU . . . -55.03 -59.12 5.18 Favored 'General case' 0 CA--C 1.516 -0.357 0 N-CA-C 108.061 -1.088 . . . . 1.08 108.061 175.053 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.449 HG23 ' HB ' ' A' ' 7' ' ' ILE . 51.4 m -48.27 -51.66 24.76 Favored 'General case' 0 C--O 1.192 -1.921 0 C-N-CA 123.993 0.917 . . . . 1.15 111.846 171.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.436 ' HB3' ' HA ' ' A' ' 71' ' ' ASP . 50.4 tptt -50.62 -41.57 55.1 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.249 0.62 . . . . 3.35 111.763 178.77 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.505 ' O ' ' HB2' ' A' ' 79' ' ' HIS . 45.4 t80 -69.27 -53.92 17.28 Favored 'General case' 0 C--O 1.202 -1.404 0 N-CA-C 107.924 -1.139 . . . . 1.19 107.924 -178.386 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.476 HD12 ' CE2' ' A' ' 54' ' ' PHE . 71.5 mt -54.23 -54.82 18.19 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.315 0 C-N-CA 124.447 1.099 . . . . 1.07 110.592 178.609 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 61.5 tp -48.57 -48.61 38.69 Favored 'General case' 0 C--N 1.318 -0.794 0 C-N-CA 124.3 1.04 . . . . 1.76 111.459 -179.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -84.54 -34.56 23.25 Favored 'General case' 0 C--N 1.302 -1.472 0 CA-C-N 115.223 -0.899 . . . . 0.67 112.604 -174.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.505 ' HB2' ' O ' ' A' ' 75' ' ' TYR . 36.3 m-70 -96.24 -7.6 35.13 Favored 'General case' 0 C--N 1.305 -1.351 0 N-CA-C 115.086 1.513 . . . . 1.87 115.086 -171.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -70.69 172.85 7.99 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 114.441 1.274 . . . . 1.31 114.441 -173.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.428 -1.556 0 CA-C-N 114.482 -1.235 . . . . 2.36 110.063 -175.481 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' SHW . . . . . 0.576 ' S1 ' ' HA ' ' A' ' 64' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.719 0 N-CA-C 108.249 -1.019 . . . . 2.5 108.249 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -150.12 145.87 26.57 Favored 'General case' 0 N--CA 1.43 -1.427 0 C-N-CA 120.107 -0.637 . . . . 1.39 109.579 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.431 ' O ' HG13 ' A' ' 7' ' ' ILE . 4.6 m -71.01 125.25 26.35 Favored 'General case' 0 N--CA 1.418 -2.04 0 N-CA-C 106.209 -1.775 . . . . 1.6 106.209 178.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.563 ' HA ' HD12 ' A' ' 7' ' ' ILE . 17.6 mt-30 -45.02 -42.5 8.45 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 114.124 1.157 . . . . 1.66 114.124 -172.337 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -65.59 -41.32 92.96 Favored 'General case' 0 C--O 1.2 -1.551 0 N-CA-C 110.247 -0.279 . . . . 2.3 110.247 179.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -68.86 -21.93 64.24 Favored 'General case' 0 C--N 1.313 -1.018 0 C-N-CA 123.503 0.721 . . . . 1.92 110.402 179.113 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.563 HD12 ' HA ' ' A' ' 4' ' ' GLN . 41.4 mt -69.79 -59.1 3.89 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.824 0 N-CA-C 106.917 -1.512 . . . . 1.08 106.917 174.276 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.587 ' HA ' HD12 ' A' ' 11' ' ' LEU . 66.3 t -56.6 -41.54 73.89 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.067 0 CA-C-N 115.408 -0.815 . . . . 1.1 110.35 177.277 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.72 -38.88 92.77 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 122.938 0.495 . . . . 1.08 110.723 176.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.75 -48.02 86.7 Favored Glycine 0 CA--C 1.495 -1.167 0 N-CA-C 109.819 -1.312 . . . . 0.31 109.819 175.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.587 HD12 ' HA ' ' A' ' 8' ' ' VAL . 97.6 mt -56.24 -46.32 79.63 Favored 'General case' 0 N--CA 1.436 -1.134 0 C-N-CA 123.524 0.73 . . . . 1.02 109.659 175.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.627 ' HB2' ' HA ' ' A' ' 23' ' ' VAL . . . -58.21 -43.58 87.71 Favored 'General case' 0 C--N 1.315 -0.926 0 C-N-CA 124.111 0.964 . . . . 1.08 112.248 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.479 ' HA ' HG23 ' A' ' 23' ' ' VAL . 10.7 pt-20 -73.33 -28.73 62.23 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 112.9 0.704 . . . . 1.46 112.9 -179.706 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 89.9 mt -67.81 -50.78 56.87 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.194 0 N-CA-C 108.183 -1.043 . . . . 1.16 108.183 172.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.641 HG12 ' HB ' ' A' ' 21' ' ' ILE . 84.2 t -60.24 -35.54 62.73 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.566 0 CA-C-N 115.462 -0.79 . . . . 1.1 110.691 177.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.484 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 3.9 t-20 -60.04 -39.17 85.01 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-O 121.077 0.465 . . . . 0.64 110.336 178.138 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -79.91 -52.07 8.33 Favored 'General case' 0 C--N 1.306 -1.293 0 CA-C-N 115.34 -0.845 . . . . 2.0 111.742 -176.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.674 HG21 ' HB3' ' A' ' 42' ' ' SER . 68.8 mt -82.16 -53.5 11.74 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 N-CA-C 112.094 0.405 . . . . 1.1 112.094 -174.397 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.743 ' HB1' HG13 ' A' ' 38' ' ' VAL . . . -77.74 -37.87 48.27 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.289 0.566 . . . . 0.93 110.045 -178.399 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.41 28.83 10.86 Favored Glycine 0 N--CA 1.446 -0.663 0 N-CA-C 110.797 -0.921 . . . . 0.46 110.797 -178.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.641 ' HB ' HG12 ' A' ' 15' ' ' VAL . 51.5 mm -108.47 126.81 28.71 Favored Pre-proline 0 C--N 1.316 -0.879 0 N-CA-C 109.541 -0.54 . . . . 1.2 109.541 -177.424 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.505 ' HD2' ' HA ' ' A' ' 21' ' ' ILE . 2.9 Cg_exo -34.93 135.49 0.15 Allowed 'Trans proline' 0 N--CA 1.457 -0.652 1 C-N-CA 125.481 4.121 . . . . 0.47 115.094 175.846 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.627 ' HA ' ' HB2' ' A' ' 12' ' ' ALA . 29.7 t -65.95 -5.12 2.66 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 CA-C-N 114.366 -1.288 . . . . 1.4 109.318 177.309 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.44 ' H ' ' C ' ' A' ' 22' ' ' PRO . 8.6 pt-20 -105.2 -20.46 13.5 Favored 'General case' 0 N--CA 1.422 -1.869 0 CA-C-N 114.82 -1.082 . . . . 2.34 111.346 -178.462 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -84.15 -28.19 27.58 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 108.771 -0.826 . . . . 0.69 108.771 -175.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.522 HG21 HD12 ' A' ' 36' ' ' LEU . 88.2 t -84.82 81.4 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.262 0 CA-C-N 113.565 -1.652 . . . . 1.17 109.501 -178.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.581 ' O ' HG22 ' A' ' 69' ' ' VAL . 13.2 pttm -113.98 168.37 9.87 Favored 'General case' 0 C--N 1.289 -2.052 0 CA-C-N 114.139 -1.392 . . . . 2.23 108.21 176.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.73 ' HA ' HG23 ' A' ' 69' ' ' VAL . 4.9 tt -67.42 6.03 0.67 Allowed 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 115.408 1.633 . . . . 1.7 115.408 -166.779 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -110.58 13.59 22.56 Favored 'General case' 0 C--N 1.28 -2.436 0 O-C-N 121.117 -0.99 . . . . 2.11 108.922 179.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.535 ' HB3' ' HG ' ' A' ' 36' ' ' LEU . 70.2 mmtt -113.2 135.03 54.26 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 114.153 1.168 . . . . 1.65 114.153 -172.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.642 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 16.0 m -94.81 117.72 30.59 Favored 'General case' 0 N--CA 1.402 -2.851 0 N-CA-C 107.105 -1.443 . . . . 1.66 107.105 171.714 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.8 ' HA ' HD13 ' A' ' 36' ' ' LEU . 98.4 m-85 -39.89 -88.47 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 114.208 1.188 . . . . 0.61 114.208 177.772 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.71 HG21 ' HB ' ' A' ' 38' ' ' VAL . 0.3 OUTLIER -80.22 59.24 3.29 Favored 'General case' 0 C--N 1.313 -0.996 0 O-C-N 121.73 -0.606 . . . . 1.08 112.424 178.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -165.52 -65.97 0.03 OUTLIER 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 115.482 -0.781 . . . . 0.73 110.25 179.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -91.96 -49.9 5.99 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 116.14 -0.482 . . . . 1.46 109.789 -174.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.8 HD13 ' HA ' ' A' ' 32' ' ' PHE . 89.1 mt -65.84 -43.6 88.01 Favored 'General case' 0 CA--C 1.499 -1.015 0 CA-C-N 115.592 -0.731 . . . . 1.12 110.006 178.419 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.6 t70 73.57 94.38 0.08 Allowed 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 113.253 -1.794 . . . . 1.14 110.607 -175.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.743 HG13 ' HB1' ' A' ' 19' ' ' ALA . 69.8 t -87.62 -78.51 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.912 0 N-CA-C 107.258 -1.386 . . . . 2.39 107.258 177.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -179.58 -91.97 0.0 OUTLIER 'General case' 0 C--N 1.29 -1.987 0 CA-C-N 114.274 -1.33 . . . . 0.79 109.272 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.3 t 175.44 -59.04 0.01 OUTLIER 'General case' 0 N--CA 1.431 -1.39 0 N-CA-C 106.839 -1.541 . . . . 1.37 106.839 -176.046 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 84.2 mt -79.26 -32.57 43.75 Favored 'General case' 0 C--N 1.306 -1.313 0 CA-C-O 122.035 0.921 . . . . 1.58 108.863 -175.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.674 ' HB3' HG21 ' A' ' 18' ' ' ILE . 42.6 m -69.93 -14.63 62.81 Favored 'General case' 0 N--CA 1.432 -1.365 0 CA-C-N 114.028 -1.442 . . . . 1.26 110.664 178.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.604 ' HE1' ' HB3' ' A' ' 32' ' ' PHE . 29.5 tpp -67.2 -46.79 72.84 Favored 'General case' 0 N--CA 1.429 -1.507 0 CA-C-N 116.181 -0.463 . . . . 1.22 111.681 -178.346 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 59.0 t -65.85 -23.87 33.13 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.13 0 CA-C-N 115.948 -0.569 . . . . 1.25 110.384 -177.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.569 ' HB2' HG22 ' A' ' 18' ' ' ILE . 5.7 mm-40 -72.39 -38.22 68.53 Favored 'General case' 0 N--CA 1.437 -1.08 0 N-CA-C 108.007 -1.109 . . . . 2.08 108.007 178.513 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.452 HG22 ' O ' ' A' ' 42' ' ' SER . 84.0 t -64.02 -46.6 93.43 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-N 115.267 -0.878 . . . . 1.21 108.944 178.04 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 43' ' ' MET . 60.2 t -52.55 -63.37 0.48 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.404 0 O-C-N 124.056 0.848 . . . . 1.1 109.137 177.277 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.415 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 91.8 t -48.38 -46.58 14.29 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.666 0 CA-C-N 115.937 -0.574 . . . . 1.36 112.222 174.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.87 -32.78 74.48 Favored 'General case' 0 C--O 1.241 0.607 0 N-CA-C 112.763 0.653 . . . . 1.13 112.763 -178.02 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.57 -35.48 81.13 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 122.423 0.289 . . . . 1.14 110.349 178.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.574 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 31.8 mt-10 -59.67 -43.63 93.91 Favored 'General case' 0 C--O 1.219 -0.552 0 CA-C-O 121.422 0.629 . . . . 1.36 110.078 179.387 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -73.53 -33.59 64.8 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 115.026 -0.988 . . . . 2.09 111.198 -178.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 27.3 tpt180 -76.03 -35.24 59.58 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-O 121.097 0.475 . . . . 3.27 111.064 -174.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.481 ' CE2' HD11 ' A' ' 76' ' ' ILE . 35.5 m-85 -108.71 -3.9 17.45 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 112.686 0.625 . . . . 1.11 112.686 -175.176 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.3 t70 72.65 1.16 3.89 Favored 'General case' 0 N--CA 1.494 1.74 0 C-N-CA 125.39 1.476 . . . . 2.02 111.738 178.286 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.574 ' O ' ' HA ' ' A' ' 51' ' ' GLU . 3.2 p -104.0 121.63 55.8 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.333 0 CA-C-N 115.68 -0.691 . . . . 1.87 109.733 -179.583 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.437 ' HE2' ' OE2' ' A' ' 51' ' ' GLU . 14.7 mmmm -68.91 131.14 44.62 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 115.821 -0.627 . . . . 2.26 109.403 179.633 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.539 ' H ' ' HG2' ' A' ' 51' ' ' GLU . 37.5 mt -128.32 99.67 24.03 Favored Pre-proline 0 C--N 1.3 -1.566 0 N-CA-C 106.785 -1.561 . . . . 1.23 106.785 -177.438 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -77.03 141.41 20.99 Favored 'Trans proline' 0 N--CA 1.443 -1.445 0 C-N-CA 121.686 1.59 . . . . 0.76 113.365 -176.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.615 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 5.5 t70 -36.65 -37.69 0.14 Allowed 'General case' 0 C--O 1.205 -1.238 0 C-N-CA 126.1 1.76 . . . . 2.0 113.802 172.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -81.23 -30.67 34.12 Favored 'General case' 0 C--N 1.309 -1.17 0 N-CA-C 113.182 0.808 . . . . 2.09 113.182 -177.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -86.4 -32.19 21.04 Favored 'General case' 0 C--N 1.306 -1.287 0 N-CA-C 107.875 -1.157 . . . . 1.58 107.875 -178.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.803 HG21 ' H5 ' ' A' ' 101' ' ' SHW . 1.4 p -61.26 -21.6 25.3 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.01 0 CA-C-N 114.583 -1.19 . . . . 1.39 110.381 179.383 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.666 ' HA ' ' S1 ' ' A' ' 101' ' ' SHW . 95.1 mttt -62.97 -10.39 13.52 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.155 0.982 . . . . 2.97 112.708 177.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -88.48 -24.13 23.06 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 108.405 -0.961 . . . . 2.62 108.405 178.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.809 HD13 ' HA ' ' A' ' 72' ' ' ALA . 12.1 mt -96.15 112.33 24.1 Favored 'General case' 0 N--CA 1.411 -2.377 0 N-CA-C 107.956 -1.127 . . . . 1.67 107.956 -173.796 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.541 ' HD2' ' OD2' ' A' ' 71' ' ' ASP 0.277 0.0 OUTLIER -110.38 -28.49 8.54 Favored 'General case' 0 C--N 1.287 -2.149 0 N-CA-C 113.06 0.763 . . . . 3.58 113.06 176.901 . . . . . . . . 4 4 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.642 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 72.9 p -104.16 176.61 5.1 Favored 'General case' 0 N--CA 1.436 -1.154 0 C-N-CA 119.369 -0.932 . . . . 1.09 110.817 173.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.73 HG23 ' HA ' ' A' ' 28' ' ' LEU . 15.9 m -69.55 -33.64 57.92 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.587 0 CA-C-N 114.542 -1.208 . . . . 1.15 108.958 172.36 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -66.54 -36.78 91.93 Favored Glycine 0 N--CA 1.435 -1.418 0 CA-C-N 115.327 -0.852 . . . . 0.36 111.191 176.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.547 ' HB3' ' HA ' ' A' ' 66' ' ' LEU . 26.1 m-20 -67.36 -45.04 77.49 Favored 'General case' 0 CA--C 1.486 -1.504 0 N-CA-C 110.015 -0.365 . . . . 1.79 110.015 176.061 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.809 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -52.99 -59.13 4.93 Favored 'General case' 0 CA--C 1.515 -0.368 0 N-CA-C 108.629 -0.878 . . . . 1.08 108.629 176.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 44.0 m -48.56 -44.29 36.47 Favored 'General case' 0 C--O 1.19 -2.075 0 C-N-CA 123.854 0.862 . . . . 1.15 112.084 172.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.498 ' HB3' ' O ' ' A' ' 71' ' ' ASP . 26.2 ttpp -52.48 -39.63 61.43 Favored 'General case' 0 N--CA 1.484 1.255 0 CA-C-N 118.651 0.66 . . . . 3.35 111.317 176.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.577 ' HB2' HD21 ' A' ' 66' ' ' LEU . 60.5 t80 -76.76 -56.75 4.33 Favored 'General case' 0 C--O 1.2 -1.53 0 N-CA-C 108.194 -1.039 . . . . 1.19 108.194 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.538 HG21 ' NE2' ' A' ' 80' ' ' GLN . 70.0 mt -56.54 -52.01 58.33 Favored 'Isoleucine or valine' 0 C--O 1.188 -2.175 0 C-N-CA 124.662 1.185 . . . . 1.07 111.432 -175.779 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.542 ' HA ' HE21 ' A' ' 80' ' ' GLN . 35.1 tp -58.62 -34.31 71.01 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.084 0.553 . . . . 1.76 111.925 -178.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -88.04 -31.38 19.32 Favored 'General case' 0 C--N 1.299 -1.619 0 CA-C-O 122.212 1.006 . . . . 0.67 110.514 -177.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 22.5 m-70 -97.15 5.79 49.59 Favored 'General case' 0 C--N 1.295 -1.785 0 CA-C-N 114.663 -1.153 . . . . 1.87 112.391 -176.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.542 HE21 ' HA ' ' A' ' 77' ' ' LEU . 77.2 mm-40 -42.03 140.98 0.96 Allowed 'General case' 0 C--O 1.241 0.632 0 C-N-CA 124.394 1.078 . . . . 1.31 113.274 177.565 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.424 -1.77 0 CA-C-N 114.773 -1.103 . . . . 2.36 108.317 175.941 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' SHW . . . . . 0.803 ' H5 ' HG21 ' A' ' 63' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.449 ' HA ' ' HG3' ' A' ' 80' ' ' GLN . . . . . . . . 0 CA--C 1.51 -0.573 0 N-CA-C 108.998 -0.742 . . . . 2.5 108.998 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -145.32 155.09 42.98 Favored 'General case' 0 CA--C 1.493 -1.232 0 N-CA-C 106.505 -1.665 . . . . 1.39 106.505 174.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.687 HG23 ' HG2' ' A' ' 5' ' ' GLU . 7.5 m -69.05 126.95 31.4 Favored 'General case' 0 C--N 1.294 -1.839 0 N-CA-C 109.259 -0.645 . . . . 1.6 109.259 -177.606 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -53.23 -36.82 61.47 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.811 0.845 . . . . 1.66 112.074 -176.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.687 ' HG2' HG23 ' A' ' 3' ' ' THR . 10.8 pt-20 -73.06 -26.56 61.33 Favored 'General case' 0 C--N 1.302 -1.495 0 CA-C-N 115.618 -0.719 . . . . 2.3 110.849 -178.643 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.421 ' HB3' ' O ' ' A' ' 3' ' ' THR . 33.9 tt0 -73.01 -35.75 66.86 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 107.769 -1.197 . . . . 1.92 107.769 177.641 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.569 HG13 ' O ' ' A' ' 3' ' ' THR . 22.3 mt -66.94 -53.58 32.86 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.589 0 CA-C-N 114.261 -1.336 . . . . 1.08 107.977 177.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.782 HG21 HD11 ' A' ' 28' ' ' LEU . 58.5 t -57.62 -37.47 59.02 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.236 0 CA-C-N 116.192 -0.458 . . . . 1.1 111.937 177.143 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.2 -38.64 91.96 Favored 'General case' 0 C--O 1.243 0.736 0 CA-C-O 121.165 0.507 . . . . 1.08 110.056 176.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.95 -42.32 85.78 Favored Glycine 0 N--CA 1.436 -1.319 0 N-CA-C 110.673 -0.971 . . . . 0.31 110.673 178.017 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.482 ' O ' HG21 ' A' ' 15' ' ' VAL . 95.4 mt -60.74 -49.09 78.91 Favored 'General case' 0 C--N 1.307 -1.263 0 N-CA-C 110.175 -0.305 . . . . 1.02 110.175 175.746 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.49 -43.1 75.28 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 123.94 0.896 . . . . 1.08 112.393 -178.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -64.44 -39.05 93.08 Favored 'General case' 0 C--O 1.239 0.519 0 C-N-CA 120.503 -0.479 . . . . 1.46 111.484 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 91.3 mt -64.55 -52.11 59.14 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.129 0 CA-C-N 115.565 -0.743 . . . . 1.16 109.032 176.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.482 HG21 ' O ' ' A' ' 11' ' ' LEU . 95.5 t -54.96 -47.61 76.24 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.901 0 CA-C-N 115.092 -0.958 . . . . 1.1 111.18 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -63.57 -30.71 71.79 Favored 'General case' 0 C--N 1.301 -1.522 0 C-N-CA 120.68 -0.408 . . . . 0.64 111.372 -179.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -76.76 -47.25 22.28 Favored 'General case' 0 C--N 1.31 -1.144 0 CA-C-N 116.018 -0.537 . . . . 2.0 110.823 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.57 HG23 ' HB2' ' A' ' 45' ' ' GLU . 69.4 mt -93.9 -53.9 7.88 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.941 0 N-CA-C 112.584 0.587 . . . . 1.1 112.584 -174.391 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.463 ' CB ' HG13 ' A' ' 38' ' ' VAL . . . -75.57 -30.93 59.83 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-O 120.826 0.346 . . . . 0.93 110.535 -177.5 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 82.03 22.22 59.71 Favored Glycine 0 N--CA 1.447 -0.575 0 CA-C-N 115.253 -0.885 . . . . 0.46 111.758 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.676 HG22 HD21 ' A' ' 36' ' ' LEU . 50.1 mm -101.34 136.63 19.62 Favored Pre-proline 0 C--N 1.307 -1.269 0 CA-C-N 115.845 -0.177 . . . . 1.2 110.597 -176.361 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.496 ' HD2' ' HA ' ' A' ' 21' ' ' ILE . 5.5 Cg_exo -33.06 123.58 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.211 1 C-N-CA 125.882 4.388 . . . . 0.47 114.565 173.688 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 61.3 t -56.0 -38.19 51.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.65 0 CA-C-N 114.082 -1.417 . . . . 1.4 109.55 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.301 48.5 mt-10 -97.31 2.4 50.64 Favored 'General case' 0 N--CA 1.42 -1.948 0 N-CA-C 114.634 1.346 . . . . 2.34 114.634 -176.623 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.557 ' HA ' ' HZ2' ' A' ' 27' ' ' LYS . 33.2 t70 -86.45 -23.09 26.15 Favored 'General case' 0 CA--C 1.498 -1.05 0 N-CA-C 106.961 -1.496 . . . . 0.69 106.961 170.556 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.611 HG12 HG13 ' A' ' 69' ' ' VAL . 41.8 t -70.11 74.07 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.892 0 CA-C-N 114.21 -1.359 . . . . 1.17 109.867 175.724 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.699 ' O ' HG23 ' A' ' 69' ' ' VAL . 46.9 mttp -100.7 177.46 4.99 Favored 'General case' 0 C--O 1.2 -1.513 0 N-CA-C 105.544 -2.021 . . . . 2.23 105.544 175.652 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.782 HD11 HG21 ' A' ' 8' ' ' VAL . 9.7 mp -78.62 0.45 26.36 Favored 'General case' 0 C--N 1.29 -2.004 0 N-CA-C 115.738 1.755 . . . . 1.7 115.738 -170.337 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -104.88 10.9 34.2 Favored 'General case' 0 C--N 1.278 -2.506 0 N-CA-C 108.976 -0.75 . . . . 2.11 108.976 -179.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.489 ' O ' HG22 ' A' ' 69' ' ' VAL . 74.9 mmtt -97.65 110.85 23.34 Favored 'General case' 0 N--CA 1.418 -2.054 0 CA-C-N 114.84 -1.073 . . . . 1.65 112.511 -174.678 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.626 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 50.3 m -85.77 114.07 22.44 Favored 'General case' 0 N--CA 1.394 -3.231 0 N-CA-C 106.546 -1.649 . . . . 1.66 106.546 171.297 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.646 ' HB3' ' HE3' ' A' ' 43' ' ' MET . 93.7 m-85 -33.66 -83.02 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 124.597 1.159 . . . . 0.61 113.87 179.287 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.577 HG22 ' HB ' ' A' ' 38' ' ' VAL . 1.1 p -84.41 65.38 8.89 Favored 'General case' 0 C--N 1.302 -1.491 0 CA-C-O 121.673 0.749 . . . . 1.08 112.965 176.309 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.626 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 14.0 t70 -161.73 -61.68 0.05 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.277 -1.329 . . . . 0.73 109.464 177.839 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -93.65 -57.94 2.42 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.157 -0.682 . . . . 1.46 109.157 -178.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.676 HD21 HG22 ' A' ' 21' ' ' ILE . 76.4 mt -63.6 -44.53 93.74 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-N 114.931 -1.031 . . . . 1.12 110.003 -177.493 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.9 t70 71.2 82.5 0.15 Allowed 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 125.192 1.397 . . . . 1.14 108.691 179.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.577 ' HB ' HG22 ' A' ' 33' ' ' THR . 86.3 t -81.21 -90.22 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.306 -1.323 0 CA-C-N 114.204 -1.362 . . . . 2.39 110.39 -175.6 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.507 ' CG ' ' H ' ' A' ' 40' ' ' SER . 24.8 t70 172.57 -174.38 0.05 OUTLIER 'General case' 0 C--N 1.293 -1.868 0 N-CA-C 103.93 -2.618 . . . . 0.79 103.93 -177.727 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.636 ' HA ' H38A ' A' ' 101' ' ' SHW . 8.2 t -101.96 -38.88 7.59 Favored 'General case' 0 C--N 1.267 -2.987 0 N-CA-C 108.854 -0.795 . . . . 1.37 108.854 -174.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 94.8 mt -85.12 -35.42 21.78 Favored 'General case' 0 C--N 1.31 -1.138 0 N-CA-C 108.938 -0.764 . . . . 1.58 108.938 -179.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.569 ' HB3' HG22 ' A' ' 18' ' ' ILE . 19.0 m -66.99 -25.76 66.47 Favored 'General case' 0 N--CA 1.441 -0.885 0 CA-C-N 115.254 -0.885 . . . . 1.26 109.547 -179.569 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.646 ' HE3' ' HB3' ' A' ' 32' ' ' PHE . 31.7 tpp -61.77 -48.55 80.14 Favored 'General case' 0 N--CA 1.438 -1.034 0 CA-C-N 115.579 -0.737 . . . . 1.22 110.546 178.243 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 47.1 t -69.52 -26.79 31.88 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.292 0 CA-C-N 115.012 -0.995 . . . . 1.25 110.671 -175.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.57 ' HB2' HG23 ' A' ' 18' ' ' ILE . 38.3 mt-10 -70.99 -38.59 72.72 Favored 'General case' 0 N--CA 1.433 -1.284 0 N-CA-C 109.077 -0.712 . . . . 2.08 109.077 176.475 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.507 HG21 ' O ' ' A' ' 42' ' ' SER . 86.1 t -59.23 -46.01 92.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 N-CA-C 108.934 -0.765 . . . . 1.21 108.934 175.484 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.575 HG23 HG23 ' A' ' 63' ' ' VAL . 70.1 t -53.51 -63.98 0.46 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.707 0 CA-C-N 115.472 -0.786 . . . . 1.1 109.886 176.386 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.449 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 92.3 t -53.19 -40.08 37.04 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.309 0 C-N-CA 123.062 0.545 . . . . 1.36 112.438 179.041 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.22 -30.73 67.89 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 121.934 -0.479 . . . . 1.13 112.016 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.98 -36.71 84.85 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.24 0.543 . . . . 1.14 110.553 179.053 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.514 ' HG2' ' H ' ' A' ' 58' ' ' ILE . 28.8 mt-10 -64.59 -29.87 70.89 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-O 122.002 0.906 . . . . 1.36 110.091 179.37 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -83.43 -35.68 24.81 Favored 'General case' 0 C--N 1.299 -1.607 0 CA-C-N 114.96 -1.018 . . . . 2.09 109.968 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.7 tpm_? -76.96 -31.76 56.8 Favored 'General case' 0 N--CA 1.434 -1.262 0 CA-C-N 114.754 -1.112 . . . . 3.27 110.673 -174.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.53 ' CD2' HD11 ' A' ' 76' ' ' ILE . 35.2 m-85 -118.66 -0.63 11.28 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 113.208 0.818 . . . . 1.11 113.208 -175.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 22.8 t70 73.38 -11.46 0.91 Allowed 'General case' 0 N--CA 1.502 2.138 0 C-N-CA 124.25 1.02 . . . . 2.02 112.146 178.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.503 ' O ' ' HA ' ' A' ' 51' ' ' GLU . 6.9 p -93.24 119.86 41.69 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.081 0 CA-C-O 121.405 0.621 . . . . 1.87 110.289 -177.711 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.438 ' HZ2' ' HB3' ' A' ' 57' ' ' LYS . 4.1 mmmp? -70.54 123.54 22.06 Favored 'General case' 0 C--N 1.303 -1.446 0 CA-C-N 115.026 -0.988 . . . . 2.26 110.289 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.514 ' H ' ' HG2' ' A' ' 51' ' ' GLU . 49.3 mt -129.99 95.68 27.8 Favored Pre-proline 0 C--N 1.292 -1.893 0 N-CA-C 106.39 -1.708 . . . . 1.23 106.39 -179.369 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -72.54 151.93 53.52 Favored 'Trans proline' 0 N--CA 1.441 -1.591 0 C-N-CA 121.308 1.339 . . . . 0.76 112.052 -178.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.556 ' O ' HG11 ' A' ' 63' ' ' VAL . 11.5 t70 -43.91 -35.56 2.05 Favored 'General case' 0 C--O 1.207 -1.132 0 C-N-CA 124.981 1.313 . . . . 2.0 111.782 173.681 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -60.46 -50.06 75.1 Favored 'General case' 0 C--N 1.312 -1.041 0 N-CA-C 111.945 0.35 . . . . 2.09 111.945 178.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -83.42 -23.56 32.28 Favored 'General case' 0 CA--C 1.492 -1.271 0 O-C-N 122.076 -0.39 . . . . 1.58 111.902 -179.107 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.575 HG23 HG23 ' A' ' 47' ' ' VAL . 1.0 OUTLIER -63.84 -22.3 30.69 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.135 0 CA-C-O 121.51 0.671 . . . . 1.39 110.867 -178.13 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.553 ' HG2' ' O ' ' A' ' 60' ' ' ASP . 72.9 mmtt -64.91 -24.22 67.46 Favored 'General case' 0 C--O 1.218 -0.567 0 CA-C-N 115.356 -0.838 . . . . 2.97 110.821 178.341 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -92.89 6.28 48.3 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 115.689 -0.687 . . . . 2.62 110.468 -177.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.638 HD13 ' HA ' ' A' ' 72' ' ' ALA . 60.5 mt -97.91 -56.63 2.44 Favored 'General case' 0 C--O 1.204 -1.327 0 CA-C-N 116.231 -0.44 . . . . 1.67 109.876 179.046 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.521 ' HA ' ' H3 ' ' A' ' 101' ' ' SHW 0.44 0.0 OUTLIER 58.81 -28.38 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 117.681 2.474 . . . . 3.58 117.681 177.091 . . . . . . . . 4 4 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 79.2 p -121.96 179.28 4.56 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.437 -0.789 . . . . 1.09 110.521 177.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.699 HG23 ' O ' ' A' ' 27' ' ' LYS . 4.1 m -73.85 -42.5 53.75 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.585 0 CA-C-N 114.144 -1.389 . . . . 1.15 109.461 172.068 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.426 ' N ' HG21 ' A' ' 69' ' ' VAL . . . -65.48 -42.4 95.8 Favored Glycine 0 CA--C 1.498 -0.987 0 CA-C-N 115.604 -0.725 . . . . 0.36 112.345 -178.041 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.534 ' HB2' ' O ' ' A' ' 66' ' ' LEU . 28.9 m-20 -78.26 -26.7 47.33 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 110.423 -0.214 . . . . 1.79 110.423 -179.762 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.638 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -62.1 -55.78 25.43 Favored 'General case' 0 CA--C 1.511 -0.542 0 N-CA-C 107.594 -1.261 . . . . 1.08 107.594 172.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.547 ' HA ' HG21 ' A' ' 7' ' ' ILE . 85.4 m -49.0 -43.8 40.64 Favored 'General case' 0 C--O 1.194 -1.867 0 C-N-CA 123.836 0.855 . . . . 1.15 111.406 171.095 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.429 ' HB3' ' HA ' ' A' ' 71' ' ' ASP . 23.4 tptm -57.07 -32.19 65.99 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 123.836 0.854 . . . . 3.35 111.281 178.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.46 ' HB2' ' CD2' ' A' ' 66' ' ' LEU . 55.2 t80 -75.82 -55.76 5.32 Favored 'General case' 0 C--O 1.201 -1.493 0 N-CA-C 107.652 -1.24 . . . . 1.19 107.652 178.403 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.53 HD11 ' CD2' ' A' ' 54' ' ' PHE . 61.6 mt -56.61 -52.21 56.44 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.606 0 C-N-CA 125.087 1.355 . . . . 1.07 110.983 -177.748 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 47.1 tp -50.53 -42.23 54.79 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.903 0.881 . . . . 1.76 111.432 178.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -88.99 -28.45 20.2 Favored 'General case' 0 C--N 1.295 -1.764 0 CA-C-N 115.074 -0.966 . . . . 0.67 112.022 -174.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 39.3 m-70 -102.18 5.84 40.43 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 113.657 0.984 . . . . 1.87 113.657 -174.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.449 ' HG3' ' HA ' ' A' ' 1' ' ' ALA . 81.3 mm-40 -32.03 119.51 0.27 Allowed 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 125.088 1.355 . . . . 1.31 113.433 178.388 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.429 -1.491 0 N-CA-C 108.575 -0.898 . . . . 2.36 108.575 -179.873 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' SHW . . . . . 0.636 H38A ' HA ' ' A' ' 40' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.424 ' HA ' ' HG3' ' A' ' 80' ' ' GLN . . . . . . . . 0 C--O 1.233 0.201 0 N-CA-C 108.752 -0.833 . . . . 2.5 108.752 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -137.63 171.96 13.67 Favored 'General case' 0 N--CA 1.43 -1.471 0 N-CA-C 107.762 -1.199 . . . . 1.39 107.762 -175.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.539 ' O ' HG13 ' A' ' 7' ' ' ILE . 9.3 m -84.7 123.0 29.89 Favored 'General case' 0 N--CA 1.418 -2.035 0 N-CA-C 107.411 -1.329 . . . . 1.6 107.411 -176.695 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -50.38 -39.46 46.84 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 113.396 0.888 . . . . 1.66 113.396 -173.333 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -66.51 -29.99 70.21 Favored 'General case' 0 C--N 1.294 -1.814 0 CA-C-N 115.873 -0.603 . . . . 2.3 110.53 -176.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -78.02 -31.61 50.61 Favored 'General case' 0 N--CA 1.44 -0.934 0 N-CA-C 108.46 -0.941 . . . . 1.92 108.46 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.539 HG13 ' O ' ' A' ' 3' ' ' THR . 15.5 mt -73.48 -50.99 27.13 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.202 0 N-CA-C 108.293 -1.003 . . . . 1.08 108.293 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.442 HG22 HD12 ' A' ' 28' ' ' LEU . 67.9 t -57.09 -40.69 74.76 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.172 0 CA-C-N 115.886 -0.597 . . . . 1.1 110.765 176.446 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.2 -37.38 87.25 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.111 0.481 . . . . 1.08 110.09 175.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.17 -39.57 96.24 Favored Glycine 0 C--O 1.204 -1.723 0 N-CA-C 110.304 -1.119 . . . . 0.31 110.304 178.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.474 ' O ' HG23 ' A' ' 15' ' ' VAL . 96.0 mt -66.01 -44.39 84.88 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 110.017 -0.364 . . . . 1.02 110.017 175.423 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.38 -42.72 78.35 Favored 'General case' 0 C--O 1.239 0.531 0 C-N-CA 123.766 0.826 . . . . 1.08 112.053 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -65.31 -36.15 83.17 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-O 121.206 0.526 . . . . 1.46 111.771 178.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 97.0 mt -67.21 -49.06 76.09 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 CA-C-N 115.338 -0.846 . . . . 1.16 109.249 177.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.617 HG11 ' HB ' ' A' ' 21' ' ' ILE . 94.5 t -57.73 -42.14 81.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.693 -0.685 . . . . 1.1 110.751 178.568 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -65.2 -33.04 75.06 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-O 121.342 0.591 . . . . 0.64 111.924 -179.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.33 -56.79 4.31 Favored 'General case' 0 C--N 1.304 -1.408 0 CA-C-N 115.543 -0.753 . . . . 2.0 109.039 -179.694 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.822 HG23 ' HB3' ' A' ' 42' ' ' SER . 79.8 mt -79.62 -52.37 14.99 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.141 0 N-CA-C 113.164 0.801 . . . . 1.1 113.164 -172.052 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.796 ' HB1' HG11 ' A' ' 38' ' ' VAL . . . -80.94 -36.78 30.54 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 121.147 0.498 . . . . 0.93 110.592 -177.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.53 31.66 12.96 Favored Glycine 0 N--CA 1.441 -0.993 0 N-CA-C 110.405 -1.078 . . . . 0.46 110.405 -176.081 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.617 ' HB ' HG11 ' A' ' 15' ' ' VAL . 42.8 mm -110.92 132.0 21.86 Favored Pre-proline 0 C--N 1.313 -1.017 0 N-CA-C 109.815 -0.439 . . . . 1.2 109.815 -178.336 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 21' ' ' ILE . 6.7 Cg_exo -35.48 129.47 0.3 Allowed 'Trans proline' 0 N--CA 1.453 -0.863 0 C-N-CA 125.197 3.931 . . . . 0.47 114.022 174.115 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 74.5 t -60.45 -24.48 31.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 114.917 -1.038 . . . . 1.4 108.531 176.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -88.07 -17.75 30.39 Favored 'General case' 0 N--CA 1.421 -1.915 0 CA-C-N 114.477 -1.238 . . . . 2.34 113.122 -178.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -83.84 -14.28 51.63 Favored 'General case' 0 N--CA 1.486 1.337 0 CA-C-O 122.569 1.175 . . . . 0.69 108.634 -178.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.685 HG13 HG12 ' A' ' 69' ' ' VAL . 62.3 t -78.5 73.27 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.343 0 CA-C-N 113.424 -1.716 . . . . 1.17 108.939 178.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.588 ' O ' HG22 ' A' ' 69' ' ' VAL . 43.0 mmtm -85.14 159.55 20.12 Favored 'General case' 0 N--CA 1.417 -2.089 0 N-CA-C 106.45 -1.685 . . . . 2.23 106.45 175.623 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.444 HD22 ' O ' ' A' ' 28' ' ' LEU . 8.0 tt -72.64 -11.15 60.52 Favored 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 112.894 0.701 . . . . 1.7 112.894 -170.016 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -97.11 0.19 48.09 Favored 'General case' 0 C--N 1.274 -2.686 0 CA-C-N 115.564 -0.744 . . . . 2.11 109.358 -177.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.516 ' O ' HG21 ' A' ' 69' ' ' VAL . 45.1 mmtm -90.27 125.94 35.67 Favored 'General case' 0 C--N 1.303 -1.427 0 CA-C-O 121.744 0.783 . . . . 1.65 112.583 -172.411 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.59 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 3.3 m -92.01 112.74 24.79 Favored 'General case' 0 N--CA 1.402 -2.831 0 N-CA-C 106.606 -1.628 . . . . 1.66 106.606 174.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.609 ' HA ' HD11 ' A' ' 36' ' ' LEU . 86.5 m-85 -28.18 -84.6 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 115.056 1.502 . . . . 0.61 115.056 179.196 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.693 HG22 ' HB ' ' A' ' 38' ' ' VAL . 0.8 OUTLIER -85.37 64.26 8.55 Favored 'General case' 0 C--N 1.307 -1.278 0 N-CA-C 114.164 1.172 . . . . 1.08 114.164 -179.875 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -170.46 -51.22 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 107.565 -1.272 . . . . 0.73 107.565 177.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.42 ' HB3' ' CD ' ' A' ' 30' ' ' LYS . 34.5 m-20 -95.26 -55.76 2.95 Favored 'General case' 0 C--N 1.307 -1.276 0 CA-C-N 114.681 -1.145 . . . . 1.46 110.72 179.286 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.609 HD11 ' HA ' ' A' ' 32' ' ' PHE . 96.3 mt -72.86 -44.0 61.89 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 112.102 0.408 . . . . 1.12 112.102 -176.737 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.7 t70 76.24 92.45 0.07 Allowed 'General case' 0 CA--C 1.505 -0.767 0 O-C-N 124.935 1.397 . . . . 1.14 109.92 -174.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.796 HG11 ' HB1' ' A' ' 19' ' ' ALA . 93.4 t -96.11 -89.27 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.298 -1.666 0 CA-C-N 114.914 -1.039 . . . . 2.39 109.44 -177.677 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.622 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 14.5 t70 176.29 179.74 0.18 Allowed 'General case' 0 C--N 1.29 -2.009 0 N-CA-C 103.618 -2.734 . . . . 0.79 103.618 -179.062 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.802 ' HA ' H37A ' A' ' 101' ' ' SHW . 5.7 t -99.36 -35.09 10.04 Favored 'General case' 0 C--N 1.26 -3.306 0 N-CA-C 108.778 -0.823 . . . . 1.37 108.778 -174.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 91.0 mt -86.88 -38.31 16.87 Favored 'General case' 0 C--N 1.31 -1.14 0 CA-C-O 122.265 1.031 . . . . 1.58 109.216 -178.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.822 ' HB3' HG23 ' A' ' 18' ' ' ILE . 46.5 m -71.14 -14.39 62.27 Favored 'General case' 0 N--CA 1.433 -1.292 0 CA-C-N 113.91 -1.496 . . . . 1.26 111.064 -177.084 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.416 ' HE3' ' OG1' ' A' ' 33' ' ' THR . 21.1 tpp -62.15 -47.36 84.86 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.73 -0.668 . . . . 1.22 110.675 177.788 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.419 ' O ' HG21 ' A' ' 48' ' ' VAL . 46.8 t -71.88 -23.07 21.81 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.4 0 CA-C-N 115.62 -0.718 . . . . 1.25 110.492 -177.287 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.597 ' HB2' HG21 ' A' ' 18' ' ' ILE . 31.5 mm-40 -69.97 -36.45 75.24 Favored 'General case' 0 N--CA 1.439 -1.006 0 N-CA-C 108.753 -0.832 . . . . 2.08 108.753 177.702 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.467 HG21 ' O ' ' A' ' 42' ' ' SER . 99.2 t -62.05 -46.25 96.9 Favored 'Isoleucine or valine' 0 C--N 1.339 0.12 0 N-CA-C 108.591 -0.892 . . . . 1.21 108.591 177.274 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.57 HG22 HG23 ' A' ' 63' ' ' VAL . 48.7 t -53.77 -63.4 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.571 0 CA-C-N 115.365 -0.834 . . . . 1.1 109.287 176.692 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.419 HG21 ' O ' ' A' ' 44' ' ' VAL . 85.4 t -44.9 -54.91 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 C-N-CA 123.954 0.902 . . . . 1.36 112.071 176.031 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.79 -35.52 80.14 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.384 0.512 . . . . 1.13 112.384 -177.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.0 -37.57 83.0 Favored 'General case' 0 C--O 1.243 0.73 0 CA-C-O 120.565 0.221 . . . . 1.14 110.752 178.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 -59.47 -43.7 93.17 Favored 'General case' 0 C--O 1.216 -0.671 0 CA-C-N 116.0 -0.545 . . . . 1.36 110.241 178.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -75.15 -38.24 61.03 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 116.204 -0.453 . . . . 2.09 111.348 -179.021 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.512 ' HA ' ' HE ' ' A' ' 53' ' ' ARG . 1.6 tpm_? -65.33 -35.42 80.93 Favored 'General case' 0 CA--C 1.502 -0.901 0 CA-C-O 121.149 0.5 . . . . 3.27 111.319 -170.396 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.453 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 39.3 m-85 -111.37 0.42 16.62 Favored 'General case' 0 C--N 1.291 -1.977 0 CA-C-N 115.512 -0.767 . . . . 1.11 111.038 -175.696 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.7 t70 52.94 64.64 1.78 Allowed 'General case' 0 CA--C 1.511 -0.541 0 C-N-CA 125.149 1.38 . . . . 2.02 110.3 -173.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 25.7 m -134.13 -166.89 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.284 -2.274 0 CA-C-N 114.402 -1.272 . . . . 1.87 108.185 -178.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 23.8 tptp -143.09 119.65 11.05 Favored 'General case' 0 N--CA 1.415 -2.204 0 N-CA-C 106.824 -1.547 . . . . 2.26 106.824 178.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.696 HD13 HG12 ' A' ' 76' ' ' ILE . 21.4 mt -141.76 96.26 6.83 Favored Pre-proline 0 C--N 1.301 -1.506 0 N-CA-C 106.258 -1.756 . . . . 1.23 106.258 -177.116 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.436 ' HD2' ' HB2' ' A' ' 62' ' ' ASP . 72.6 Cg_endo -76.95 157.27 34.63 Favored 'Trans proline' 0 N--CA 1.435 -1.929 0 C-N-CA 121.173 1.248 . . . . 0.76 111.857 -178.072 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.513 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 16.1 t70 -46.53 -26.35 0.86 Allowed 'General case' 0 C--O 1.208 -1.087 0 C-N-CA 125.441 1.496 . . . . 2.0 112.716 175.11 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -82.05 -47.4 12.67 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 112.089 0.403 . . . . 2.09 112.089 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.436 ' HB2' ' HD2' ' A' ' 59' ' ' PRO . 18.3 m-20 -78.94 -20.0 50.33 Favored 'General case' 0 CA--C 1.486 -1.497 0 O-C-N 122.185 -0.322 . . . . 1.58 111.559 -177.428 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.637 HG22 ' H6 ' ' A' ' 101' ' ' SHW . 3.0 p -70.38 -23.08 24.35 Favored 'Isoleucine or valine' 0 C--O 1.189 -2.112 0 CA-C-N 115.567 -0.742 . . . . 1.39 110.248 -179.656 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.513 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 66.0 mttm -62.21 -2.38 0.96 Allowed 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.539 1.136 . . . . 2.97 113.729 -175.498 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -115.26 10.61 15.99 Favored 'General case' 0 C--N 1.287 -2.109 0 CA-C-O 121.692 0.758 . . . . 2.62 109.075 -176.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.727 HD13 ' HA ' ' A' ' 72' ' ' ALA . 38.7 mt -123.06 39.73 3.88 Favored 'General case' 0 C--O 1.216 -0.705 0 O-C-N 121.784 -0.572 . . . . 1.67 111.83 -173.446 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.73 -23.0 0.1 Allowed 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 118.2 2.667 . . . . 3.58 118.2 -176.099 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.59 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 68.3 p -110.25 167.69 10.0 Favored 'General case' 0 CA--C 1.503 -0.856 0 CA-C-N 119.239 0.927 . . . . 1.09 111.206 177.002 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.685 HG12 HG13 ' A' ' 26' ' ' VAL . 2.8 m -60.81 -42.84 93.91 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.49 0 CA-C-N 115.243 -0.889 . . . . 1.15 109.318 171.373 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -59.4 -45.79 94.92 Favored Glycine 0 N--CA 1.433 -1.509 0 CA-C-N 115.414 -0.812 . . . . 0.36 112.276 175.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.525 ' HB3' ' HA ' ' A' ' 66' ' ' LEU . 9.8 m-20 -65.85 -38.23 88.3 Favored 'General case' 0 CA--C 1.502 -0.901 0 CA-C-N 117.212 0.506 . . . . 1.79 110.969 -178.611 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.727 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -59.99 -58.68 7.51 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 108.995 -0.743 . . . . 1.08 108.995 175.495 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.461 HG22 ' HB ' ' A' ' 7' ' ' ILE . 93.1 m -48.55 -46.3 38.68 Favored 'General case' 0 C--O 1.205 -1.261 0 C-N-CA 124.51 1.124 . . . . 1.15 111.954 174.632 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.437 ' HB3' ' O ' ' A' ' 71' ' ' ASP . 82.2 tttt -53.96 -33.02 55.73 Favored 'General case' 0 C--N 1.297 -1.7 0 C-N-CA 126.63 1.972 . . . . 3.35 111.294 177.497 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.419 ' HB2' ' CD2' ' A' ' 66' ' ' LEU . 65.1 t80 -85.41 -47.82 9.6 Favored 'General case' 0 C--O 1.203 -1.366 0 N-CA-C 108.369 -0.975 . . . . 1.19 108.369 178.254 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.696 HG12 HD13 ' A' ' 58' ' ' ILE . 76.9 mt -60.27 -50.3 80.82 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.442 0 C-N-CA 124.701 1.2 . . . . 1.07 111.385 -177.402 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.1 tt -54.05 -35.83 62.42 Favored 'General case' 0 N--CA 1.482 1.143 0 CA-C-O 121.167 0.508 . . . . 1.76 109.99 178.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -83.03 -38.56 22.4 Favored 'General case' 0 C--N 1.298 -1.657 0 CA-C-N 114.821 -1.082 . . . . 0.67 111.577 -178.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 39.2 m-70 -91.78 5.7 48.87 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 114.676 1.362 . . . . 1.87 114.676 -175.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.506 ' NE2' HG23 ' A' ' 76' ' ' ILE . 84.6 mm-40 -44.19 145.07 0.83 Allowed 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.667 0.787 . . . . 1.31 111.148 173.736 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -0.897 0 N-CA-C 109.291 -0.633 . . . . 2.36 109.291 178.198 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' SHW . . . . . 0.802 H37A ' HA ' ' A' ' 40' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.439 ' HA ' ' HG3' ' A' ' 80' ' ' GLN . . . . . . . . 0 CA--C 1.514 -0.407 0 N-CA-C 109.436 -0.579 . . . . 2.5 109.436 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -127.86 174.17 9.37 Favored 'General case' 0 CA--C 1.489 -1.384 0 N-CA-C 106.259 -1.756 . . . . 1.39 106.259 -178.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.51 ' O ' HG13 ' A' ' 7' ' ' ILE . 1.9 m -74.6 126.31 30.53 Favored 'General case' 0 C--N 1.28 -2.453 0 N-CA-C 107.457 -1.312 . . . . 1.6 107.457 178.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -53.94 -37.08 63.5 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 112.341 0.497 . . . . 1.66 112.341 -174.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -68.58 -29.04 67.49 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-N 115.782 -0.645 . . . . 2.3 110.161 -177.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -72.15 -34.08 68.24 Favored 'General case' 0 C--N 1.314 -0.968 0 N-CA-C 108.141 -1.059 . . . . 1.92 108.141 -179.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.618 ' HB ' HG22 ' A' ' 73' ' ' THR . 15.4 mt -72.66 -52.58 22.44 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.597 0 CA-C-N 114.425 -1.261 . . . . 1.08 107.801 179.565 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.3 t -52.72 -43.23 43.97 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.822 0 CA-C-N 115.606 -0.724 . . . . 1.1 110.733 176.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.44 -39.38 93.71 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 122.618 0.367 . . . . 1.08 111.135 177.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.26 -42.29 97.91 Favored Glycine 0 N--CA 1.438 -1.188 0 N-CA-C 110.096 -1.202 . . . . 0.31 110.096 178.03 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.504 ' HA ' HD11 ' A' ' 14' ' ' ILE . 89.4 mt -65.37 -43.65 90.11 Favored 'General case' 0 C--N 1.309 -1.156 0 N-CA-C 110.179 -0.304 . . . . 1.02 110.179 176.279 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.448 ' HA ' HG11 ' A' ' 26' ' ' VAL . . . -55.11 -43.09 73.74 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 123.886 0.875 . . . . 1.08 111.809 -179.339 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -69.1 -35.57 76.59 Favored 'General case' 0 C--O 1.24 0.598 0 C-N-CA 119.771 -0.772 . . . . 1.46 112.884 178.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.504 HD11 ' HA ' ' A' ' 11' ' ' LEU . 93.6 mt -62.45 -51.61 70.14 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.133 0 N-CA-C 108.479 -0.934 . . . . 1.16 108.479 175.713 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.627 HG12 ' HB ' ' A' ' 21' ' ' ILE . 94.2 t -61.1 -42.62 93.93 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.065 0 CA-C-N 114.912 -1.04 . . . . 1.1 110.816 179.722 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -60.36 -33.65 72.74 Favored 'General case' 0 C--N 1.309 -1.161 0 CA-C-O 121.386 0.613 . . . . 0.64 110.411 179.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -79.33 -64.33 1.21 Allowed 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 115.269 -0.878 . . . . 2.0 111.542 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.486 HG21 ' HB2' ' A' ' 45' ' ' GLU . 81.3 mt -74.17 -52.25 20.91 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.204 0 CA-C-N 115.864 -0.607 . . . . 1.1 111.559 -173.323 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.577 ' HA ' HG23 ' A' ' 38' ' ' VAL . . . -78.21 -37.74 44.79 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-N 115.909 -0.587 . . . . 0.93 111.411 -176.184 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.26 32.61 22.44 Favored Glycine 0 C--O 1.242 0.622 0 N-CA-C 110.546 -1.021 . . . . 0.46 110.546 -177.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.627 ' HB ' HG12 ' A' ' 15' ' ' VAL . 49.3 mm -112.31 131.2 22.69 Favored Pre-proline 0 C--N 1.31 -1.116 0 N-CA-C 108.628 -0.878 . . . . 1.2 108.628 -179.412 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.47 ' HD2' ' HA ' ' A' ' 21' ' ' ILE . 2.7 Cg_exo -35.13 128.3 0.25 Allowed 'Trans proline' 0 C--O 1.237 0.467 1 C-N-CA 125.83 4.353 . . . . 0.47 115.282 175.807 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.4 ' HA ' ' HB3' ' A' ' 12' ' ' ALA . 92.6 t -56.6 -32.89 38.42 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.458 0 C-N-CA 124.575 1.15 . . . . 1.4 108.505 176.09 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.256 0.8 OUTLIER -85.55 -24.07 27.4 Favored 'General case' 0 N--CA 1.421 -1.906 0 CA-C-N 115.099 -0.955 . . . . 2.34 113.543 -177.385 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.533 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 28.3 t0 -81.57 -16.53 51.33 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-O 121.967 0.889 . . . . 0.69 109.094 178.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.675 HG12 HG13 ' A' ' 69' ' ' VAL . 54.7 t -76.86 78.55 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.323 0 CA-C-O 122.798 1.285 . . . . 1.17 107.792 172.707 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 58.0 mttp -85.21 -137.79 0.07 Allowed 'General case' 0 C--N 1.298 -1.663 0 CA-C-N 112.443 -2.162 . . . . 2.23 108.499 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.417 ' HA ' HG23 ' A' ' 69' ' ' VAL . 7.0 tt -121.85 -19.76 6.62 Favored 'General case' 0 C--N 1.309 -1.179 0 C-N-CA 119.738 -0.785 . . . . 1.7 110.858 -179.577 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -91.29 -1.07 57.74 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-O 123.001 1.381 . . . . 2.11 109.852 -178.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.629 ' O ' HG21 ' A' ' 69' ' ' VAL . 72.2 mmtt -85.31 110.0 18.77 Favored 'General case' 0 C--N 1.292 -1.916 0 N-CA-C 114.504 1.298 . . . . 1.65 114.504 -172.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.549 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 2.7 m -75.44 110.27 9.66 Favored 'General case' 0 N--CA 1.411 -2.385 0 N-CA-C 107.462 -1.31 . . . . 1.66 107.462 171.221 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.651 ' HA ' HD13 ' A' ' 36' ' ' LEU . 92.4 m-85 -36.52 -80.78 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.39 0 N-CA-C 114.104 1.15 . . . . 0.61 114.104 178.252 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.72 40.31 0.67 Allowed 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 114.857 1.429 . . . . 1.08 114.857 -179.614 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -155.24 -46.4 0.08 Allowed 'General case' 0 C--N 1.317 -0.813 0 C-N-CA 120.119 -0.632 . . . . 0.73 112.221 179.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -96.04 -50.51 4.82 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.078 -1.082 . . . . 1.46 108.078 178.125 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.651 HD13 ' HA ' ' A' ' 32' ' ' PHE . 96.8 mt -68.89 -49.09 61.19 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 109.056 -0.72 . . . . 1.12 109.056 177.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.0 t70 70.27 81.99 0.16 Allowed 'General case' 0 CA--C 1.508 -0.669 0 C-N-CA 124.685 1.194 . . . . 1.14 112.826 174.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.577 HG23 ' HA ' ' A' ' 19' ' ' ALA . 1.4 p -93.03 -87.29 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.297 -1.674 0 CA-C-N 115.481 -0.781 . . . . 2.39 109.625 173.192 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.543 ' H ' HG13 ' A' ' 38' ' ' VAL . 11.8 t70 -173.63 173.5 3.37 Favored 'General case' 0 N--CA 1.425 -1.718 0 N-CA-C 105.123 -2.177 . . . . 0.79 105.123 177.666 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.404 ' H ' ' CG ' ' A' ' 39' ' ' ASP . 38.5 t -85.67 -26.12 26.15 Favored 'General case' 0 C--N 1.257 -3.428 0 C-N-CA 124.113 0.965 . . . . 1.37 110.59 -171.233 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 56.4 mt -80.97 -43.02 20.3 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-O 120.964 0.411 . . . . 1.58 111.829 -175.122 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -66.82 -22.03 66.02 Favored 'General case' 0 C--N 1.311 -1.104 0 C-N-CA 123.925 0.89 . . . . 1.26 110.414 -175.467 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.416 ' O ' HG21 ' A' ' 47' ' ' VAL . 25.0 tpp -56.47 -41.05 75.9 Favored 'General case' 0 N--CA 1.441 -0.891 0 CA-C-N 114.684 -1.144 . . . . 1.22 113.067 -177.724 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 48.9 t -68.83 -29.21 42.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 C-N-CA 120.842 -0.343 . . . . 1.25 110.698 -177.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.486 ' HB2' HG21 ' A' ' 18' ' ' ILE . 19.0 mm-40 -72.99 -34.25 66.31 Favored 'General case' 0 N--CA 1.426 -1.628 0 N-CA-C 109.316 -0.624 . . . . 2.08 109.316 179.536 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 66.4 t -61.85 -47.03 95.14 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.239 0 N-CA-C 108.484 -0.932 . . . . 1.21 108.484 176.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.648 HG11 HG21 ' A' ' 63' ' ' VAL . 90.3 t -55.34 -64.4 0.47 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 O-C-N 123.914 0.759 . . . . 1.1 109.691 176.609 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.484 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 89.6 t -51.23 -42.62 26.71 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.229 0 C-N-CA 123.523 0.729 . . . . 1.36 112.945 178.647 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.33 -38.91 82.0 Favored 'General case' 0 C--N 1.318 -0.765 0 O-C-N 121.801 -0.562 . . . . 1.13 111.367 178.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.6 -36.18 79.97 Favored 'General case' 0 C--O 1.247 0.949 0 CA-C-O 120.785 0.326 . . . . 1.14 110.21 178.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.62 ' HG2' ' H ' ' A' ' 58' ' ' ILE . 54.3 mt-10 -53.56 -55.76 22.83 Favored 'General case' 0 N--CA 1.441 -0.877 0 CA-C-N 115.24 -0.891 . . . . 1.36 109.939 176.759 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -71.36 -35.41 71.12 Favored 'General case' 0 C--N 1.321 -0.668 0 O-C-N 123.835 0.709 . . . . 2.09 111.921 -178.189 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.2 tpp85 -64.83 -34.15 77.69 Favored 'General case' 0 CA--C 1.503 -0.839 0 CA-C-O 121.544 0.688 . . . . 3.27 110.812 -169.125 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.448 ' CD2' HD13 ' A' ' 76' ' ' ILE . 50.9 m-85 -115.9 -2.16 12.4 Favored 'General case' 0 C--N 1.296 -1.761 0 CA-C-N 115.036 -0.984 . . . . 1.11 110.001 -179.264 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.7 t0 56.88 23.35 8.05 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 125.323 1.449 . . . . 2.02 110.382 -176.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.449 HG11 HG13 ' A' ' 58' ' ' ILE . 6.6 p -81.63 -27.9 10.05 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.076 0 CA-C-N 114.42 -1.263 . . . . 1.87 111.331 -173.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 24.4 tptp 56.53 86.99 0.06 Allowed 'General case' 0 C--O 1.249 1.066 0 C-N-CA 124.782 1.233 . . . . 2.26 111.791 -177.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.655 HG21 HG22 ' A' ' 63' ' ' VAL . 25.2 mt -105.25 103.7 43.63 Favored Pre-proline 0 C--N 1.314 -0.94 0 N-CA-C 107.824 -1.176 . . . . 1.23 107.824 178.415 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -68.34 149.19 75.16 Favored 'Trans proline' 0 C--O 1.262 1.703 0 C-N-CA 121.033 1.155 . . . . 0.76 110.23 178.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.416 ' HA ' ' HB ' ' A' ' 63' ' ' VAL . 4.7 p-10 -49.37 -27.04 3.62 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.05 0.54 . . . . 2.0 111.633 176.494 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -56.4 -53.39 57.95 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.364 1.066 . . . . 2.09 112.256 175.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -74.87 -26.22 59.52 Favored 'General case' 0 N--CA 1.492 1.658 0 CA-C-O 121.77 0.795 . . . . 1.58 110.479 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.832 HG13 ' H5 ' ' A' ' 101' ' ' SHW . 3.2 t -60.44 -23.03 26.97 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.623 0 CA-C-N 114.622 -1.172 . . . . 1.39 111.632 175.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -69.86 -8.67 50.43 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-O 120.904 0.383 . . . . 2.97 111.399 178.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -108.66 -14.94 14.52 Favored 'General case' 0 C--N 1.315 -0.931 0 N-CA-C 108.181 -1.044 . . . . 2.62 108.181 -178.275 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.772 ' HA ' ' OD2' ' A' ' 71' ' ' ASP . 52.0 mt -91.74 140.77 29.37 Favored 'General case' 0 N--CA 1.428 -1.543 0 N-CA-C 106.608 -1.626 . . . . 1.67 106.608 178.384 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.98 -21.87 0.95 Allowed 'General case' 0 C--N 1.267 -3.012 0 N-CA-C 113.152 0.797 . . . . 3.58 113.152 178.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.549 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 19.1 p -117.99 165.94 13.11 Favored 'General case' 0 N--CA 1.431 -1.399 0 C-N-CA 119.995 -0.682 . . . . 1.09 111.263 178.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.675 HG13 HG12 ' A' ' 26' ' ' VAL . 2.1 m -58.46 -44.34 88.7 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.238 0 CA-C-N 114.9 -1.046 . . . . 1.15 110.473 173.501 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -70.54 -31.96 67.9 Favored Glycine 0 N--CA 1.43 -1.764 0 CA-C-N 115.879 -0.6 . . . . 0.36 112.252 179.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.772 ' OD2' ' HA ' ' A' ' 66' ' ' LEU . 34.9 t0 -69.44 -43.92 72.35 Favored 'General case' 0 CA--C 1.512 -0.506 0 N-CA-C 108.902 -0.777 . . . . 1.79 108.902 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.508 ' HA ' HD12 ' A' ' 66' ' ' LEU . . . -57.43 -56.06 26.73 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 115.428 -0.805 . . . . 1.08 108.859 175.795 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.618 HG22 ' HB ' ' A' ' 7' ' ' ILE . 54.8 m -47.64 -47.34 29.25 Favored 'General case' 0 C--O 1.195 -1.788 0 C-N-CA 124.235 1.014 . . . . 1.15 112.367 173.549 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.2 tptm -60.79 -36.78 79.86 Favored 'General case' 0 C--N 1.318 -0.768 0 C-N-CA 122.767 0.427 . . . . 3.35 110.988 -178.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.478 ' HB2' HD23 ' A' ' 66' ' ' LEU . 67.1 t80 -70.04 -41.62 73.99 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.114 -0.699 . . . . 1.19 109.114 178.275 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.652 HG12 HD13 ' A' ' 58' ' ' ILE . 66.2 mt -67.44 -44.44 86.85 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.643 0 CA-C-N 115.42 -0.809 . . . . 1.07 109.364 179.754 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 42.8 tp -50.05 -40.11 44.12 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 124.828 1.251 . . . . 1.76 110.02 176.125 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -83.51 -37.67 22.78 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-N 114.693 -1.14 . . . . 0.67 111.689 -177.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -94.65 5.5 51.67 Favored 'General case' 0 C--N 1.308 -1.2 0 N-CA-C 115.061 1.504 . . . . 1.87 115.061 -174.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.469 ' NE2' HG21 ' A' ' 76' ' ' ILE . 80.7 mm-40 -37.79 134.09 0.76 Allowed 'General case' 0 N--CA 1.493 1.676 0 C-N-CA 124.775 1.23 . . . . 1.31 113.631 179.36 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.434 -1.242 0 N-CA-C 108.509 -0.923 . . . . 2.36 108.509 177.723 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' SHW . . . . . 0.832 ' H5 ' HG13 ' A' ' 63' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.49 ' HA ' ' OE1' ' A' ' 80' ' ' GLN . . . . . . . . 0 CA--C 1.513 -0.476 0 N-CA-C 108.918 -0.771 . . . . 2.5 108.918 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -153.18 159.49 42.69 Favored 'General case' 0 CA--C 1.479 -1.775 0 N-CA-C 108.662 -0.866 . . . . 1.39 108.662 -178.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.5 m -73.27 135.37 44.44 Favored 'General case' 0 N--CA 1.414 -2.24 0 N-CA-C 106.521 -1.659 . . . . 1.6 106.521 177.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.619 ' HA ' HD11 ' A' ' 7' ' ' ILE . 24.6 mt-30 -52.07 -25.9 9.76 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 113.402 0.89 . . . . 1.66 113.402 -177.302 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -64.62 -38.75 92.07 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 116.028 -0.533 . . . . 2.3 109.695 177.392 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -81.81 -25.16 35.44 Favored 'General case' 0 N--CA 1.429 -1.505 0 CA-C-N 115.886 -0.597 . . . . 1.92 110.053 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.619 HD11 ' HA ' ' A' ' 4' ' ' GLN . 49.8 mt -66.42 -59.58 3.74 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.902 0 N-CA-C 108.021 -1.103 . . . . 1.08 108.021 176.332 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.557 HG22 HD12 ' A' ' 28' ' ' LEU . 98.0 t -55.65 -37.33 45.85 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.852 0 CA-C-N 116.268 -0.424 . . . . 1.1 110.615 175.662 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.07 -42.81 96.87 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 120.883 0.373 . . . . 1.08 110.361 177.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.432 ' HA2' ' HG2' ' A' ' 13' ' ' GLU . . . -62.69 -43.84 98.38 Favored Glycine 0 C--O 1.211 -1.294 0 N-CA-C 110.64 -0.984 . . . . 0.31 110.64 177.013 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.46 ' O ' HG23 ' A' ' 15' ' ' VAL . 85.4 mt -58.36 -47.28 84.31 Favored 'General case' 0 N--CA 1.435 -1.214 0 N-CA-C 110.076 -0.342 . . . . 1.02 110.076 176.028 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.93 -44.56 86.99 Favored 'General case' 0 C--N 1.319 -0.737 0 C-N-CA 123.851 0.86 . . . . 1.08 112.055 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.432 ' HG2' ' HA2' ' A' ' 10' ' ' GLY . 13.1 pt-20 -67.12 -38.13 85.08 Favored 'General case' 0 C--O 1.243 0.752 0 C-N-CA 120.748 -0.381 . . . . 1.46 111.555 -179.29 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 90.9 mt -64.41 -47.17 90.59 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.15 0 CA-C-N 115.572 -0.74 . . . . 1.16 109.503 176.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 11' ' ' LEU . 77.3 t -57.12 -44.42 83.19 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.626 0 CA-C-N 116.051 -0.522 . . . . 1.1 110.646 176.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -63.82 -33.77 76.42 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 122.178 -0.326 . . . . 0.64 111.711 -179.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -79.89 -41.66 25.74 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 116.258 -0.428 . . . . 2.0 112.036 -179.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.796 HG21 ' HB3' ' A' ' 42' ' ' SER . 79.2 mt -92.26 -53.32 8.83 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.938 0 O-C-N 122.116 -0.365 . . . . 1.1 111.979 -177.129 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.762 ' HB1' HG11 ' A' ' 38' ' ' VAL . . . -75.57 -39.08 58.65 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.079 0.466 . . . . 0.93 110.181 -178.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 92.58 16.46 49.06 Favored Glycine 0 C--O 1.239 0.44 0 CA-C-N 115.385 -0.825 . . . . 0.46 111.187 -178.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.449 ' HA ' ' HD2' ' A' ' 22' ' ' PRO . 49.3 mm -99.68 135.46 20.55 Favored Pre-proline 0 C--N 1.312 -1.055 0 CA-C-N 115.212 -0.494 . . . . 1.2 109.907 -176.284 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.449 ' HD2' ' HA ' ' A' ' 21' ' ' ILE . 3.9 Cg_exo -34.8 128.12 0.22 Allowed 'Trans proline' 0 C--N 1.354 0.848 1 C-N-CA 125.444 4.096 . . . . 0.47 115.136 175.377 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 87.8 t -60.58 -32.91 52.72 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.497 0 CA-C-N 114.151 -1.386 . . . . 1.4 107.347 177.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.487 ' O ' ' HE2' ' A' ' 27' ' ' LYS . 43.8 mt-10 -92.67 5.25 51.71 Favored 'General case' 0 N--CA 1.411 -2.375 0 CA-C-N 113.49 -1.686 . . . . 2.34 112.863 -173.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.412 ' O ' ' HE3' ' A' ' 30' ' ' LYS . 33.2 t70 -102.04 -12.75 17.91 Favored 'General case' 0 C--N 1.311 -1.07 0 N-CA-C 107.379 -1.341 . . . . 0.69 107.379 171.699 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.442 HG23 HD11 ' A' ' 36' ' ' LEU . 89.3 t -80.09 72.13 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.904 0 CA-C-O 122.839 1.304 . . . . 1.17 108.985 178.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.708 ' O ' HG21 ' A' ' 69' ' ' VAL . 76.0 mmtt -84.3 168.29 15.79 Favored 'General case' 0 N--CA 1.417 -2.099 0 CA-C-N 113.468 -1.696 . . . . 2.23 107.27 176.699 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.557 HD12 HG22 ' A' ' 8' ' ' VAL . 7.5 tt -80.89 -4.4 54.72 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 113.129 0.788 . . . . 1.7 113.129 -169.725 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.0 p-10 -110.69 18.03 20.06 Favored 'General case' 0 C--N 1.275 -2.668 0 CA-C-O 121.813 0.815 . . . . 2.11 108.823 -179.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.562 ' O ' HG23 ' A' ' 69' ' ' VAL . 72.6 mmtt -97.7 141.98 30.05 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.284 -0.871 . . . . 1.65 112.263 -178.473 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.1 t -102.15 118.17 36.33 Favored 'General case' 0 C--N 1.294 -1.812 0 N-CA-C 107.347 -1.353 . . . . 1.66 107.347 170.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.738 ' HA ' HD12 ' A' ' 36' ' ' LEU . 93.0 m-85 -34.22 -82.63 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 114.137 1.162 . . . . 0.61 114.137 175.335 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.591 HG21 ' HB ' ' A' ' 38' ' ' VAL . 0.4 OUTLIER -80.0 49.41 1.08 Allowed 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 115.407 1.632 . . . . 1.08 115.407 -178.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -161.12 -64.59 0.06 Allowed 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 116.01 -0.541 . . . . 0.73 109.685 177.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -77.8 -46.3 21.98 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 115.642 -0.708 . . . . 1.46 110.631 -179.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.738 HD12 ' HA ' ' A' ' 32' ' ' PHE . 84.1 mt -80.85 -47.13 14.23 Favored 'General case' 0 C--N 1.31 -1.144 0 CA-C-N 115.576 -0.738 . . . . 1.12 109.91 -179.352 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.7 t70 78.34 90.09 0.06 Allowed 'General case' 0 CA--C 1.506 -0.741 0 C-N-CA 126.435 1.894 . . . . 1.14 110.057 -177.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.762 HG11 ' HB1' ' A' ' 19' ' ' ALA . 94.2 t -92.19 -92.08 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.297 -1.696 0 CA-C-N 114.489 -1.232 . . . . 2.39 109.012 -177.525 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.9 t70 171.27 175.27 0.07 Allowed 'General case' 0 C--N 1.294 -1.815 0 N-CA-C 103.371 -2.826 . . . . 0.79 103.371 -178.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.564 ' HA ' H37A ' A' ' 101' ' ' SHW . 8.8 t -95.4 -32.0 13.13 Favored 'General case' 0 C--N 1.268 -2.967 0 N-CA-C 108.388 -0.967 . . . . 1.37 108.388 -176.03 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 83.9 mt -83.9 -36.92 23.0 Favored 'General case' 0 C--N 1.306 -1.307 0 N-CA-C 108.734 -0.839 . . . . 1.58 108.734 -178.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.796 ' HB3' HG21 ' A' ' 18' ' ' ILE . 19.3 m -70.86 -28.19 64.39 Favored 'General case' 0 N--CA 1.43 -1.46 0 CA-C-N 114.433 -1.258 . . . . 1.26 110.199 -178.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.632 ' HE3' ' HB3' ' A' ' 32' ' ' PHE . 26.6 tpp -56.5 -48.71 76.6 Favored 'General case' 0 CA--C 1.511 -0.535 0 O-C-N 123.473 0.483 . . . . 1.22 110.589 178.458 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 44.2 t -61.87 -33.18 56.7 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.726 0 CA-C-N 115.077 -0.965 . . . . 1.25 110.202 -178.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -74.13 -35.09 64.07 Favored 'General case' 0 N--CA 1.425 -1.723 0 N-CA-C 109.317 -0.623 . . . . 2.08 109.317 -178.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 42' ' ' SER . 77.3 t -63.69 -46.24 95.19 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 N-CA-C 108.598 -0.89 . . . . 1.21 108.598 176.143 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.639 HG21 HG22 ' A' ' 63' ' ' VAL . 88.7 t -53.75 -61.83 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 115.833 -0.621 . . . . 1.1 109.424 176.338 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 76.1 t -49.42 -44.55 18.4 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.303 0 C-N-CA 123.128 0.571 . . . . 1.36 112.134 175.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.87 -29.26 69.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 122.071 -0.393 . . . . 1.13 112.008 -178.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.54 -37.45 86.75 Favored 'General case' 0 C--O 1.24 0.556 0 N-CA-C 109.698 -0.482 . . . . 1.14 109.698 177.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.57 ' HG2' ' H ' ' A' ' 58' ' ' ILE . 36.5 mt-10 -64.29 -40.31 95.7 Favored 'General case' 0 CA--C 1.506 -0.735 0 CA-C-O 121.865 0.841 . . . . 1.36 109.475 177.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -76.5 -27.65 56.13 Favored 'General case' 0 C--N 1.298 -1.658 0 CA-C-N 114.784 -1.098 . . . . 2.09 111.258 -176.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.9 tpm_? -88.04 -47.07 8.8 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-O 120.826 0.346 . . . . 3.27 110.846 -177.017 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.519 ' HB2' HG13 ' A' ' 56' ' ' VAL . 20.1 m-85 -97.0 -9.54 28.0 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 112.409 0.522 . . . . 1.11 112.409 -173.179 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.3 t70 73.2 8.46 5.29 Favored 'General case' 0 N--CA 1.491 1.613 0 C-N-CA 125.137 1.375 . . . . 2.02 111.807 178.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.555 ' O ' ' HA ' ' A' ' 51' ' ' GLU . 7.4 p -98.66 131.25 46.19 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.397 0 CA-C-N 115.444 -0.798 . . . . 1.87 109.839 179.259 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -77.25 113.22 14.78 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-N 116.049 -0.523 . . . . 2.26 111.032 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.679 HD12 HG12 ' A' ' 76' ' ' ILE . 30.4 mt -129.86 100.34 19.33 Favored Pre-proline 0 C--N 1.305 -1.351 0 N-CA-C 107.057 -1.46 . . . . 1.23 107.057 179.188 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -88.14 161.37 7.15 Favored 'Trans proline' 0 N--CA 1.435 -1.955 0 C-N-CA 121.371 1.381 . . . . 0.76 111.557 178.054 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.6 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 3.9 t70 -48.49 -33.18 9.0 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.498 0.719 . . . . 2.0 111.75 173.082 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -54.06 -50.15 67.41 Favored 'General case' 0 C--N 1.317 -0.845 0 C-N-CA 123.232 0.613 . . . . 2.09 110.952 177.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -85.37 -30.83 23.33 Favored 'General case' 0 CA--C 1.483 -1.628 0 CA-C-N 115.681 -0.69 . . . . 1.58 111.508 -176.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.639 HG22 HG21 ' A' ' 47' ' ' VAL . 0.4 OUTLIER -59.19 -22.91 23.3 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.162 0 O-C-N 123.795 0.684 . . . . 1.39 111.641 -175.616 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.71 ' HA ' ' S1 ' ' A' ' 101' ' ' SHW . 60.8 mttm -67.75 -8.46 35.72 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.612 -0.722 . . . . 2.97 112.74 -179.125 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 -102.44 1.73 35.63 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 122.971 0.508 . . . . 2.62 110.577 -178.069 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.706 HD12 ' HA ' ' A' ' 72' ' ' ALA . 71.4 mt -97.99 -65.69 0.95 Allowed 'General case' 0 C--N 1.311 -1.066 0 C-N-CA 120.296 -0.562 . . . . 1.67 112.262 -173.601 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.784 ' H ' ' H3 ' ' A' ' 101' ' ' SHW 0.465 0.0 OUTLIER 61.42 -22.14 0.04 OUTLIER 'General case' 0 N--CA 1.505 2.304 0 N-CA-C 117.95 2.574 . . . . 3.58 117.95 179.409 . . . . . . . . 4 4 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -128.33 157.18 41.7 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 121.793 -0.567 . . . . 1.09 111.529 175.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.708 HG21 ' O ' ' A' ' 27' ' ' LYS . 6.9 m -57.4 -51.45 69.5 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 C-N-CA 123.658 0.783 . . . . 1.15 112.585 -178.227 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.461 ' H ' HG22 ' A' ' 69' ' ' VAL . . . -61.6 -33.99 86.94 Favored Glycine 0 C--O 1.211 -1.294 0 N-CA-C 112.312 -0.315 . . . . 0.36 112.312 179.235 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -73.71 -37.31 65.2 Favored 'General case' 0 C--N 1.312 -1.057 0 C-N-CA 122.024 0.13 . . . . 1.79 110.733 179.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.706 ' HA ' HD12 ' A' ' 66' ' ' LEU . . . -58.96 -55.92 28.92 Favored 'General case' 0 CA--C 1.517 -0.318 0 N-CA-C 107.945 -1.131 . . . . 1.08 107.945 173.334 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 87.3 m -48.62 -42.14 33.16 Favored 'General case' 0 C--O 1.208 -1.123 0 C-N-CA 125.162 1.385 . . . . 1.15 112.129 173.065 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 45.8 tptt -60.69 -38.02 83.57 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 122.924 0.49 . . . . 3.35 110.519 -179.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.432 ' O ' ' HB2' ' A' ' 79' ' ' HIS . 63.3 t80 -72.56 -44.79 61.62 Favored 'General case' 0 C--O 1.214 -0.795 0 N-CA-C 108.003 -1.11 . . . . 1.19 108.003 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.679 HG12 HD12 ' A' ' 58' ' ' ILE . 80.2 mt -59.55 -50.93 78.1 Favored 'Isoleucine or valine' 0 C--O 1.194 -1.826 0 C-N-CA 124.678 1.191 . . . . 1.07 110.051 178.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.535 ' HA ' HE21 ' A' ' 80' ' ' GLN . 3.3 tm? -59.49 -34.35 72.47 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.083 0.468 . . . . 1.76 110.796 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -79.6 -39.47 31.58 Favored 'General case' 0 C--N 1.289 -2.059 0 CA-C-O 121.738 0.78 . . . . 0.67 110.934 -179.181 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.432 ' HB2' ' O ' ' A' ' 75' ' ' TYR . 9.2 m-70 -90.82 5.22 49.3 Favored 'General case' 0 C--N 1.296 -1.733 0 CA-C-N 114.778 -1.101 . . . . 1.87 113.017 -176.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.535 HE21 ' HA ' ' A' ' 77' ' ' LEU . 59.5 mm-40 -36.97 127.67 0.9 Allowed 'General case' 0 C--O 1.244 0.785 0 N-CA-C 115.661 1.726 . . . . 1.31 115.661 178.716 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.414 -2.228 0 N-CA-C 106.902 -1.518 . . . . 2.36 106.902 173.036 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' SHW . . . . . 0.784 ' H3 ' ' H ' ' A' ' 67' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.511 -0.555 0 N-CA-C 108.981 -0.748 . . . . 2.5 108.981 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -110.19 144.19 39.2 Favored 'General case' 0 CA--C 1.479 -1.776 0 N-CA-C 106.422 -1.696 . . . . 1.39 106.422 179.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.597 ' O ' HG13 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -62.82 123.07 17.52 Favored 'General case' 0 C--N 1.287 -2.115 0 O-C-N 124.006 0.816 . . . . 1.6 108.879 -177.043 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.405 ' HA ' HD12 ' A' ' 7' ' ' ILE . 52.7 mt-30 -52.45 -34.0 46.82 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.391 0.677 . . . . 1.66 112.185 -175.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -71.42 -32.11 68.01 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.641 -0.709 . . . . 2.3 109.63 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -78.8 -30.42 45.46 Favored 'General case' 0 C--N 1.306 -1.304 0 CA-C-N 114.903 -1.044 . . . . 1.92 108.987 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.597 HG13 ' O ' ' A' ' 3' ' ' THR . 38.7 mt -67.66 -55.76 15.79 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.295 0 N-CA-C 108.167 -1.049 . . . . 1.08 108.167 176.096 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.435 HG22 HD12 ' A' ' 28' ' ' LEU . 71.9 t -57.31 -35.02 47.48 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.142 0 CA-C-N 116.362 -0.381 . . . . 1.1 111.197 176.699 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.12 -39.05 75.7 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-O 121.012 0.434 . . . . 1.08 110.046 177.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.81 -44.47 94.69 Favored Glycine 0 CA--C 1.49 -1.469 0 N-CA-C 110.12 -1.192 . . . . 0.31 110.12 178.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.514 ' O ' HG22 ' A' ' 15' ' ' VAL . 92.1 mt -58.98 -43.41 91.38 Favored 'General case' 0 C--N 1.308 -1.23 0 N-CA-C 110.35 -0.241 . . . . 1.02 110.35 175.584 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.617 ' HA ' HG13 ' A' ' 26' ' ' VAL . . . -58.64 -43.31 89.72 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 123.059 0.544 . . . . 1.08 112.212 179.433 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -68.2 -37.23 80.69 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.3 -0.56 . . . . 1.46 111.562 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 89.6 mt -61.25 -46.36 96.78 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 CA-C-N 115.493 -0.776 . . . . 1.16 109.16 174.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.514 HG22 ' O ' ' A' ' 11' ' ' LEU . 77.9 t -60.66 -45.58 97.23 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.174 0 CA-C-N 115.713 -0.676 . . . . 1.1 111.05 178.647 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -65.07 -32.74 74.6 Favored 'General case' 0 C--N 1.303 -1.42 0 CA-C-O 121.349 0.595 . . . . 0.64 111.079 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -70.58 -54.32 12.52 Favored 'General case' 0 C--N 1.304 -1.384 0 C-N-CA 123.761 0.825 . . . . 2.0 111.562 177.042 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.627 HG23 ' HB2' ' A' ' 45' ' ' GLU . 66.2 mt -91.23 -52.87 9.66 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.914 0 N-CA-C 112.736 0.643 . . . . 1.1 112.736 -173.199 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.441 ' CB ' HG13 ' A' ' 38' ' ' VAL . . . -73.38 -43.12 61.25 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.442 0.639 . . . . 0.93 109.564 -179.264 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 90.73 37.59 6.41 Favored Glycine 0 N--CA 1.443 -0.873 0 CA-C-N 115.134 -0.939 . . . . 0.46 110.845 -178.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.453 ' HA ' ' HD2' ' A' ' 22' ' ' PRO . 47.6 mm -116.82 137.68 23.96 Favored Pre-proline 0 C--N 1.318 -0.779 0 N-CA-C 109.001 -0.74 . . . . 1.2 109.001 -177.445 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.469 ' O ' HG21 ' A' ' 26' ' ' VAL . 6.5 Cg_exo -33.04 128.69 0.12 Allowed 'Trans proline' 0 C--N 1.364 1.387 1 C-N-CA 125.482 4.121 . . . . 0.47 114.818 175.001 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.4 t -67.27 -5.74 4.07 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 CA-C-O 122.683 1.23 . . . . 1.4 109.488 -179.141 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.41 ' H ' ' C ' ' A' ' 22' ' ' PRO . 13.3 pt-20 -110.24 -9.4 14.67 Favored 'General case' 0 N--CA 1.407 -2.59 0 CA-C-N 114.933 -1.031 . . . . 2.34 112.017 -177.015 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -92.68 -17.63 24.03 Favored 'General case' 0 CA--C 1.496 -1.105 0 N-CA-C 107.736 -1.209 . . . . 0.69 107.736 179.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.617 HG13 ' HA ' ' A' ' 12' ' ' ALA . 25.0 t -82.96 61.6 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.313 -1.004 0 CA-C-N 114.321 -1.309 . . . . 1.17 108.959 -178.589 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.631 ' O ' HG23 ' A' ' 69' ' ' VAL . 28.6 pttt -91.76 172.42 8.49 Favored 'General case' 0 N--CA 1.422 -1.864 0 CA-C-N 114.071 -1.422 . . . . 2.23 108.081 176.084 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.559 ' HA ' HG21 ' A' ' 69' ' ' VAL . 3.3 tt -68.85 -2.46 9.63 Favored 'General case' 0 CA--C 1.555 1.17 0 N-CA-C 113.816 1.043 . . . . 1.7 113.816 -167.234 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -85.45 -15.79 41.82 Favored 'General case' 0 C--N 1.284 -2.255 0 C-N-CA 125.164 1.386 . . . . 2.11 109.964 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.44 ' HB3' ' HG ' ' A' ' 36' ' ' LEU . 60.0 mmtt -82.23 126.09 31.69 Favored 'General case' 0 C--N 1.298 -1.655 0 N-CA-C 116.055 1.872 . . . . 1.65 116.055 -168.123 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.7 p -95.02 22.16 6.9 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 113.748 -1.569 . . . . 1.66 112.458 -178.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.588 ' HB3' ' HE1' ' A' ' 43' ' ' MET . 65.9 m-85 58.15 -108.55 0.42 Allowed 'General case' 0 C--O 1.246 0.88 0 N-CA-C 113.442 0.905 . . . . 0.61 113.442 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.537 HG21 ' HB ' ' A' ' 38' ' ' VAL . 1.5 p -74.95 56.33 0.74 Allowed 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 121.792 0.806 . . . . 1.08 112.765 178.691 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -161.23 -48.69 0.04 OUTLIER 'General case' 0 C--N 1.299 -1.623 0 CA-C-N 114.781 -1.1 . . . . 0.73 109.317 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -108.24 -41.56 4.86 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.516 -0.473 . . . . 1.46 111.351 -179.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.473 HD11 ' HA ' ' A' ' 32' ' ' PHE . 96.1 mt -76.21 -39.91 53.49 Favored 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 109.883 -0.414 . . . . 1.12 109.883 178.106 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.3 t70 69.92 93.47 0.08 Allowed 'General case' 0 CA--C 1.503 -0.835 0 C-N-CA 125.082 1.353 . . . . 1.14 108.618 -178.181 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.537 ' HB ' HG21 ' A' ' 33' ' ' THR . 75.1 t -106.49 -92.62 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.288 -2.088 0 CA-C-N 114.077 -1.42 . . . . 2.39 110.111 -170.587 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.1 t70 164.77 -175.49 0.02 OUTLIER 'General case' 0 CA--C 1.506 -0.736 0 N-CA-C 103.032 -2.951 . . . . 0.79 103.032 -177.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.428 ' O ' HG23 ' A' ' 44' ' ' VAL . 41.0 p -108.92 -29.76 8.45 Favored 'General case' 0 C--N 1.276 -2.62 0 CA-C-N 118.392 0.542 . . . . 1.37 110.745 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.449 ' O ' ' HG2' ' A' ' 45' ' ' GLU . 76.2 mt -71.99 -36.68 69.85 Favored 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 106.639 -1.615 . . . . 1.58 106.639 178.27 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.513 ' O ' HG22 ' A' ' 46' ' ' VAL . 33.5 t -71.92 -37.8 69.98 Favored 'General case' 0 N--CA 1.415 -2.203 0 CA-C-N 113.284 -1.78 . . . . 1.26 108.469 177.481 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.588 ' HE1' ' HB3' ' A' ' 32' ' ' PHE . 29.9 tpp -57.99 -47.79 81.94 Favored 'General case' 0 CA--C 1.519 -0.22 0 C-N-CA 123.249 0.62 . . . . 1.22 111.331 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.492 ' O ' HG22 ' A' ' 48' ' ' VAL . 83.9 t -60.2 -41.47 86.91 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.11 0 CA-C-N 115.414 -0.812 . . . . 1.25 110.054 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.627 ' HB2' HG23 ' A' ' 18' ' ' ILE . 10.7 mm-40 -67.18 -35.38 79.52 Favored 'General case' 0 N--CA 1.444 -0.753 0 O-C-N 123.348 0.405 . . . . 2.08 109.917 -179.582 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.513 HG22 ' O ' ' A' ' 42' ' ' SER . 92.7 t -60.77 -45.48 97.77 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 N-CA-C 109.596 -0.52 . . . . 1.21 109.596 176.38 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.534 HG21 HG22 ' A' ' 63' ' ' VAL . 45.8 t -56.49 -61.69 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 N-CA-C 108.306 -0.998 . . . . 1.1 108.306 175.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.492 HG22 ' O ' ' A' ' 44' ' ' VAL . 93.4 t -40.47 -58.1 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.055 0 O-C-N 124.445 1.091 . . . . 1.36 111.55 173.537 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.94 -36.13 82.95 Favored 'General case' 0 C--O 1.21 -1.006 0 N-CA-C 112.798 0.666 . . . . 1.13 112.798 -177.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.15 -42.52 98.7 Favored 'General case' 0 C--O 1.25 1.122 0 N-CA-C 109.904 -0.406 . . . . 1.14 109.904 177.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.572 ' HG2' ' H ' ' A' ' 58' ' ' ILE . 45.0 mt-10 -59.98 -44.36 94.54 Favored 'General case' 0 C--O 1.21 -0.985 0 CA-C-N 115.221 -0.899 . . . . 1.36 109.794 177.616 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -77.55 -26.12 50.7 Favored 'General case' 0 C--N 1.306 -1.322 0 N-CA-C 112.788 0.662 . . . . 2.09 112.788 -176.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 17.0 tpt85 -83.07 -34.86 26.08 Favored 'General case' 0 C--N 1.307 -1.266 0 CA-C-O 120.767 0.318 . . . . 3.27 111.195 -174.204 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.521 ' CD2' HD13 ' A' ' 76' ' ' ILE . 36.0 m-85 -112.6 -1.24 14.91 Favored 'General case' 0 C--N 1.305 -1.345 0 C-N-CA 120.281 -0.567 . . . . 1.11 111.054 -177.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 65.06 16.38 10.53 Favored 'General case' 0 N--CA 1.493 1.676 0 C-N-CA 125.235 1.414 . . . . 2.02 112.905 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.517 HG13 ' HB2' ' A' ' 54' ' ' PHE . 5.8 p -100.98 122.53 53.15 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.5 0 CA-C-N 115.359 -0.837 . . . . 1.87 110.41 -177.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 49.1 tptt -64.84 104.56 0.86 Allowed 'General case' 0 C--N 1.296 -1.731 0 CA-C-N 115.258 -0.883 . . . . 2.26 110.476 175.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.663 HD11 HG12 ' A' ' 76' ' ' ILE . 51.0 mt -115.98 99.08 52.28 Favored Pre-proline 0 C--N 1.305 -1.366 0 N-CA-C 106.305 -1.739 . . . . 1.23 106.305 175.541 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.504 ' HD2' ' HB2' ' A' ' 62' ' ' ASP . 7.9 Cg_exo -70.04 142.79 47.61 Favored 'Trans proline' 0 N--CA 1.443 -1.446 0 C-N-CA 121.53 1.487 . . . . 0.76 111.924 -177.808 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.406 ' O ' HG13 ' A' ' 63' ' ' VAL . 4.1 m-20 -44.13 -25.13 0.2 Allowed 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 124.784 1.234 . . . . 2.0 112.171 170.638 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -73.13 -59.32 2.76 Favored 'General case' 0 C--N 1.317 -0.829 0 C-N-CA 123.289 0.636 . . . . 2.09 109.94 176.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.504 ' HB2' ' HD2' ' A' ' 59' ' ' PRO . 76.0 m-20 -66.73 -31.05 71.46 Favored 'General case' 0 CA--C 1.481 -1.71 0 CA-C-N 116.046 -0.525 . . . . 1.58 111.769 -176.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.534 HG22 HG21 ' A' ' 47' ' ' VAL . 2.9 p -61.16 -23.52 30.33 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.396 0 O-C-N 123.544 0.527 . . . . 1.39 110.977 -178.214 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 42.1 mttm -71.87 -19.73 61.91 Favored 'General case' 0 C--N 1.347 0.476 0 CA-C-O 121.564 0.697 . . . . 2.97 110.147 -179.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 -88.98 -18.79 26.68 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-N 115.519 -0.764 . . . . 2.62 110.446 -177.574 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.788 HD13 ' HA ' ' A' ' 72' ' ' ALA . 64.2 mt -76.52 -66.9 0.75 Allowed 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 115.69 -0.686 . . . . 1.67 109.286 -178.094 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.491 ' HA ' ' H3 ' ' A' ' 101' ' ' SHW 0.29 38.6 mmtt 71.84 -39.55 0.45 Allowed 'General case' 0 C--N 1.314 -0.975 0 N-CA-C 116.397 1.999 . . . . 3.58 116.397 178.165 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 17.8 p -111.61 156.27 22.05 Favored 'General case' 0 C--N 1.264 -3.112 0 C-N-CA 119.281 -0.968 . . . . 1.09 111.402 179.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.631 HG23 ' O ' ' A' ' 27' ' ' LYS . 4.0 m -52.23 -47.71 44.47 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.577 0 CA-C-N 114.382 -1.281 . . . . 1.15 110.879 176.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.456 ' CA ' ' HG ' ' A' ' 28' ' ' LEU . . . -69.18 -31.57 72.02 Favored Glycine 0 N--CA 1.439 -1.115 0 CA-C-N 116.127 -0.488 . . . . 0.36 113.591 -179.296 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -74.28 -38.37 63.42 Favored 'General case' 0 CA--C 1.505 -0.784 0 N-CA-C 107.843 -1.169 . . . . 1.79 107.843 -179.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.788 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -58.87 -54.38 47.76 Favored 'General case' 0 C--O 1.212 -0.883 0 CA-C-N 114.918 -1.037 . . . . 1.08 108.556 174.64 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.564 ' HA ' HG23 ' A' ' 7' ' ' ILE . 96.9 m -48.37 -48.27 36.82 Favored 'General case' 0 C--O 1.195 -1.78 0 C-N-CA 123.953 0.901 . . . . 1.15 112.15 173.466 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.8 ttpp -55.91 -40.17 72.67 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 118.301 0.501 . . . . 3.35 111.267 177.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.557 ' O ' ' HB2' ' A' ' 79' ' ' HIS . 69.9 t80 -69.72 -47.28 63.69 Favored 'General case' 0 C--O 1.21 -1.008 0 N-CA-C 108.452 -0.944 . . . . 1.19 108.452 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.663 HG12 HD11 ' A' ' 58' ' ' ILE . 96.0 mt -59.71 -51.63 70.57 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.958 0 CA-C-N 115.357 -0.838 . . . . 1.07 110.087 179.257 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.486 ' HA ' HE21 ' A' ' 80' ' ' GLN . 27.2 tp -52.84 -43.09 65.77 Favored 'General case' 0 C--N 1.316 -0.85 0 C-N-CA 124.195 0.998 . . . . 1.76 111.379 -179.255 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -85.47 -41.63 15.19 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 123.718 0.636 . . . . 0.67 112.11 -174.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.557 ' HB2' ' O ' ' A' ' 75' ' ' TYR . 0.2 OUTLIER -72.14 -55.77 6.72 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-N 115.854 -0.612 . . . . 1.87 110.408 -176.901 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.486 HE21 ' HA ' ' A' ' 77' ' ' LEU . 86.3 mm-40 49.22 -172.69 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.083 0.953 . . . . 1.31 112.797 -174.67 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.293 -1.866 0 N-CA-C 107.35 -1.352 . . . . 2.36 107.35 173.401 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' SHW . . . . . 0.491 ' H3 ' ' HA ' ' A' ' 67' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.509 -0.626 0 N-CA-C 109.034 -0.728 . . . . 2.5 109.034 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -130.45 154.07 48.13 Favored 'General case' 0 CA--C 1.476 -1.882 0 N-CA-C 108.489 -0.93 . . . . 1.39 108.489 -175.003 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.572 ' O ' ' HB3' ' A' ' 6' ' ' GLU . 0.2 OUTLIER -71.57 128.84 37.12 Favored 'General case' 0 C--N 1.278 -2.534 0 N-CA-C 106.609 -1.626 . . . . 1.6 106.609 -179.501 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.572 ' HA ' HD13 ' A' ' 7' ' ' ILE . 52.4 mt-30 -49.72 -39.51 37.38 Favored 'General case' 0 N--CA 1.486 1.33 0 N-CA-C 115.989 1.848 . . . . 1.66 115.989 -171.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -79.04 -24.54 43.54 Favored 'General case' 0 C--N 1.298 -1.65 0 CA-C-O 121.45 0.643 . . . . 2.3 109.696 -178.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.572 ' HB3' ' O ' ' A' ' 3' ' ' THR . 40.1 tt0 -74.78 -30.78 61.55 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 107.771 -1.196 . . . . 1.92 107.771 176.006 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.572 HD13 ' HA ' ' A' ' 4' ' ' GLN . 45.8 mt -64.75 -57.4 11.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 107.177 -1.416 . . . . 1.08 107.177 172.555 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.439 ' HA ' HD11 ' A' ' 11' ' ' LEU . 95.4 t -54.85 -38.45 44.51 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.871 0 CA-C-N 115.812 -0.631 . . . . 1.1 110.972 177.124 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.83 -41.54 99.37 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 122.57 0.348 . . . . 1.08 111.237 177.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.24 -39.96 97.53 Favored Glycine 0 CA--C 1.493 -1.321 0 N-CA-C 109.81 -1.316 . . . . 0.31 109.81 177.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.513 ' O ' HG21 ' A' ' 15' ' ' VAL . 96.3 mt -60.79 -50.88 71.68 Favored 'General case' 0 C--N 1.313 -0.982 0 N-CA-C 109.664 -0.495 . . . . 1.02 109.664 175.768 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.0 -44.72 74.79 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 124.341 1.056 . . . . 1.08 112.369 -178.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -65.3 -36.02 82.77 Favored 'General case' 0 C--O 1.241 0.635 0 N-CA-C 112.274 0.472 . . . . 1.46 112.274 -179.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 97.1 mt -68.68 -48.76 69.88 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.303 0 CA-C-N 115.465 -0.789 . . . . 1.16 109.385 176.061 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.528 HG13 ' HB ' ' A' ' 21' ' ' ILE . 95.3 t -56.93 -47.42 83.26 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.33 0 CA-C-N 115.673 -0.694 . . . . 1.1 110.393 178.721 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -62.64 -32.41 73.45 Favored 'General case' 0 C--N 1.298 -1.658 0 CA-C-O 120.981 0.419 . . . . 0.64 111.534 -179.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -76.51 -51.16 12.25 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 115.615 -0.72 . . . . 2.0 111.03 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.608 HG22 ' HB2' ' A' ' 45' ' ' GLU . 83.6 mt -89.01 -53.57 9.22 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.095 0 CA-C-O 121.155 0.502 . . . . 1.1 112.16 -174.485 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.429 ' CB ' HG11 ' A' ' 38' ' ' VAL . . . -76.19 -36.41 58.68 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 116.26 -0.427 . . . . 0.93 110.363 -177.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.66 32.56 18.42 Favored Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 110.966 -0.854 . . . . 0.46 110.966 -178.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.528 ' HB ' HG13 ' A' ' 15' ' ' VAL . 50.3 mm -110.9 133.04 21.35 Favored Pre-proline 0 C--N 1.318 -0.794 0 O-C-N 122.911 -0.17 . . . . 1.2 110.724 -176.115 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.49 ' HD2' ' HA ' ' A' ' 21' ' ' ILE . 11.4 Cg_exo -31.4 123.42 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.124 1 C-N-CA 126.078 4.518 . . . . 0.47 115.105 173.668 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 90.6 t -57.14 -34.68 45.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 113.948 -1.478 . . . . 1.4 109.986 -179.058 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -98.6 2.39 47.32 Favored 'General case' 0 N--CA 1.423 -1.792 0 N-CA-C 113.533 0.938 . . . . 2.34 113.533 -177.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.537 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 29.8 t70 -86.35 -25.3 25.46 Favored 'General case' 0 CA--C 1.503 -0.831 0 N-CA-C 106.061 -1.829 . . . . 0.69 106.061 172.38 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.697 HG11 HG13 ' A' ' 69' ' ' VAL . 55.8 t -72.17 78.61 0.29 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.833 0 CA-C-N 114.029 -1.441 . . . . 1.17 108.906 173.41 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.451 ' O ' HG22 ' A' ' 69' ' ' VAL . 62.6 mttm -91.84 -135.77 0.15 Allowed 'General case' 0 C--N 1.307 -1.242 0 CA-C-N 113.838 -1.528 . . . . 2.23 107.689 178.638 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.452 ' HA ' HG23 ' A' ' 69' ' ' VAL . 0.3 OUTLIER -114.68 -14.57 12.02 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 118.842 0.747 . . . . 1.7 111.401 174.504 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -88.72 2.58 53.13 Favored 'General case' 0 C--N 1.295 -1.781 0 C-N-CA 125.717 1.607 . . . . 2.11 109.463 -173.056 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.537 ' HG3' ' O ' ' A' ' 25' ' ' ASP . 75.8 mmtt -98.28 115.73 29.0 Favored 'General case' 0 C--N 1.275 -2.652 0 CA-C-N 114.027 -1.442 . . . . 1.65 114.049 -170.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.461 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 5.5 m -86.9 113.31 22.58 Favored 'General case' 0 N--CA 1.402 -2.869 0 N-CA-C 105.197 -2.149 . . . . 1.66 105.197 170.558 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.681 ' HA ' HD11 ' A' ' 36' ' ' LEU . 89.6 m-85 -31.3 -82.96 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 114.684 1.365 . . . . 0.61 114.684 177.788 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.642 HG23 ' HB ' ' A' ' 38' ' ' VAL . 0.8 OUTLIER -81.94 64.77 6.78 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 114.539 1.311 . . . . 1.08 114.539 177.347 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -175.73 -53.0 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.719 -0.673 . . . . 0.73 110.325 174.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -88.85 -47.71 7.99 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 115.867 -0.606 . . . . 1.46 110.541 178.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.681 HD11 ' HA ' ' A' ' 32' ' ' PHE . 96.5 mt -76.14 -44.61 37.51 Favored 'General case' 0 CA--C 1.505 -0.771 0 CA-C-N 116.125 -0.489 . . . . 1.12 109.982 -179.709 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.0 t70 79.59 86.84 0.06 Allowed 'General case' 0 CA--C 1.505 -0.751 0 C-N-CA 125.639 1.575 . . . . 1.14 109.543 177.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.642 ' HB ' HG23 ' A' ' 33' ' ' THR . 55.8 t -100.26 -102.96 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.423 -1.797 0 CA-C-N 114.275 -1.33 . . . . 2.39 109.114 -177.128 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.9 t70 176.26 -173.42 0.09 Allowed 'General case' 0 C--N 1.31 -1.109 0 N-CA-C 105.988 -1.856 . . . . 0.79 105.988 -177.187 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.543 ' HA ' H37A ' A' ' 101' ' ' SHW . 66.0 m -83.51 -44.78 14.32 Favored 'General case' 0 C--N 1.294 -1.83 0 CA-C-O 121.699 0.761 . . . . 1.37 109.883 -178.78 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 87.5 mt -78.73 -45.11 21.94 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-N 115.021 -0.991 . . . . 1.58 112.429 -169.002 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.532 ' O ' HG21 ' A' ' 46' ' ' VAL . 2.9 p -70.08 -23.42 63.07 Favored 'General case' 0 N--CA 1.424 -1.772 0 CA-C-N 115.308 -0.86 . . . . 1.26 110.869 -175.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.621 ' HE2' ' HB3' ' A' ' 32' ' ' PHE . 25.3 tpp -61.54 -43.46 98.82 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.538 -0.755 . . . . 1.22 110.63 177.472 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 48.6 t -69.98 -32.96 53.33 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.97 0 CA-C-N 115.411 -0.813 . . . . 1.25 109.507 -177.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.608 ' HB2' HG22 ' A' ' 18' ' ' ILE . 46.6 mt-10 -68.65 -37.45 79.68 Favored 'General case' 0 N--CA 1.437 -1.121 0 N-CA-C 109.717 -0.475 . . . . 2.08 109.717 178.507 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.532 HG21 ' O ' ' A' ' 42' ' ' SER . 86.0 t -58.87 -47.48 89.35 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.297 0 N-CA-C 109.466 -0.568 . . . . 1.21 109.466 176.214 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.449 HG23 HG21 ' A' ' 63' ' ' VAL . 62.6 t -54.8 -63.67 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 O-C-N 123.58 0.55 . . . . 1.1 109.554 176.069 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 76.2 t -45.03 -53.55 1.54 Allowed 'Isoleucine or valine' 0 CA--C 1.553 1.08 0 O-C-N 124.202 0.939 . . . . 1.36 112.1 177.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.98 -36.82 85.22 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 111.918 0.34 . . . . 1.13 111.918 -178.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.64 -37.27 85.67 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.588 0.232 . . . . 1.14 111.143 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.572 ' HG2' ' H ' ' A' ' 58' ' ' ILE . 43.0 mt-10 -57.55 -47.71 81.31 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.181 0.515 . . . . 1.36 109.878 177.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -76.06 -40.61 52.87 Favored 'General case' 0 C--N 1.306 -1.3 0 CA-C-N 115.943 -0.572 . . . . 2.09 111.962 -178.056 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 22.1 tpt180 -68.06 -35.09 77.65 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.405 0.621 . . . . 3.27 110.704 -172.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.428 ' CD2' HG21 ' A' ' 76' ' ' ILE . 6.6 m-85 -97.53 -4.03 38.65 Favored 'General case' 0 C--N 1.299 -1.616 0 CA-C-N 115.242 -0.89 . . . . 1.11 110.519 -177.083 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 62.65 19.63 11.47 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 124.625 1.17 . . . . 2.02 112.177 179.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.415 HG22 ' HB2' ' A' ' 54' ' ' PHE . 32.1 m -109.83 -166.72 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.352 0 CA-C-N 115.62 -0.718 . . . . 1.87 109.233 -178.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.401 ' HD2' ' O ' ' A' ' 56' ' ' VAL . 13.9 mmmm -128.68 120.43 26.5 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 108.633 -0.877 . . . . 2.26 108.633 172.364 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.572 ' H ' ' HG2' ' A' ' 51' ' ' GLU . 30.9 mt -127.45 86.08 59.38 Favored Pre-proline 0 C--N 1.296 -1.751 0 N-CA-C 105.39 -2.078 . . . . 1.23 105.39 177.027 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -69.09 143.39 53.94 Favored 'Trans proline' 0 N--CA 1.445 -1.374 0 C-N-CA 121.57 1.514 . . . . 0.76 112.921 -174.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.48 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 23.8 t70 -43.61 -27.97 0.35 Allowed 'General case' 0 C--O 1.207 -1.171 0 C-N-CA 124.994 1.318 . . . . 2.0 112.702 174.349 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -70.07 -59.1 3.11 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-O 120.757 0.313 . . . . 2.09 111.522 177.062 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -76.26 -22.75 54.76 Favored 'General case' 0 N--CA 1.486 1.328 0 N-CA-C 112.537 0.569 . . . . 1.58 112.537 -174.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.449 HG21 HG23 ' A' ' 47' ' ' VAL . 4.2 p -63.72 -22.45 30.97 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.57 0 CA-C-O 121.288 0.566 . . . . 1.39 110.786 -179.265 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.48 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 64.0 mttm -72.41 -2.71 20.43 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 115.692 -0.686 . . . . 2.97 112.566 -177.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -107.14 6.61 28.96 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-O 122.357 1.075 . . . . 2.62 108.731 176.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.769 HD12 ' HA ' ' A' ' 72' ' ' ALA . 64.0 mt -94.9 -68.12 0.82 Allowed 'General case' 0 C--O 1.201 -1.466 0 O-C-N 121.74 -0.6 . . . . 1.67 110.524 -179.706 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . 0.411 0.1 OUTLIER 59.7 -28.34 0.04 OUTLIER 'General case' 0 N--CA 1.5 2.052 0 N-CA-C 116.698 2.11 . . . . 3.58 116.698 178.598 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.461 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 66.8 p -111.88 169.05 9.1 Favored 'General case' 0 CA--C 1.488 -1.432 0 O-C-N 121.271 -0.893 . . . . 1.09 110.201 174.56 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.697 HG13 HG11 ' A' ' 26' ' ' VAL . 3.3 m -69.35 -36.62 72.97 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.287 0 CA-C-N 113.863 -1.517 . . . . 1.15 109.991 173.093 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -70.75 -47.9 37.74 Favored Glycine 0 N--CA 1.442 -0.923 0 CA-C-N 115.481 -0.782 . . . . 0.36 111.716 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -61.37 -39.32 90.21 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 110.083 -0.34 . . . . 1.79 110.083 177.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.769 ' HA ' HD12 ' A' ' 66' ' ' LEU . . . -57.99 -59.46 5.23 Favored 'General case' 0 C--O 1.217 -0.636 0 N-CA-C 109.673 -0.491 . . . . 1.08 109.673 177.699 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.493 ' HA ' HG22 ' A' ' 7' ' ' ILE . 92.4 m -48.91 -42.2 36.21 Favored 'General case' 0 C--O 1.214 -0.779 0 C-N-CA 124.277 1.031 . . . . 1.15 112.695 175.077 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -59.2 -40.22 85.07 Favored 'General case' 0 C--N 1.313 -1.008 0 C-N-CA 123.392 0.677 . . . . 3.35 110.123 179.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -76.41 -40.47 50.71 Favored 'General case' 0 C--O 1.216 -0.67 0 CA-C-N 115.855 -0.611 . . . . 1.19 109.641 178.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.518 HG13 ' O ' ' A' ' 72' ' ' ALA . 75.3 mt -66.51 -41.89 89.26 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.551 0 N-CA-C 109.946 -0.391 . . . . 1.07 109.946 -178.043 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.454 ' HA ' ' HG2' ' A' ' 80' ' ' GLN . 29.0 tp -65.56 -24.97 67.22 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 121.126 0.489 . . . . 1.76 110.136 178.745 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -84.79 -41.68 15.89 Favored 'General case' 0 C--N 1.307 -1.273 0 CA-C-N 115.381 -0.827 . . . . 0.67 110.44 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -91.17 5.57 48.5 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 115.371 -0.831 . . . . 1.87 112.197 -176.046 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.454 ' HG2' ' HA ' ' A' ' 77' ' ' LEU . 72.0 mm-40 -35.52 137.73 0.18 Allowed 'General case' 0 C--O 1.249 1.078 0 N-CA-C 115.123 1.527 . . . . 1.31 115.123 178.612 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.42 -1.954 0 CA-C-N 114.309 -1.314 . . . . 2.36 107.551 177.746 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' SHW . . . . . 0.543 H37A ' HA ' ' A' ' 40' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.614 0 N-CA-C 109.105 -0.702 . . . . 2.5 109.105 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -145.41 155.03 42.9 Favored 'General case' 0 CA--C 1.468 -2.176 0 N-CA-C 106.903 -1.517 . . . . 1.39 106.903 -176.36 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.677 ' O ' HG13 ' A' ' 7' ' ' ILE . 64.2 p -66.03 158.26 28.79 Favored 'General case' 0 N--CA 1.426 -1.659 0 N-CA-C 107.448 -1.315 . . . . 1.6 107.448 177.576 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.541 ' HA ' HD12 ' A' ' 7' ' ' ILE . 52.7 mt-30 -69.74 -20.97 63.5 Favored 'General case' 0 C--N 1.275 -2.649 0 CA-C-O 121.367 0.603 . . . . 1.66 110.845 -177.355 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -73.93 -41.27 62.3 Favored 'General case' 0 C--O 1.204 -1.327 0 N-CA-C 108.279 -1.008 . . . . 2.3 108.279 176.092 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -61.45 -38.17 86.23 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.061 -0.972 . . . . 1.92 108.844 178.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.708 HG22 ' HA ' ' A' ' 73' ' ' THR . 52.3 mt -62.51 -60.45 2.72 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.844 0 CA-C-N 114.985 -1.007 . . . . 1.08 108.914 177.785 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.4 t -54.3 -40.46 48.05 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.082 0 CA-C-N 115.816 -0.629 . . . . 1.1 111.782 177.396 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.31 -40.02 95.08 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.013 0.435 . . . . 1.08 110.218 177.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.06 -40.06 96.77 Favored Glycine 0 C--O 1.209 -1.454 0 N-CA-C 110.088 -1.205 . . . . 0.31 110.088 177.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 94.6 mt -63.31 -47.12 83.58 Favored 'General case' 0 C--N 1.306 -1.32 0 N-CA-C 109.878 -0.416 . . . . 1.02 109.878 175.246 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.447 ' HA ' HG12 ' A' ' 26' ' ' VAL . . . -56.72 -43.77 80.94 Favored 'General case' 0 C--N 1.318 -0.787 0 C-N-CA 123.615 0.766 . . . . 1.08 112.466 -178.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -65.82 -43.77 87.6 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-O 121.004 0.43 . . . . 1.46 111.6 179.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.452 HG21 HD11 ' A' ' 18' ' ' ILE . 95.8 mt -63.24 -51.56 69.72 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.295 0 CA-C-N 115.607 -0.724 . . . . 1.16 110.102 178.514 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.418 HG21 ' HE1' ' A' ' 32' ' ' PHE . 89.3 t -61.01 -37.6 77.65 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 CA-C-N 115.771 -0.649 . . . . 1.1 111.383 -179.623 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.425 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 3.7 t-20 -65.62 -37.55 86.91 Favored 'General case' 0 C--N 1.305 -1.359 0 C-N-CA 120.277 -0.569 . . . . 0.64 110.578 -179.377 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -81.34 -48.13 12.38 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 116.099 -0.501 . . . . 2.0 111.828 -177.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.619 HG22 ' HB2' ' A' ' 45' ' ' GLU . 97.0 mt -81.33 -53.25 12.64 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.192 0 N-CA-C 112.038 0.385 . . . . 1.1 112.038 -176.677 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.709 ' HB2' HG21 ' A' ' 38' ' ' VAL . . . -79.68 -36.73 37.18 Favored 'General case' 0 C--N 1.31 -1.145 0 CA-C-O 121.219 0.533 . . . . 0.93 110.291 -176.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.86 7.96 60.93 Favored Glycine 0 C--N 1.31 -0.879 0 C-N-CA 120.75 -0.738 . . . . 0.46 111.297 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.633 HG21 HD22 ' A' ' 36' ' ' LEU . 51.0 mm -91.44 130.62 38.85 Favored Pre-proline 0 C--N 1.314 -0.966 0 N-CA-C 108.987 -0.746 . . . . 1.2 108.987 -178.785 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.484 ' HD2' ' HA ' ' A' ' 21' ' ' ILE . 6.5 Cg_exo -34.99 127.1 0.23 Allowed 'Trans proline' 0 C--N 1.352 0.756 1 C-N-CA 125.406 4.07 . . . . 0.47 114.981 175.713 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 71.1 t -51.2 -33.28 13.47 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.252 0 C-N-CA 124.787 1.235 . . . . 1.4 109.01 174.186 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -82.02 -25.09 34.98 Favored 'General case' 0 N--CA 1.413 -2.275 0 CA-C-N 113.966 -1.47 . . . . 2.34 112.276 -174.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.47 ' O ' ' HE3' ' A' ' 30' ' ' LYS . 26.9 t70 -82.99 -19.39 37.13 Favored 'General case' 0 CA--C 1.503 -0.842 0 N-CA-C 108.337 -0.986 . . . . 0.69 108.337 178.83 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 22' ' ' PRO . 58.4 t -73.75 76.51 0.37 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.694 0 CA-C-O 122.411 1.1 . . . . 1.17 108.743 175.008 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.588 ' O ' HG22 ' A' ' 69' ' ' VAL . 94.3 mttt -91.57 -145.71 0.2 Allowed 'General case' 0 C--N 1.305 -1.34 0 CA-C-N 114.05 -1.432 . . . . 2.23 108.406 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.0 tt -114.66 -13.93 12.07 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 119.386 0.994 . . . . 1.7 111.657 -175.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -87.99 -9.77 52.46 Favored 'General case' 0 C--N 1.301 -1.503 0 CA-C-O 122.466 1.127 . . . . 2.11 109.596 179.452 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.602 ' O ' HG21 ' A' ' 69' ' ' VAL . 66.8 mmtt -72.21 114.35 10.23 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-N 114.281 -1.327 . . . . 1.65 114.522 -172.053 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.485 ' HA ' HG23 ' A' ' 68' ' ' THR . 3.9 m -85.34 36.07 0.62 Allowed 'General case' 0 C--N 1.287 -2.126 0 CA-C-N 115.031 -0.986 . . . . 1.66 113.503 -178.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.659 ' HA ' HD12 ' A' ' 36' ' ' LEU . 50.2 m-85 48.97 -111.21 0.44 Allowed 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 114.318 1.229 . . . . 0.61 114.318 179.544 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.08 38.22 0.13 Allowed 'General case' 0 C--N 1.314 -0.943 0 N-CA-C 114.025 1.12 . . . . 1.08 114.025 -179.192 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.444 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 9.7 t70 -143.19 -66.53 0.37 Allowed 'General case' 0 C--N 1.296 -1.745 0 CA-C-N 114.881 -1.054 . . . . 0.73 108.598 177.402 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -76.59 -51.29 11.89 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 119.484 -0.886 . . . . 1.46 109.8 179.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.659 HD12 ' HA ' ' A' ' 32' ' ' PHE . 79.4 mt -66.33 -50.73 62.6 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 107.695 -1.224 . . . . 1.12 107.695 177.595 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.1 t70 66.43 90.72 0.09 Allowed 'General case' 0 CA--C 1.507 -0.699 0 CA-C-N 114.466 -1.243 . . . . 1.14 109.624 177.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.709 HG21 ' HB2' ' A' ' 19' ' ' ALA . 4.0 p -119.97 -89.23 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.412 -2.339 0 N-CA-C 114.456 1.28 . . . . 2.39 114.456 -179.316 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.585 ' H ' HG11 ' A' ' 38' ' ' VAL . 7.6 t70 -158.18 172.38 18.49 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 106.225 -1.769 . . . . 0.79 106.225 -172.335 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 47.6 t -95.51 -39.88 9.74 Favored 'General case' 0 C--N 1.265 -3.104 0 CA-C-O 121.895 0.855 . . . . 1.37 109.117 -174.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 68.2 mt -79.63 -24.99 41.52 Favored 'General case' 0 C--N 1.301 -1.543 0 CA-C-N 114.777 -1.101 . . . . 1.58 109.382 -172.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.499 ' O ' HG23 ' A' ' 46' ' ' VAL . 31.4 m -79.38 -26.82 41.9 Favored 'General case' 0 N--CA 1.423 -1.781 0 CA-C-N 115.138 -0.937 . . . . 1.26 109.532 176.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.479 ' CE ' ' HB3' ' A' ' 32' ' ' PHE . 32.7 tpp -67.59 -40.2 84.81 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.482 0.658 . . . . 1.22 110.284 -178.194 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.456 ' O ' HG22 ' A' ' 48' ' ' VAL . 40.4 t -67.18 -36.95 78.21 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.249 0 CA-C-N 115.373 -0.831 . . . . 1.25 109.758 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.619 ' HB2' HG22 ' A' ' 18' ' ' ILE . 31.6 mm-40 -66.3 -35.21 79.8 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 116.5 -0.318 . . . . 2.08 110.397 178.213 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 42' ' ' SER . 99.5 t -60.58 -45.16 97.68 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.644 0 N-CA-C 108.899 -0.778 . . . . 1.21 108.899 176.277 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.658 HG22 HG22 ' A' ' 63' ' ' VAL . 59.4 t -54.32 -62.47 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 N-CA-C 108.812 -0.81 . . . . 1.1 108.812 175.198 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.456 HG22 ' O ' ' A' ' 44' ' ' VAL . 95.5 t -41.68 -60.04 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 124.278 0.986 . . . . 1.36 111.218 175.42 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.6 -39.72 92.25 Favored 'General case' 0 C--O 1.218 -0.595 0 N-CA-C 112.61 0.596 . . . . 1.13 112.61 -177.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.3 -37.59 78.1 Favored 'General case' 0 C--O 1.241 0.636 0 C-N-CA 122.297 0.239 . . . . 1.14 111.243 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.605 ' HG2' ' H ' ' A' ' 58' ' ' ILE . 28.6 mt-10 -59.99 -42.16 93.62 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 116.282 -0.417 . . . . 1.36 110.596 177.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -81.35 -39.29 25.3 Favored 'General case' 0 C--N 1.309 -1.173 0 O-C-N 124.012 0.82 . . . . 2.09 111.644 -176.127 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 51.7 tpt85 -72.21 -36.76 69.25 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.422 0.629 . . . . 3.27 110.766 -174.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.51 ' CE2' HD13 ' A' ' 76' ' ' ILE . 24.3 m-85 -99.78 -16.72 18.0 Favored 'General case' 0 C--N 1.292 -1.892 0 C-N-CA 120.127 -0.629 . . . . 1.11 111.447 -178.588 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 33.5 t70 64.76 13.13 8.21 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 124.749 1.22 . . . . 2.02 110.236 -179.327 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.405 HG22 ' HB2' ' A' ' 54' ' ' PHE . 33.1 m -88.42 -13.43 9.94 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.83 0 CA-C-N 115.13 -0.941 . . . . 1.87 111.255 -175.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.417 ' HE2' ' OE1' ' A' ' 51' ' ' GLU . 14.2 mmmm 53.54 88.36 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 124.715 1.206 . . . . 2.26 112.139 -177.369 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.605 ' H ' ' HG2' ' A' ' 51' ' ' GLU . 23.9 mt -98.38 97.98 5.27 Favored Pre-proline 0 C--N 1.307 -1.247 0 N-CA-C 107.436 -1.32 . . . . 1.23 107.436 176.057 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -72.53 147.96 47.04 Favored 'Trans proline' 0 N--CA 1.44 -1.663 0 C-N-CA 120.968 1.112 . . . . 0.76 111.491 -177.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.578 ' O ' HG12 ' A' ' 63' ' ' VAL . 5.5 m-20 -42.72 -34.34 0.89 Allowed 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 125.166 1.387 . . . . 2.0 112.328 176.045 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.451 ' HA ' ' HE2' ' A' ' 64' ' ' LYS . 12.6 t70 -62.52 -56.97 13.03 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-O 121.186 0.517 . . . . 2.09 110.799 179.255 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -74.64 -27.66 60.54 Favored 'General case' 0 CA--C 1.487 -1.454 0 CA-C-N 116.267 -0.424 . . . . 1.58 111.111 -175.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.658 HG22 HG22 ' A' ' 47' ' ' VAL . 1.1 p -61.7 -22.86 29.32 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 CA-C-O 121.289 0.566 . . . . 1.39 110.823 -177.618 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.575 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 54.4 mtmt -71.4 -8.79 56.1 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-N 115.55 -0.75 . . . . 2.97 112.058 -179.068 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 28.7 m-80 -102.95 0.66 32.62 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 116.166 -0.47 . . . . 2.62 109.753 -178.089 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.616 HD11 ' HA ' ' A' ' 72' ' ' ALA . 70.9 mt -90.09 -62.86 1.37 Allowed 'General case' 0 C--N 1.312 -1.038 0 C-N-CA 120.718 -0.393 . . . . 1.67 110.866 -175.572 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.418 ' HA ' ' H3 ' ' A' ' 101' ' ' SHW 0.522 0.0 OUTLIER 57.44 -6.23 0.04 OUTLIER 'General case' 0 CA--C 1.559 1.327 0 N-CA-C 118.405 2.742 . . . . 3.58 118.405 179.709 . . . . . . . . 4 4 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.485 HG23 ' HA ' ' A' ' 31' ' ' SER . 57.2 p -137.19 172.85 12.38 Favored 'General case' 0 CA--C 1.498 -1.029 0 O-C-N 121.319 -0.863 . . . . 1.09 109.487 169.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.602 HG21 ' O ' ' A' ' 30' ' ' LYS . 2.4 m -69.91 -45.55 76.52 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.573 0 CA-C-N 114.757 -1.11 . . . . 1.15 109.783 171.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -63.47 -42.66 98.93 Favored Glycine 0 N--CA 1.446 -0.639 0 CA-C-N 116.178 -0.465 . . . . 0.36 112.936 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -70.76 -32.53 69.7 Favored 'General case' 0 CA--C 1.508 -0.673 0 O-C-N 122.463 -0.433 . . . . 1.79 110.395 178.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.616 ' HA ' HD11 ' A' ' 66' ' ' LEU . . . -60.55 -57.14 14.0 Favored 'General case' 0 C--O 1.208 -1.104 0 N-CA-C 108.245 -1.021 . . . . 1.08 108.245 173.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.708 ' HA ' HG22 ' A' ' 7' ' ' ILE . 85.2 m -47.7 -41.99 23.97 Favored 'General case' 0 C--O 1.209 -1.073 0 C-N-CA 124.365 1.066 . . . . 1.15 112.748 174.276 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -59.55 -42.28 92.03 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 118.109 0.413 . . . . 3.35 110.658 177.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.457 ' O ' ' HB2' ' A' ' 79' ' ' HIS . 55.0 t80 -72.21 -42.46 65.75 Favored 'General case' 0 C--O 1.205 -1.28 0 N-CA-C 109.137 -0.69 . . . . 1.19 109.137 179.78 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.6 HG12 HD11 ' A' ' 58' ' ' ILE . 76.0 mt -65.57 -43.87 94.03 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.288 0 CA-C-N 116.078 -0.51 . . . . 1.07 109.927 -178.818 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.454 ' HA ' HE21 ' A' ' 80' ' ' GLN . 21.0 tp -63.88 -26.26 68.53 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.205 0.526 . . . . 1.76 110.794 178.481 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -87.53 -34.3 18.66 Favored 'General case' 0 C--N 1.304 -1.411 0 CA-C-O 121.81 0.814 . . . . 0.67 110.425 -179.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.457 ' HB2' ' O ' ' A' ' 75' ' ' TYR . 0.2 OUTLIER -92.85 2.78 56.59 Favored 'General case' 0 C--N 1.308 -1.199 0 CA-C-N 114.991 -1.004 . . . . 1.87 111.172 -176.073 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.454 HE21 ' HA ' ' A' ' 77' ' ' LEU . 67.6 mm-40 -38.16 133.35 0.93 Allowed 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 115.575 1.694 . . . . 1.31 115.575 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.421 -1.907 0 N-CA-C 107.084 -1.45 . . . . 2.36 107.084 174.464 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' SHW . . . . . 0.418 ' H3 ' ' HA ' ' A' ' 67' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.447 ' HA ' ' HG3' ' A' ' 80' ' ' GLN . . . . . . . . 0 CA--C 1.515 -0.367 0 N-CA-C 109.536 -0.542 . . . . 2.5 109.536 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -133.68 -165.19 1.59 Allowed 'General case' 0 N--CA 1.43 -1.437 0 N-CA-C 106.644 -1.613 . . . . 1.39 106.644 -177.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.48 ' O ' HG13 ' A' ' 7' ' ' ILE . 23.8 m -93.48 118.25 31.1 Favored 'General case' 0 C--N 1.281 -2.378 0 N-CA-C 108.109 -1.071 . . . . 1.6 108.109 179.49 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.445 ' HA ' HD12 ' A' ' 7' ' ' ILE . 27.0 mt-30 -49.26 -37.24 22.91 Favored 'General case' 0 N--CA 1.485 1.298 0 N-CA-C 112.809 0.67 . . . . 1.66 112.809 -178.247 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -64.45 -33.86 76.85 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 116.243 -0.435 . . . . 2.3 110.905 179.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -72.31 -37.97 68.82 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.078 -0.712 . . . . 1.92 109.078 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.492 HG22 ' HA ' ' A' ' 73' ' ' THR . 19.8 mt -63.0 -58.49 7.36 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.045 0 N-CA-C 108.393 -0.966 . . . . 1.08 108.393 179.395 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.481 HG21 HD11 ' A' ' 28' ' ' LEU . 57.4 t -54.53 -38.71 42.79 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.272 0 CA-C-N 115.618 -0.719 . . . . 1.1 111.287 177.546 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.403 ' O ' ' HG2' ' A' ' 13' ' ' GLU . . . -66.88 -41.74 86.73 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.606 0.241 . . . . 1.08 110.857 178.36 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.12 -41.4 99.75 Favored Glycine 0 N--CA 1.445 -0.702 0 N-CA-C 110.592 -1.003 . . . . 0.31 110.592 176.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.491 ' O ' HG22 ' A' ' 15' ' ' VAL . 76.9 mt -61.22 -45.86 92.84 Favored 'General case' 0 N--CA 1.436 -1.153 0 C-N-CA 123.127 0.571 . . . . 1.02 110.154 175.554 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.79 -41.58 77.95 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 123.894 0.878 . . . . 1.08 111.823 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.403 ' HG2' ' O ' ' A' ' 9' ' ' ALA . 7.8 mm-40 -53.94 -51.21 64.52 Favored 'General case' 0 N--CA 1.488 1.464 0 CA-C-O 122.132 0.968 . . . . 1.46 109.401 175.746 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 95.9 mt -63.42 -50.08 80.1 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.935 0 CA-C-N 113.38 -1.736 . . . . 1.16 110.674 -177.19 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.491 HG22 ' O ' ' A' ' 11' ' ' LEU . 90.6 t -58.25 -47.11 88.37 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.682 0 CA-C-N 115.959 -0.564 . . . . 1.1 110.481 178.799 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -64.71 -33.13 75.23 Favored 'General case' 0 C--N 1.302 -1.497 0 CA-C-O 121.085 0.469 . . . . 0.64 111.344 -177.382 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -69.87 -57.59 4.88 Favored 'General case' 0 C--N 1.304 -1.403 0 CA-C-N 115.593 -0.731 . . . . 2.0 110.719 177.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.729 HG21 ' HB3' ' A' ' 42' ' ' SER . 59.6 mt -82.95 -53.39 11.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.808 -0.633 . . . . 1.1 111.817 -171.292 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.683 ' HB1' HG12 ' A' ' 38' ' ' VAL . . . -75.94 -37.41 58.69 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.051 0.453 . . . . 0.93 110.278 -178.384 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 87.29 18.24 57.65 Favored Glycine 0 C--O 1.226 -0.392 0 N-CA-C 111.446 -0.662 . . . . 0.46 111.446 -178.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.426 ' HA ' ' HD2' ' A' ' 22' ' ' PRO . 51.4 mm -98.72 134.36 21.7 Favored Pre-proline 0 C--N 1.313 -1.009 0 N-CA-C 109.842 -0.429 . . . . 1.2 109.842 -177.024 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' ' 21' ' ' ILE . 20.1 Cg_exo -28.74 123.64 0.05 OUTLIER 'Trans proline' 0 C--N 1.371 1.756 1 C-N-CA 126.087 4.524 . . . . 0.47 115.108 174.775 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.46 ' O ' ' HB ' ' A' ' 26' ' ' VAL . 71.3 t -50.95 -47.69 29.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 113.87 -1.514 . . . . 1.4 108.828 176.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -79.67 -3.7 48.43 Favored 'General case' 0 N--CA 1.418 -2.026 0 N-CA-C 114.322 1.23 . . . . 2.34 114.322 -176.366 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.614 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 26.3 t70 -87.79 -16.45 34.11 Favored 'General case' 0 N--CA 1.437 -1.106 0 C-N-CA 118.088 -1.445 . . . . 0.69 108.503 175.776 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.472 HG11 HG13 ' A' ' 69' ' ' VAL . 20.6 t -72.93 85.47 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.394 0 CA-C-O 122.965 1.364 . . . . 1.17 108.245 172.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.605 ' NZ ' ' HA ' ' A' ' 25' ' ' ASP . 54.2 mttp -97.03 -134.12 0.23 Allowed 'General case' 0 C--N 1.303 -1.438 0 CA-C-N 112.805 -1.998 . . . . 2.23 107.589 179.174 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.649 ' HA ' HG23 ' A' ' 69' ' ' VAL . 8.2 mp -124.78 -17.25 5.94 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 118.987 0.812 . . . . 1.7 112.647 174.05 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -88.45 -0.76 57.54 Favored 'General case' 0 N--CA 1.491 1.623 0 CA-C-O 123.256 1.503 . . . . 2.11 109.181 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.663 ' O ' HG21 ' A' ' 69' ' ' VAL . 71.9 mmtt -86.44 97.66 10.59 Favored 'General case' 0 C--N 1.289 -2.056 0 CA-C-N 113.744 -1.571 . . . . 1.65 113.293 -175.414 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.625 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 12.0 m -70.94 111.69 6.53 Favored 'General case' 0 N--CA 1.401 -2.913 0 N-CA-C 107.333 -1.358 . . . . 1.66 107.333 171.534 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.721 ' HA ' HD11 ' A' ' 36' ' ' LEU . 77.0 m-85 -29.59 -88.56 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 114.53 1.308 . . . . 0.61 114.53 177.154 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.606 HG23 ' HB ' ' A' ' 38' ' ' VAL . 0.8 OUTLIER -82.81 66.87 8.63 Favored 'General case' 0 C--N 1.298 -1.671 0 N-CA-C 113.031 0.752 . . . . 1.08 113.031 176.105 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.625 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 23.0 t70 -169.77 -59.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.223 -0.899 . . . . 0.73 110.682 178.359 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -101.65 -31.03 11.01 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 121.488 0.661 . . . . 1.46 109.971 -175.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.721 HD11 ' HA ' ' A' ' 32' ' ' PHE . 88.2 mt -83.52 -49.95 8.75 Favored 'General case' 0 CA--C 1.507 -0.682 0 N-CA-C 109.477 -0.564 . . . . 1.12 109.477 175.337 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.6 t70 78.5 92.24 0.06 Allowed 'General case' 0 CA--C 1.512 -0.488 0 C-N-CA 125.471 1.509 . . . . 1.14 110.235 -178.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.683 HG12 ' HB1' ' A' ' 19' ' ' ALA . 84.5 t -102.15 -94.72 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.308 -1.227 0 CA-C-N 114.214 -1.357 . . . . 2.39 110.091 -173.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.6 t70 174.88 -178.37 0.1 Allowed 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 104.421 -2.437 . . . . 0.79 104.421 -178.385 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.504 ' HA ' ' C38' ' A' ' 101' ' ' SHW . 24.3 t -98.54 -41.22 7.86 Favored 'General case' 0 C--N 1.267 -2.992 0 CA-C-O 121.469 0.652 . . . . 1.37 109.527 -174.407 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 83.8 mt -78.76 -31.55 46.23 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 108.835 -0.802 . . . . 1.58 108.835 -177.09 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.729 ' HB3' HG21 ' A' ' 18' ' ' ILE . 15.0 m -70.76 -29.46 65.69 Favored 'General case' 0 N--CA 1.422 -1.832 0 CA-C-N 114.312 -1.313 . . . . 1.26 109.795 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.638 ' HE1' ' HB3' ' A' ' 32' ' ' PHE . 31.2 tpp -62.77 -43.01 99.92 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 115.663 -0.699 . . . . 1.22 111.509 -177.702 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 47.7 t -70.78 -29.44 37.76 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.493 0 CA-C-N 115.614 -0.721 . . . . 1.25 109.859 -176.676 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -72.96 -35.72 66.99 Favored 'General case' 0 N--CA 1.439 -0.981 0 N-CA-C 109.7 -0.482 . . . . 2.08 109.7 177.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.526 HG21 ' O ' ' A' ' 42' ' ' SER . 93.3 t -59.27 -45.91 92.73 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 N-CA-C 109.25 -0.648 . . . . 1.21 109.25 176.702 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 43' ' ' MET . 59.9 t -55.81 -63.21 0.63 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 CA-C-N 115.817 -0.629 . . . . 1.1 109.354 176.308 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.621 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 87.4 t -49.48 -48.08 19.81 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.348 0 O-C-N 123.858 0.723 . . . . 1.36 112.277 179.105 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.01 -29.2 68.96 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 112.44 0.533 . . . . 1.13 112.44 -178.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.55 -37.91 83.39 Favored 'General case' 0 C--O 1.25 1.112 0 CA-C-O 120.707 0.289 . . . . 1.14 110.312 178.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.621 ' OE1' ' HA ' ' A' ' 48' ' ' VAL . 26.6 mt-10 -59.72 -48.56 81.21 Favored 'General case' 0 CA--C 1.518 -0.256 0 N-CA-C 107.918 -1.141 . . . . 1.36 107.918 177.439 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -64.3 -30.64 71.68 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-N 113.706 -1.588 . . . . 2.09 111.062 -178.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.425 ' HD2' ' HA ' ' A' ' 53' ' ' ARG . 20.2 tpt180 -80.73 -53.29 6.64 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-O 121.096 0.474 . . . . 3.27 110.738 -173.847 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.515 ' HB2' HG12 ' A' ' 56' ' ' VAL . 55.1 m-85 -93.39 -6.53 46.97 Favored 'General case' 0 C--N 1.3 -1.552 0 CA-C-N 115.865 -0.607 . . . . 1.11 112.561 -171.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.2 t70 70.74 16.48 6.74 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.834 1.253 . . . . 2.02 111.014 178.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.58 ' O ' ' HA ' ' A' ' 51' ' ' GLU . 3.7 p -107.72 116.12 50.44 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.527 0 N-CA-C 107.668 -1.234 . . . . 1.87 107.668 176.043 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.466 ' HZ2' ' CD ' ' A' ' 51' ' ' GLU . 4.9 tmtm? -73.16 96.77 2.28 Favored 'General case' 0 C--N 1.293 -1.854 0 CA-C-N 115.281 -0.872 . . . . 2.26 109.345 -175.487 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.559 ' H ' ' HG2' ' A' ' 51' ' ' GLU . 19.2 mt -101.04 99.12 9.83 Favored Pre-proline 0 C--N 1.312 -1.024 0 N-CA-C 108.216 -1.031 . . . . 1.23 108.216 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -74.13 149.82 41.7 Favored 'Trans proline' 0 N--CA 1.445 -1.358 0 C-N-CA 121.636 1.558 . . . . 0.76 111.091 -178.349 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.519 ' HA ' ' CG1' ' A' ' 63' ' ' VAL . 4.6 p-10 -59.92 -14.61 16.45 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 122.992 0.517 . . . . 2.0 111.183 178.134 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.427 ' HA ' ' HE2' ' A' ' 64' ' ' LYS . 28.0 t70 -68.25 -56.84 7.24 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.048 -0.524 . . . . 2.09 111.518 174.262 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -83.87 -25.36 30.31 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-O 121.104 0.478 . . . . 1.58 110.839 -175.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.76 HG23 ' H5 ' ' A' ' 101' ' ' SHW . 1.4 p -57.35 -21.71 15.86 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.861 0 CA-C-N 115.768 -0.651 . . . . 1.39 111.363 -179.486 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.427 ' HE2' ' HA ' ' A' ' 61' ' ' ASP . 62.9 mttm -60.97 -13.16 14.28 Favored 'General case' 0 C--O 1.218 -0.591 0 C-N-CA 124.043 0.937 . . . . 2.97 112.853 -178.312 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 45.2 m-80 -91.28 -18.55 24.17 Favored 'General case' 0 CA--C 1.501 -0.912 0 N-CA-C 108.867 -0.79 . . . . 2.62 108.867 -179.377 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.763 HD11 ' HA ' ' A' ' 72' ' ' ALA . 14.1 mt -93.9 109.97 21.66 Favored 'General case' 0 N--CA 1.42 -1.972 0 N-CA-C 106.025 -1.843 . . . . 1.67 106.025 -179.516 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.78 -3.9 14.81 Favored 'General case' 0 C--N 1.28 -2.422 0 N-CA-C 113.539 0.94 . . . . 3.58 113.539 -178.481 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.564 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 81.3 p -129.44 176.13 8.21 Favored 'General case' 0 N--CA 1.432 -1.335 0 CA-C-O 121.397 0.618 . . . . 1.09 110.046 175.649 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.663 HG21 ' O ' ' A' ' 30' ' ' LYS . 2.2 m -66.71 -31.34 53.08 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.608 0 CA-C-N 114.243 -1.344 . . . . 1.15 110.098 171.41 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -73.8 -43.89 33.46 Favored Glycine 0 N--CA 1.431 -1.657 0 N-CA-C 110.495 -1.042 . . . . 0.36 110.495 178.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.505 ' HB3' ' HA ' ' A' ' 66' ' ' LEU . 10.6 m-20 -61.75 -41.87 98.23 Favored 'General case' 0 CA--C 1.5 -0.965 0 C-N-CA 122.169 0.188 . . . . 1.79 110.605 177.52 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.763 ' HA ' HD11 ' A' ' 66' ' ' LEU . . . -55.41 -59.77 4.34 Favored 'General case' 0 CA--C 1.517 -0.311 0 N-CA-C 108.973 -0.751 . . . . 1.08 108.973 176.58 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.492 ' HA ' HG22 ' A' ' 7' ' ' ILE . 91.6 m -48.71 -42.96 36.68 Favored 'General case' 0 C--O 1.192 -1.941 0 C-N-CA 124.011 0.924 . . . . 1.15 112.737 173.008 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -60.27 -33.19 71.97 Favored 'General case' 0 C--N 1.317 -0.83 0 C-N-CA 123.617 0.767 . . . . 3.35 111.068 -179.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.569 ' HB2' HD22 ' A' ' 66' ' ' LEU . 37.9 t80 -76.9 -54.85 6.05 Favored 'General case' 0 C--O 1.205 -1.241 0 N-CA-C 107.703 -1.221 . . . . 1.19 107.703 176.748 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.542 HG12 HD12 ' A' ' 58' ' ' ILE . 73.7 mt -56.56 -50.03 75.1 Favored 'Isoleucine or valine' 0 C--O 1.193 -1.918 0 C-N-CA 124.632 1.173 . . . . 1.07 111.373 -176.439 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 46.7 tp -53.5 -38.19 63.47 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.842 0.857 . . . . 1.76 111.349 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -87.08 -39.71 15.34 Favored 'General case' 0 C--N 1.293 -1.882 0 CA-C-N 114.511 -1.222 . . . . 0.67 111.446 -175.459 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 31.1 m-70 -90.62 5.33 48.41 Favored 'General case' 0 C--N 1.294 -1.808 0 CA-C-N 114.637 -1.165 . . . . 1.87 112.322 -175.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.504 ' NE2' HG22 ' A' ' 76' ' ' ILE . 69.5 mm-40 -37.92 140.62 0.25 Allowed 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 125.326 1.45 . . . . 1.31 114.547 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.418 -2.074 0 N-CA-C 107.099 -1.445 . . . . 2.36 107.099 174.652 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' SHW . . . . . 0.76 ' H5 ' HG23 ' A' ' 63' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.452 ' HA ' ' HG3' ' A' ' 80' ' ' GLN . . . . . . . . 0 C--O 1.239 0.525 0 N-CA-C 109.468 -0.567 . . . . 2.5 109.468 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -149.76 139.37 21.63 Favored 'General case' 0 CA--C 1.486 -1.494 0 N-CA-C 107.372 -1.344 . . . . 1.39 107.372 176.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.541 ' O ' HG13 ' A' ' 7' ' ' ILE . 1.2 m -65.73 140.31 58.43 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 107.358 -1.349 . . . . 1.6 107.358 179.571 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.533 ' HA ' HD11 ' A' ' 7' ' ' ILE . 50.5 mt-30 -60.01 -29.85 68.75 Favored 'General case' 0 C--N 1.314 -0.955 0 N-CA-C 114.725 1.38 . . . . 1.66 114.725 -168.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -75.59 -37.48 59.82 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 108.077 -1.082 . . . . 2.3 108.077 -178.425 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.416 ' HB3' ' O ' ' A' ' 3' ' ' THR . 10.0 tp10 -62.71 -36.2 82.2 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 124.629 1.172 . . . . 1.92 108.667 175.259 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.541 HG13 ' O ' ' A' ' 3' ' ' THR . 46.8 mt -65.61 -57.5 10.57 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.471 0 N-CA-C 108.662 -0.866 . . . . 1.08 108.662 176.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.4 t -53.12 -39.06 31.98 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.957 0 CA-C-N 116.189 -0.459 . . . . 1.1 111.273 176.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.38 -38.45 84.75 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.182 0.515 . . . . 1.08 110.596 177.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.78 -35.12 91.54 Favored Glycine 0 C--O 1.206 -1.627 0 N-CA-C 110.476 -1.05 . . . . 0.31 110.476 178.135 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.48 ' O ' HG21 ' A' ' 15' ' ' VAL . 96.1 mt -68.31 -50.5 53.07 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 109.414 -0.587 . . . . 1.02 109.414 174.76 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -53.8 -43.39 69.28 Favored 'General case' 0 C--O 1.24 0.578 0 C-N-CA 124.166 0.986 . . . . 1.08 112.599 -177.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -64.73 -29.64 70.63 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-O 121.255 0.55 . . . . 1.46 111.923 -179.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.456 HD12 ' HB2' ' A' ' 53' ' ' ARG . 96.8 mt -80.04 -51.32 16.36 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.778 0 CA-C-N 115.688 -0.687 . . . . 1.16 109.197 179.461 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.48 HG21 ' O ' ' A' ' 11' ' ' LEU . 87.6 t -54.02 -43.97 60.71 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.443 0 CA-C-N 115.195 -0.911 . . . . 1.1 110.748 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -59.71 -34.2 72.6 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-O 120.735 0.302 . . . . 0.64 111.055 -179.391 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -83.1 -45.93 13.39 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 112.387 0.514 . . . . 2.0 112.387 -176.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.604 HG21 ' HB2' ' A' ' 45' ' ' GLU . 79.5 mt -88.54 -53.82 8.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 CA-C-O 121.338 0.59 . . . . 1.1 111.727 -175.041 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.646 ' HB1' HG12 ' A' ' 38' ' ' VAL . . . -74.83 -38.74 61.94 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-N 115.834 -0.621 . . . . 0.93 109.577 -177.718 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.33 36.28 11.05 Favored Glycine 0 N--CA 1.438 -1.208 0 N-CA-C 110.351 -1.1 . . . . 0.46 110.351 -178.442 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.634 HG22 HD22 ' A' ' 36' ' ' LEU . 46.8 mm -117.1 128.43 26.03 Favored Pre-proline 0 C--N 1.307 -1.249 0 N-CA-C 107.538 -1.282 . . . . 1.2 107.538 178.777 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 21' ' ' ILE . 3.8 Cg_exo -34.36 127.93 0.19 Allowed 'Trans proline' 0 C--N 1.351 0.678 1 C-N-CA 125.609 4.206 . . . . 0.47 115.161 176.504 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 91.5 t -53.14 -39.19 32.67 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 CA-C-N 114.541 -1.209 . . . . 1.4 108.164 174.594 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -79.73 -16.85 54.85 Favored 'General case' 0 C--N 1.29 -2.015 0 CA-C-N 113.583 -1.644 . . . . 2.34 112.726 -173.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.405 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 28.0 t70 -90.09 -14.76 33.09 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 108.303 -0.999 . . . . 0.69 108.303 -179.709 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.515 HG11 HG12 ' A' ' 69' ' ' VAL . 48.6 t -82.81 77.93 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.288 0 CA-C-O 122.851 1.31 . . . . 1.17 109.407 177.681 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.569 ' O ' HG22 ' A' ' 69' ' ' VAL . 15.6 pttt -110.13 170.52 8.02 Favored 'General case' 0 N--CA 1.422 -1.848 0 CA-C-N 113.484 -1.689 . . . . 2.23 108.389 175.549 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.628 ' HA ' HG23 ' A' ' 69' ' ' VAL . 5.3 tt -73.71 4.34 5.23 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 114.945 1.461 . . . . 1.7 114.945 -163.666 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -99.95 -0.43 39.43 Favored 'General case' 0 C--N 1.286 -2.192 0 O-C-N 121.436 -0.79 . . . . 2.11 110.146 175.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.539 ' O ' HG21 ' A' ' 69' ' ' VAL . 74.9 mmtt -89.6 117.86 28.8 Favored 'General case' 0 N--CA 1.419 -1.982 0 N-CA-C 113.727 1.01 . . . . 1.65 113.727 -173.23 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.667 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 30.6 t -88.09 113.07 23.36 Favored 'General case' 0 N--CA 1.401 -2.895 0 N-CA-C 105.054 -2.202 . . . . 1.66 105.054 168.445 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.657 ' HA ' HD11 ' A' ' 36' ' ' LEU . 58.3 m-85 -29.55 -92.22 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 115.396 1.628 . . . . 0.61 115.396 178.029 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.899 ' HB ' ' H38' ' A' ' 101' ' ' SHW . 0.0 OUTLIER -81.39 45.97 0.91 Allowed 'General case' 0 C--N 1.281 -2.408 0 N-CA-C 114.409 1.263 . . . . 1.08 114.409 178.456 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -147.53 -57.72 0.25 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.119 -0.491 . . . . 0.73 111.029 177.147 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -91.49 -45.03 8.75 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.296 -0.631 . . . . 1.46 109.296 -177.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.657 HD11 ' HA ' ' A' ' 32' ' ' PHE . 90.4 mt -70.2 -49.53 49.33 Favored 'General case' 0 CA--C 1.509 -0.597 0 N-CA-C 106.88 -1.526 . . . . 1.12 106.88 174.445 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.4 t70 69.05 80.68 0.19 Allowed 'General case' 0 CA--C 1.505 -0.776 0 CA-C-N 113.86 -1.518 . . . . 1.14 111.199 172.311 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.646 HG12 ' HB1' ' A' ' 19' ' ' ALA . 3.9 p -117.61 -102.53 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.414 -2.235 0 C-N-CA 119.525 -0.87 . . . . 2.39 112.967 178.796 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.576 ' H ' HG13 ' A' ' 38' ' ' VAL . 15.0 t70 -141.32 169.51 17.48 Favored 'General case' 0 C--N 1.293 -1.886 0 N-CA-C 106.701 -1.592 . . . . 0.79 106.701 -175.325 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.444 ' O ' HG21 ' A' ' 44' ' ' VAL . 34.4 p -111.05 -42.23 4.02 Favored 'General case' 0 C--N 1.27 -2.889 0 O-C-N 123.712 0.633 . . . . 1.37 110.55 -170.424 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 90.2 mt -66.59 -30.84 71.22 Favored 'General case' 0 C--N 1.315 -0.916 0 N-CA-C 108.012 -1.107 . . . . 1.58 108.012 174.172 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.565 ' HB2' ' HB3' ' A' ' 39' ' ' ASP . 20.3 m -75.9 -30.38 58.78 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-N 115.139 -0.937 . . . . 1.26 109.315 175.352 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.506 ' O ' HG23 ' A' ' 47' ' ' VAL . 32.2 tpp -64.54 -37.3 87.07 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.734 -0.666 . . . . 1.22 110.118 -179.795 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.456 ' O ' ' HB ' ' A' ' 47' ' ' VAL . 43.6 t -64.56 -34.9 72.72 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 CA-C-N 115.939 -0.573 . . . . 1.25 110.329 179.269 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.604 ' HB2' HG21 ' A' ' 18' ' ' ILE . 25.4 mm-40 -69.21 -35.62 76.41 Favored 'General case' 0 N--CA 1.443 -0.821 0 N-CA-C 109.12 -0.696 . . . . 2.08 109.12 179.028 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 90.4 t -60.44 -46.67 94.89 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.501 0 N-CA-C 108.672 -0.862 . . . . 1.21 108.672 175.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.559 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 85.7 t -52.24 -64.02 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 O-C-N 123.914 0.759 . . . . 1.1 109.424 175.136 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 85.4 t -49.23 -45.8 18.09 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.249 0 C-N-CA 123.688 0.795 . . . . 1.36 112.031 179.124 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.1 -33.32 71.72 Favored 'General case' 0 C--N 1.321 -0.658 0 O-C-N 122.04 -0.412 . . . . 1.13 111.97 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.5 -38.35 89.46 Favored 'General case' 0 CA--C 1.506 -0.734 0 N-CA-C 109.078 -0.712 . . . . 1.14 109.078 176.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.559 ' HG3' ' O ' ' A' ' 47' ' ' VAL . 35.3 mt-10 -58.1 -41.9 84.54 Favored 'General case' 0 C--O 1.213 -0.851 0 CA-C-N 115.163 -0.926 . . . . 1.36 110.15 175.525 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -69.75 -42.37 73.99 Favored 'General case' 0 C--N 1.312 -1.042 0 C-N-CA 123.837 0.855 . . . . 2.09 111.455 177.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.456 ' HB2' HD12 ' A' ' 14' ' ' ILE . 2.3 tpm_? -66.25 -36.63 83.51 Favored 'General case' 0 C--N 1.311 -1.065 0 C-N-CA 124.512 1.125 . . . . 3.27 110.584 -172.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.497 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 43.5 m-85 -112.38 -8.51 13.9 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 113.22 0.822 . . . . 1.11 113.22 -174.62 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 66.39 8.0 5.38 Favored 'General case' 0 N--CA 1.504 2.262 0 C-N-CA 124.252 1.021 . . . . 2.02 111.552 -177.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.48 HG13 ' HB2' ' A' ' 54' ' ' PHE . 5.7 p -68.19 -45.84 82.28 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.39 0 C-N-CA 124.484 1.114 . . . . 1.87 113.584 -173.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.5 mmmp? 68.16 112.12 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.813 0 CA-C-O 122.119 0.961 . . . . 2.26 110.961 -171.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.589 HD13 HG12 ' A' ' 76' ' ' ILE . 40.6 mt -136.01 93.89 14.92 Favored Pre-proline 0 C--N 1.288 -2.078 0 N-CA-C 105.27 -2.122 . . . . 1.23 105.27 -177.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_endo -60.41 136.08 65.5 Favored 'Trans proline' 0 N--CA 1.452 -0.916 0 C-N-CA 122.012 1.808 . . . . 0.76 111.962 -175.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.545 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 25.8 t70 -40.89 -31.64 0.18 Allowed 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 124.803 1.241 . . . . 2.0 113.279 175.664 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -60.52 -56.79 17.16 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.783 0.801 . . . . 2.09 110.194 177.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -86.43 -20.63 27.89 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.14 -0.936 . . . . 1.58 111.54 -171.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.512 HG11 ' O ' ' A' ' 60' ' ' ASP . 3.8 p -63.81 -22.66 31.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.935 -0.575 . . . . 1.39 110.717 179.489 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.545 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 64.5 mttm -62.89 -19.7 64.43 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.845 -0.616 . . . . 2.97 112.12 -177.177 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 -82.38 -17.65 44.78 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.115 -0.493 . . . . 2.62 111.504 -178.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.658 HD12 ' HA ' ' A' ' 72' ' ' ALA . 69.1 mt -65.14 -66.38 0.55 Allowed 'General case' 0 N--CA 1.467 0.38 0 O-C-N 123.365 0.416 . . . . 1.67 111.758 -175.031 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt 73.3 -48.59 0.68 Allowed 'General case' 0 N--CA 1.491 1.59 0 C-N-CA 124.817 1.247 . . . . 3.58 112.889 178.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.667 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 35.0 p -107.46 162.2 14.15 Favored 'General case' 0 C--N 1.294 -1.806 0 CA-C-O 121.31 0.576 . . . . 1.09 112.155 -177.122 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.628 HG23 ' HA ' ' A' ' 28' ' ' LEU . 6.5 m -64.83 -37.6 80.6 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.284 0 CA-C-N 114.597 -1.183 . . . . 1.15 109.597 172.627 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.441 ' CA ' ' HG ' ' A' ' 28' ' ' LEU . . . -64.32 -46.62 90.18 Favored Glycine 0 N--CA 1.435 -1.371 0 CA-C-N 115.411 -0.813 . . . . 0.36 112.464 178.387 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.458 ' OD1' ' HA ' ' A' ' 66' ' ' LEU . 10.5 t70 -68.54 -35.59 77.65 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.646 -0.501 . . . . 1.79 109.646 -179.516 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.658 ' HA ' HD12 ' A' ' 66' ' ' LEU . . . -57.74 -59.33 5.37 Favored 'General case' 0 C--O 1.218 -0.561 0 N-CA-C 109.061 -0.718 . . . . 1.08 109.061 174.728 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.463 ' HA ' HG21 ' A' ' 7' ' ' ILE . 63.3 m -48.25 -46.58 35.77 Favored 'General case' 0 C--O 1.199 -1.584 0 C-N-CA 123.962 0.905 . . . . 1.15 112.249 172.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -61.15 -29.49 69.82 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-O 121.21 0.529 . . . . 3.35 111.849 178.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -77.22 -51.04 11.61 Favored 'General case' 0 C--N 1.31 -1.134 0 N-CA-C 107.115 -1.439 . . . . 1.19 107.115 177.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.589 HG12 HD13 ' A' ' 58' ' ' ILE . 72.4 mt -60.31 -51.27 74.96 Favored 'Isoleucine or valine' 0 C--O 1.187 -2.203 0 C-N-CA 124.54 1.136 . . . . 1.07 111.236 -178.455 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.55 ' HA ' HE21 ' A' ' 80' ' ' GLN . 31.0 tp -54.9 -35.74 64.44 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.015 0.526 . . . . 1.76 111.599 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -88.54 -28.25 20.89 Favored 'General case' 0 C--N 1.298 -1.669 0 CA-C-O 122.007 0.908 . . . . 0.67 111.385 -177.558 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 33.6 m-70 -99.18 5.75 46.66 Favored 'General case' 0 C--N 1.304 -1.403 0 CA-C-N 115.018 -0.992 . . . . 1.87 112.916 -177.435 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.55 HE21 ' HA ' ' A' ' 77' ' ' LEU . 78.5 mm-40 -39.06 139.41 0.48 Allowed 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 124.916 1.286 . . . . 1.31 113.311 178.257 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.431 -1.419 0 CA-C-N 115.29 -0.868 . . . . 2.36 109.182 178.139 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' SHW . . . . . 0.899 ' H38' ' HB ' ' A' ' 33' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.515 -0.394 0 N-CA-C 108.132 -1.062 . . . . 2.5 108.132 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -146.58 152.15 38.47 Favored 'General case' 0 CA--C 1.483 -1.622 0 N-CA-C 109.137 -0.69 . . . . 1.39 109.137 -177.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.573 ' O ' HG13 ' A' ' 7' ' ' ILE . 35.8 p -63.88 142.62 58.34 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 124.072 0.857 . . . . 1.6 109.466 178.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.509 ' HA ' HD12 ' A' ' 7' ' ' ILE . 23.7 mt-30 -60.62 -26.19 66.83 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 112.848 0.684 . . . . 1.66 112.848 -174.593 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -67.72 -38.9 84.23 Favored 'General case' 0 C--N 1.307 -1.263 0 N-CA-C 109.407 -0.59 . . . . 2.3 109.407 176.165 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -71.52 -34.04 69.72 Favored 'General case' 0 N--CA 1.435 -1.209 0 N-CA-C 108.383 -0.969 . . . . 1.92 108.383 -178.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.661 HG21 ' HA ' ' A' ' 73' ' ' THR . 36.9 mt -63.46 -55.97 19.82 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.992 0 CA-C-N 114.899 -1.046 . . . . 1.08 108.926 177.072 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 70.5 t -55.53 -38.15 48.39 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.9 0 CA-C-N 116.296 -0.411 . . . . 1.1 110.93 176.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.34 -42.96 98.97 Favored 'General case' 0 C--O 1.242 0.692 0 CA-C-O 121.064 0.459 . . . . 1.08 110.037 177.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.4 -37.11 94.31 Favored Glycine 0 C--O 1.217 -0.909 0 CA-C-N 115.463 -0.79 . . . . 0.31 111.347 176.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.476 ' O ' HG23 ' A' ' 15' ' ' VAL . 70.5 mt -64.48 -49.82 69.9 Favored 'General case' 0 N--CA 1.434 -1.256 0 N-CA-C 109.985 -0.376 . . . . 1.02 109.985 175.676 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.13 -43.29 70.38 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 123.677 0.791 . . . . 1.08 111.952 -179.275 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -64.52 -43.21 94.76 Favored 'General case' 0 C--O 1.239 0.509 0 N-CA-C 112.779 0.659 . . . . 1.46 112.779 179.051 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.528 HD13 ' HG2' ' A' ' 53' ' ' ARG . 96.4 mt -65.31 -46.93 89.05 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.194 0 CA-C-O 121.399 0.619 . . . . 1.16 110.392 179.066 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.632 HG13 ' HB ' ' A' ' 21' ' ' ILE . 98.9 t -58.74 -36.73 62.0 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 CA-C-N 115.436 -0.802 . . . . 1.1 110.919 -179.75 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -66.08 -34.27 77.7 Favored 'General case' 0 C--N 1.305 -1.334 0 C-N-CA 120.258 -0.577 . . . . 0.64 111.275 179.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -77.37 -50.32 13.02 Favored 'General case' 0 C--N 1.307 -1.241 0 CA-C-N 116.142 -0.481 . . . . 2.0 111.286 -179.098 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.513 HG23 ' HB2' ' A' ' 45' ' ' GLU . 80.6 mt -86.39 -53.5 10.19 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 N-CA-C 112.556 0.576 . . . . 1.1 112.556 -174.365 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.517 ' HB1' HG11 ' A' ' 38' ' ' VAL . . . -76.87 -32.27 57.38 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.239 0.542 . . . . 0.93 110.136 -177.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.22 31.06 29.23 Favored Glycine 0 CA--C 1.494 -1.221 0 N-CA-C 110.485 -1.046 . . . . 0.46 110.485 -178.35 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.632 ' HB ' HG13 ' A' ' 15' ' ' VAL . 46.9 mm -108.13 128.91 24.85 Favored Pre-proline 0 C--N 1.305 -1.359 0 CA-C-N 115.556 -0.322 . . . . 1.2 110.5 -176.079 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' A' ' 21' ' ' ILE . 16.3 Cg_exo -31.97 127.24 0.09 OUTLIER 'Trans proline' 0 N--CA 1.451 -1.029 1 C-N-CA 125.495 4.13 . . . . 0.47 114.035 172.201 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 84.1 t -57.74 -26.06 26.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 114.616 -1.175 . . . . 1.4 109.603 178.219 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -95.59 -8.92 33.63 Favored 'General case' 0 N--CA 1.426 -1.669 0 CA-C-N 115.454 -0.794 . . . . 2.34 112.421 -176.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.443 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 33.6 t70 -85.02 -26.58 26.96 Favored 'General case' 0 CA--C 1.504 -0.797 0 N-CA-C 106.981 -1.488 . . . . 0.69 106.981 177.045 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.523 HG13 HG12 ' A' ' 69' ' ' VAL . 73.5 t -73.4 84.79 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.716 0 CA-C-N 113.972 -1.467 . . . . 1.17 109.508 175.078 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.589 ' O ' HG22 ' A' ' 69' ' ' VAL . 87.4 mttt -95.01 -146.1 0.27 Allowed 'General case' 0 C--N 1.299 -1.629 0 CA-C-N 113.882 -1.508 . . . . 2.23 107.273 177.824 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.444 HD22 ' O ' ' A' ' 28' ' ' LEU . 6.0 tt -113.38 -18.46 12.02 Favored 'General case' 0 C--N 1.309 -1.183 0 CA-C-N 119.512 1.051 . . . . 1.7 111.772 -176.548 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -86.98 -7.08 58.5 Favored 'General case' 0 C--N 1.303 -1.455 0 CA-C-O 122.893 1.33 . . . . 2.11 109.474 178.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.651 ' O ' HG21 ' A' ' 69' ' ' VAL . 32.9 mmtm -76.45 100.09 5.11 Favored 'General case' 0 C--N 1.295 -1.799 0 CA-C-N 113.424 -1.716 . . . . 1.65 114.435 -172.261 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.636 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 8.0 m -73.6 110.42 7.87 Favored 'General case' 0 N--CA 1.399 -2.983 0 N-CA-C 106.808 -1.552 . . . . 1.66 106.808 170.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.835 ' HA ' HD11 ' A' ' 36' ' ' LEU . 95.1 m-85 -31.38 -80.9 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.674 1.19 . . . . 0.61 113.9 177.058 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.463 HG23 ' HB ' ' A' ' 38' ' ' VAL . 0.2 OUTLIER -79.76 48.34 0.93 Allowed 'General case' 0 C--N 1.297 -1.698 0 N-CA-C 114.353 1.242 . . . . 1.08 114.353 -179.824 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.636 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 23.9 t70 -158.57 -61.72 0.08 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.803 -0.635 . . . . 0.73 110.981 178.714 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.436 ' HB3' ' HD3' ' A' ' 30' ' ' LYS . 1.8 t70 -94.74 -34.34 12.57 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 116.121 -0.491 . . . . 1.46 110.052 -175.235 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.835 HD11 ' HA ' ' A' ' 32' ' ' PHE . 91.6 mt -79.91 -42.59 23.79 Favored 'General case' 0 C--O 1.243 0.753 0 CA-C-N 116.132 -0.486 . . . . 1.12 110.398 178.086 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.1 t70 74.45 85.28 0.1 Allowed 'General case' 0 CA--C 1.505 -0.781 0 O-C-N 124.623 1.202 . . . . 1.14 110.303 -175.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.517 HG11 ' HB1' ' A' ' 19' ' ' ALA . 86.7 t -94.11 -93.6 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.299 -1.594 0 CA-C-N 114.171 -1.377 . . . . 2.39 108.53 -179.577 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.3 t70 170.93 176.04 0.06 Allowed 'General case' 0 CA--C 1.494 -1.197 0 N-CA-C 103.534 -2.765 . . . . 0.79 103.534 -178.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.7 t -92.46 -37.12 12.71 Favored 'General case' 0 C--N 1.266 -3.061 0 N-CA-C 109.155 -0.683 . . . . 1.37 109.155 -175.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 91.2 mt -82.59 -34.79 27.57 Favored 'General case' 0 C--N 1.306 -1.319 0 CA-C-N 115.747 -0.661 . . . . 1.58 109.543 -176.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.434 ' O ' HG23 ' A' ' 46' ' ' VAL . 15.2 m -70.65 -23.48 62.52 Favored 'General case' 0 N--CA 1.436 -1.161 0 CA-C-N 114.978 -1.01 . . . . 1.26 109.608 -179.278 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.631 ' HE2' ' HB3' ' A' ' 32' ' ' PHE . 24.0 tpp -61.31 -48.4 81.51 Favored 'General case' 0 N--CA 1.438 -1.065 0 CA-C-N 115.593 -0.73 . . . . 1.22 110.949 179.393 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 57.7 t -67.86 -24.71 31.0 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.519 0 CA-C-N 115.449 -0.796 . . . . 1.25 110.762 -177.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.513 ' HB2' HG23 ' A' ' 18' ' ' ILE . 37.0 mt-10 -73.26 -36.63 66.4 Favored 'General case' 0 N--CA 1.431 -1.422 0 N-CA-C 108.575 -0.898 . . . . 2.08 108.575 178.763 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 42' ' ' SER . 85.4 t -61.32 -47.34 93.94 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.588 0 N-CA-C 108.5 -0.926 . . . . 1.21 108.5 174.512 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.575 HG12 HG21 ' A' ' 63' ' ' VAL . 97.9 t -52.85 -64.8 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 O-C-N 124.01 0.819 . . . . 1.1 109.886 177.767 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 85.2 t -45.83 -52.74 2.6 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 C-N-CA 123.489 0.716 . . . . 1.36 112.286 175.389 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.02 -33.46 76.1 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 112.347 0.499 . . . . 1.13 112.347 -177.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.21 -36.7 84.93 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.903 0.383 . . . . 1.14 110.415 179.219 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.588 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 32.6 mt-10 -61.94 -31.56 71.9 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-O 121.901 0.858 . . . . 1.36 110.272 179.715 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -82.59 -47.47 12.07 Favored 'General case' 0 C--N 1.302 -1.488 0 CA-C-N 114.736 -1.12 . . . . 2.09 109.913 -179.359 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.528 ' HG2' HD13 ' A' ' 14' ' ' ILE . 52.4 tpt85 -71.56 -34.3 69.86 Favored 'General case' 0 C--N 1.317 -0.816 0 C-N-CA 123.796 0.839 . . . . 3.27 112.328 -173.599 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.462 ' CD2' HG21 ' A' ' 76' ' ' ILE . 88.9 m-85 -100.31 -2.06 34.59 Favored 'General case' 0 C--N 1.298 -1.656 0 CA-C-N 115.975 -0.557 . . . . 1.11 111.428 -177.385 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 36.4 t70 69.51 -5.61 1.13 Allowed 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 123.971 0.908 . . . . 2.02 112.803 178.177 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.588 ' O ' ' HA ' ' A' ' 51' ' ' GLU . 8.1 p -106.61 126.31 62.43 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.88 0 O-C-N 121.885 -0.509 . . . . 1.87 110.699 -177.821 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.483 ' HB3' ' HZ3' ' A' ' 57' ' ' LYS . 4.0 mmmp? -70.18 123.39 21.5 Favored 'General case' 0 C--N 1.307 -1.246 0 CA-C-N 115.61 -0.723 . . . . 2.26 110.086 178.067 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.713 HG22 HG22 ' A' ' 63' ' ' VAL . 47.3 mt -132.42 103.44 13.71 Favored Pre-proline 0 C--N 1.304 -1.382 0 N-CA-C 107.131 -1.433 . . . . 1.23 107.131 -178.414 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -81.73 156.12 18.29 Favored 'Trans proline' 0 N--CA 1.433 -2.066 0 C-N-CA 121.219 1.279 . . . . 0.76 112.133 -177.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.635 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 3.5 m-20 -35.59 -48.26 0.51 Allowed 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 125.075 1.35 . . . . 2.0 111.587 174.043 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -49.42 -53.84 20.6 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.927 0.891 . . . . 2.09 113.146 -178.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.423 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 21.1 m-20 -75.3 -33.48 61.2 Favored 'General case' 0 CA--C 1.49 -1.356 0 CA-C-O 120.98 0.419 . . . . 1.58 110.432 -178.049 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.713 HG22 HG22 ' A' ' 58' ' ' ILE . 2.2 t -55.47 -32.3 29.65 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.214 0 CA-C-N 115.204 -0.907 . . . . 1.39 111.272 176.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.635 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 95.5 mttt -68.38 -19.99 64.66 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.497 -0.774 . . . . 2.97 112.291 179.6 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 45.1 m-20 -94.45 -6.08 44.79 Favored 'General case' 0 C--N 1.309 -1.187 0 N-CA-C 109.01 -0.737 . . . . 2.62 109.01 -178.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.842 HD12 ' HA ' ' A' ' 72' ' ' ALA . 58.7 mt -92.19 -66.09 0.95 Allowed 'General case' 0 N--CA 1.43 -1.446 0 CA-C-N 115.565 -0.743 . . . . 1.67 109.721 -177.355 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 1.117 ' HA ' ' H3 ' ' A' ' 101' ' ' SHW 0.437 0.0 OUTLIER 54.76 -6.34 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 117.874 2.546 . . . . 3.58 117.874 -179.735 . . . . . . . . 4 4 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.58 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 61.5 p -128.82 170.69 13.06 Favored 'General case' 0 CA--C 1.493 -1.243 0 O-C-N 121.405 -0.81 . . . . 1.09 109.776 173.351 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.651 HG21 ' O ' ' A' ' 30' ' ' LYS . 2.2 m -65.45 -47.55 86.33 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.738 0 CA-C-N 114.498 -1.228 . . . . 1.15 110.349 172.115 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.41 ' H ' HG23 ' A' ' 69' ' ' VAL . . . -62.19 -42.97 99.73 Favored Glycine 0 CA--C 1.498 -0.986 0 CA-C-N 116.198 -0.455 . . . . 0.36 112.368 -179.109 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.405 ' HB3' ' HA ' ' A' ' 66' ' ' LEU . 5.7 m-20 -68.32 -39.11 82.08 Favored 'General case' 0 CA--C 1.5 -0.952 0 CA-C-O 119.673 -0.204 . . . . 1.79 111.208 178.42 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.842 ' HA ' HD12 ' A' ' 66' ' ' LEU . . . -56.93 -55.13 38.54 Favored 'General case' 0 CA--C 1.51 -0.566 0 N-CA-C 108.354 -0.98 . . . . 1.08 108.354 175.726 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.661 ' HA ' HG21 ' A' ' 7' ' ' ILE . 91.4 m -48.32 -48.55 36.01 Favored 'General case' 0 N--CA 1.434 -1.23 0 C-N-CA 124.766 1.226 . . . . 1.15 112.536 173.266 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -61.45 -30.3 70.5 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 120.758 0.313 . . . . 3.35 111.64 -179.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.471 ' HB2' HD23 ' A' ' 66' ' ' LEU . 57.8 t80 -76.7 -44.71 32.42 Favored 'General case' 0 CA--C 1.492 -1.26 0 N-CA-C 107.52 -1.289 . . . . 1.19 107.52 177.085 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.556 HG12 HD13 ' A' ' 58' ' ' ILE . 84.7 mt -61.72 -49.92 82.35 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.717 0 CA-C-N 115.299 -0.864 . . . . 1.07 110.46 -178.727 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -55.93 -41.06 74.02 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-O 121.133 0.492 . . . . 1.76 110.998 179.106 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -81.09 -39.26 25.95 Favored 'General case' 0 C--N 1.299 -1.611 0 CA-C-N 115.586 -0.734 . . . . 0.67 112.715 -175.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -101.36 -3.45 28.77 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 115.011 1.486 . . . . 1.87 115.011 -172.389 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.404 ' NE2' HG23 ' A' ' 76' ' ' ILE . 11.2 pt20 -80.9 -177.27 6.31 Favored 'General case' 0 CA--C 1.51 -0.578 0 C-N-CA 118.873 -1.131 . . . . 1.31 111.958 -174.824 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.406 -2.667 0 N-CA-C 107.681 -1.229 . . . . 2.36 107.681 177.889 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' SHW . . . . . 1.117 ' H3 ' ' HA ' ' A' ' 67' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.484 ' HA ' ' HG3' ' A' ' 80' ' ' GLN . . . . . . . . 0 CA--C 1.504 -0.808 0 N-CA-C 108.281 -1.007 . . . . 2.5 108.281 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -93.94 165.82 12.47 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 119.709 -0.796 . . . . 1.39 109.623 -178.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.475 ' O ' HG13 ' A' ' 7' ' ' ILE . 0.3 OUTLIER -75.89 118.45 18.69 Favored 'General case' 0 N--CA 1.413 -2.314 0 N-CA-C 106.667 -1.605 . . . . 1.6 106.667 173.593 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -49.75 -37.65 30.56 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.212 0.605 . . . . 1.66 111.811 -175.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -63.14 -36.49 83.78 Favored 'General case' 0 C--N 1.305 -1.363 0 C-N-CA 124.091 0.956 . . . . 2.3 109.871 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -73.12 -32.4 64.92 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.261 -0.644 . . . . 1.92 109.261 178.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.527 HG23 ' HA ' ' A' ' 73' ' ' THR . 20.5 mt -68.23 -52.72 35.0 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.251 0 N-CA-C 107.675 -1.232 . . . . 1.08 107.675 178.447 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 74.1 t -55.93 -44.5 78.24 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.178 0 CA-C-N 115.679 -0.691 . . . . 1.1 110.382 175.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.84 -34.85 78.85 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.145 0.498 . . . . 1.08 110.81 177.368 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.32 -44.38 90.77 Favored Glycine 0 C--O 1.211 -1.292 0 N-CA-C 110.151 -1.179 . . . . 0.31 110.151 177.048 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 95.7 mt -59.96 -45.26 93.25 Favored 'General case' 0 C--N 1.312 -1.058 0 N-CA-C 109.235 -0.654 . . . . 1.02 109.235 175.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.455 ' HB2' ' HA ' ' A' ' 23' ' ' VAL . . . -55.51 -45.39 77.09 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-N 115.356 -0.838 . . . . 1.08 111.922 178.775 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -69.61 -32.12 70.66 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.728 0.64 . . . . 1.46 112.728 -179.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.4 mt -67.57 -54.04 26.69 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.232 0 N-CA-C 108.388 -0.967 . . . . 1.16 108.388 175.253 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.629 HG11 ' HB ' ' A' ' 21' ' ' ILE . 71.5 t -58.72 -41.57 82.82 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.237 0 CA-C-N 114.909 -1.041 . . . . 1.1 111.225 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -63.96 -33.17 75.12 Favored 'General case' 0 C--N 1.301 -1.53 0 CA-C-O 120.957 0.408 . . . . 0.64 111.649 179.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -77.89 -50.73 11.66 Favored 'General case' 0 C--N 1.304 -1.382 0 CA-C-N 115.606 -0.725 . . . . 2.0 110.852 -179.16 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.65 HG21 ' HB2' ' A' ' 45' ' ' GLU . 61.4 mt -88.91 -53.76 8.94 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.053 0 N-CA-C 112.513 0.56 . . . . 1.1 112.513 -173.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.77 ' HB1' HG11 ' A' ' 38' ' ' VAL . . . -74.05 -37.51 64.26 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 121.541 0.686 . . . . 0.93 109.737 -178.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.39 25.37 28.52 Favored Glycine 0 N--CA 1.447 -0.583 0 CA-C-N 114.966 -1.015 . . . . 0.46 110.828 -178.121 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.629 ' HB ' HG11 ' A' ' 15' ' ' VAL . 49.8 mm -99.93 130.93 25.29 Favored Pre-proline 0 C--N 1.311 -1.076 0 O-C-N 122.785 -0.244 . . . . 1.2 110.73 -176.517 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.501 ' HD2' ' HA ' ' A' ' 21' ' ' ILE . 7.5 Cg_exo -32.96 125.95 0.11 Allowed 'Trans proline' 0 C--N 1.358 1.052 1 C-N-CA 125.817 4.345 . . . . 0.47 114.627 173.692 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.455 ' HA ' ' HB2' ' A' ' 12' ' ' ALA . 85.9 t -57.82 -29.58 35.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 114.182 -1.372 . . . . 1.4 109.739 178.621 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -104.15 11.14 35.44 Favored 'General case' 0 N--CA 1.42 -1.93 0 N-CA-C 112.916 0.71 . . . . 2.34 112.916 -176.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.415 ' O ' ' HE3' ' A' ' 30' ' ' LYS . 16.0 t70 -97.44 -26.38 14.87 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 105.441 -2.059 . . . . 0.69 105.441 170.042 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.548 HG13 HG12 ' A' ' 69' ' ' VAL . 58.4 t -74.03 87.1 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.962 0 CA-C-N 113.948 -1.478 . . . . 1.17 109.333 175.814 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.49 ' O ' HG23 ' A' ' 69' ' ' VAL . 94.4 mttt -98.25 -142.29 0.31 Allowed 'General case' 0 C--N 1.293 -1.871 0 CA-C-N 113.483 -1.689 . . . . 2.23 108.091 178.241 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.1 tt -116.16 -20.63 9.76 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-N 119.407 1.003 . . . . 1.7 111.504 -176.568 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -84.39 -11.99 55.27 Favored 'General case' 0 C--N 1.302 -1.471 0 CA-C-O 122.344 1.068 . . . . 2.11 109.531 -179.228 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.703 ' O ' HG22 ' A' ' 69' ' ' VAL . 55.8 mmtt -73.71 120.04 18.76 Favored 'General case' 0 C--N 1.293 -1.885 0 CA-C-N 114.23 -1.35 . . . . 1.65 114.609 -170.349 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.7 m -79.96 109.48 14.44 Favored 'General case' 0 N--CA 1.399 -3.015 0 N-CA-C 107.493 -1.299 . . . . 1.66 107.493 170.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.836 ' HA ' HD13 ' A' ' 36' ' ' LEU . 45.5 m-85 -31.49 -89.27 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.701 0 C-N-CA 124.627 1.171 . . . . 0.61 114.085 175.217 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.551 HG21 ' HB ' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -75.91 58.73 1.18 Allowed 'General case' 0 C--N 1.29 -1.995 0 N-CA-C 113.171 0.804 . . . . 1.08 113.171 177.845 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -167.76 -64.61 0.03 OUTLIER 'General case' 0 C--O 1.217 -0.641 0 CA-C-N 116.037 -0.529 . . . . 0.73 111.447 177.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -88.77 -45.24 9.94 Favored 'General case' 0 CA--C 1.501 -0.911 0 N-CA-C 109.022 -0.733 . . . . 1.46 109.022 -176.133 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.836 HD13 ' HA ' ' A' ' 32' ' ' PHE . 94.1 mt -69.53 -47.79 62.61 Favored 'General case' 0 CA--C 1.504 -0.796 0 N-CA-C 107.483 -1.303 . . . . 1.12 107.483 175.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 38.8 t70 72.41 91.11 0.09 Allowed 'General case' 0 CA--C 1.506 -0.746 0 CA-C-N 113.666 -1.606 . . . . 1.14 110.655 178.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.77 HG11 ' HB1' ' A' ' 19' ' ' ALA . 95.9 t -93.87 -90.63 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.291 -1.964 0 CA-C-N 113.126 -1.852 . . . . 2.39 108.552 -174.222 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.5 t70 171.07 172.08 0.08 Allowed 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 104.394 -2.447 . . . . 0.79 104.394 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.481 ' HB3' ' H28' ' A' ' 101' ' ' SHW . 0.7 OUTLIER -82.49 -43.12 17.59 Favored 'General case' 0 C--N 1.258 -3.375 0 N-CA-C 108.258 -1.016 . . . . 1.37 108.258 -173.713 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 93.4 mt -86.8 -35.3 19.2 Favored 'General case' 0 C--N 1.301 -1.512 0 CA-C-N 114.029 -1.442 . . . . 1.58 110.368 -175.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.552 ' OG ' HG23 ' A' ' 18' ' ' ILE . 23.0 t -61.86 -31.23 71.48 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.662 -1.154 . . . . 1.26 108.66 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.612 ' HE1' ' HB3' ' A' ' 32' ' ' PHE . 30.2 tpp -60.65 -39.74 89.46 Favored 'General case' 0 N--CA 1.436 -1.144 0 CA-C-N 114.768 -1.106 . . . . 1.22 111.749 178.821 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 38.7 t -70.96 -29.44 37.22 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-O 121.263 0.554 . . . . 1.25 109.754 -175.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.65 ' HB2' HG21 ' A' ' 18' ' ' ILE . 5.7 mm-40 -72.22 -40.74 67.55 Favored 'General case' 0 N--CA 1.427 -1.592 0 N-CA-C 107.704 -1.221 . . . . 2.08 107.704 178.1 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.447 HG21 ' O ' ' A' ' 42' ' ' SER . 92.4 t -56.37 -50.11 73.62 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-N 115.594 -0.73 . . . . 1.21 109.413 175.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.49 HG21 ' O ' ' A' ' 43' ' ' MET . 94.5 t -50.28 -63.53 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 O-C-N 123.911 0.757 . . . . 1.1 109.756 176.337 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 97.1 t -51.97 -47.11 42.24 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.403 0 CA-C-N 115.899 -0.591 . . . . 1.36 112.54 178.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.36 -25.83 66.17 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.44 0.533 . . . . 1.13 112.44 -178.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.83 -35.14 79.38 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.093 0.473 . . . . 1.14 110.014 178.207 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.587 ' HG2' ' H ' ' A' ' 58' ' ' ILE . 31.3 mt-10 -65.77 -24.66 66.99 Favored 'General case' 0 C--O 1.213 -0.844 0 C-N-CA 123.664 0.786 . . . . 1.36 109.515 178.16 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -83.54 -48.67 10.02 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-O 121.321 0.582 . . . . 2.09 109.501 175.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.3 tpm_? -68.09 -34.12 75.81 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 123.763 0.825 . . . . 3.27 111.519 -172.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.465 ' CD2' HD12 ' A' ' 76' ' ' ILE . 38.8 m-85 -114.07 -3.52 13.28 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-N 115.912 -0.585 . . . . 1.11 112.006 -176.126 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.0 t70 72.3 -23.24 0.2 Allowed 'General case' 0 N--CA 1.506 2.338 0 C-N-CA 125.698 1.599 . . . . 2.02 112.269 -179.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.488 ' O ' ' HA ' ' A' ' 51' ' ' GLU . 4.8 p -75.66 122.23 29.12 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.114 0 CA-C-O 121.241 0.543 . . . . 1.87 110.32 -175.476 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.5 tptm -72.34 113.24 9.16 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 107.772 -1.196 . . . . 2.26 107.772 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.587 ' H ' ' HG2' ' A' ' 51' ' ' GLU . 37.9 mt -116.86 99.48 52.92 Favored Pre-proline 0 C--N 1.298 -1.671 0 N-CA-C 106.359 -1.719 . . . . 1.23 106.359 -178.2 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -69.5 133.86 27.09 Favored 'Trans proline' 0 N--CA 1.446 -1.298 0 C-N-CA 122.087 1.858 . . . . 0.76 113.555 -173.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -37.53 -33.25 0.07 Allowed 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 125.771 1.628 . . . . 2.0 113.956 172.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.473 ' HA ' ' HE2' ' A' ' 64' ' ' LYS . 27.3 t70 -75.12 -46.3 35.42 Favored 'General case' 0 C--N 1.296 -1.741 0 N-CA-C 112.109 0.411 . . . . 2.09 112.109 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -86.64 -21.79 26.53 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-O 121.716 0.77 . . . . 1.58 110.916 -174.19 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.518 HG12 ' S1 ' ' A' ' 101' ' ' SHW . 6.0 p -65.01 -21.49 29.58 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.871 0 CA-C-N 115.392 -0.822 . . . . 1.39 110.679 178.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.473 ' HE2' ' HA ' ' A' ' 61' ' ' ASP . 57.6 mttm -63.14 -9.97 13.01 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 115.503 -0.772 . . . . 2.97 112.916 -176.313 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -94.77 -4.09 47.92 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 120.571 0.224 . . . . 2.62 111.474 -179.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.817 HD13 ' HA ' ' A' ' 72' ' ' ALA . 72.8 mt -84.54 -69.96 0.61 Allowed 'General case' 0 C--O 1.217 -0.64 0 N-CA-C 112.07 0.396 . . . . 1.67 112.07 -175.554 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.531 ' H ' ' H3 ' ' A' ' 101' ' ' SHW 0.412 0.0 OUTLIER 62.41 -29.65 0.08 Allowed 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 117.0 2.222 . . . . 3.58 117.0 177.279 . . . . . . . . 4 4 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 65.9 p -110.2 166.17 11.17 Favored 'General case' 0 CA--C 1.485 -1.541 0 O-C-N 121.514 -0.741 . . . . 1.09 109.823 174.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.703 HG22 ' O ' ' A' ' 30' ' ' LYS . 4.0 m -68.2 -39.59 81.43 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.015 0 CA-C-N 114.708 -1.133 . . . . 1.15 109.799 173.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -62.41 -47.97 85.63 Favored Glycine 0 N--CA 1.438 -1.174 0 CA-C-N 116.031 -0.531 . . . . 0.36 112.101 177.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -65.7 -39.63 91.43 Favored 'General case' 0 CA--C 1.5 -0.947 0 CA-C-N 116.714 0.257 . . . . 1.79 111.359 179.037 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.817 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -56.72 -58.65 7.18 Favored 'General case' 0 CA--C 1.516 -0.336 0 N-CA-C 109.085 -0.709 . . . . 1.08 109.085 176.067 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.527 ' HA ' HG23 ' A' ' 7' ' ' ILE . 87.3 m -48.23 -51.5 25.24 Favored 'General case' 0 C--O 1.189 -2.103 0 C-N-CA 123.953 0.901 . . . . 1.15 111.881 173.21 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.437 ' HE2' ' HB3' ' A' ' 74' ' ' LYS . 3.9 tmmm? -54.24 -35.82 62.88 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 123.862 0.865 . . . . 3.35 111.788 179.302 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.429 ' HB2' HD21 ' A' ' 66' ' ' LEU . 37.3 t80 -71.53 -54.02 11.9 Favored 'General case' 0 C--O 1.199 -1.579 0 N-CA-C 107.789 -1.189 . . . . 1.19 107.789 178.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.492 HG12 HD12 ' A' ' 58' ' ' ILE . 71.0 mt -57.96 -48.94 82.84 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.282 0 C-N-CA 124.566 1.146 . . . . 1.07 110.823 -179.145 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 55.0 tp -51.0 -40.11 57.31 Favored 'General case' 0 C--N 1.307 -1.277 0 C-N-CA 124.388 1.075 . . . . 1.76 111.386 178.232 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -88.23 -41.78 12.71 Favored 'General case' 0 C--N 1.303 -1.438 0 CA-C-O 121.697 0.761 . . . . 0.67 111.508 -177.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 62.7 m-70 -84.36 5.68 26.06 Favored 'General case' 0 C--N 1.296 -1.745 0 CA-C-N 114.526 -1.215 . . . . 1.87 113.75 -173.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.484 ' HG3' ' HA ' ' A' ' 1' ' ' ALA . 34.2 mm-40 -37.32 126.5 1.03 Allowed 'General case' 0 N--CA 1.491 1.596 0 C-N-CA 123.929 0.892 . . . . 1.31 111.084 174.317 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.299 -1.607 0 N-CA-C 108.048 -1.093 . . . . 2.36 108.048 179.482 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' SHW . . . . . 0.531 ' H3 ' ' H ' ' A' ' 67' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.429 ' HA ' ' HG3' ' A' ' 80' ' ' GLN . . . . . . . . 0 CA--C 1.506 -0.732 0 N-CA-C 108.74 -0.837 . . . . 2.5 108.74 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -126.84 154.4 44.39 Favored 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 107.733 -1.21 . . . . 1.39 107.733 177.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.585 ' O ' HG13 ' A' ' 7' ' ' ILE . 0.3 OUTLIER -67.55 125.87 27.52 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 107.527 -1.286 . . . . 1.6 107.527 -178.574 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.476 ' O ' HG22 ' A' ' 8' ' ' VAL . 20.7 mt-30 -54.7 -40.19 68.94 Favored 'General case' 0 C--O 1.214 -0.78 0 N-CA-C 112.962 0.727 . . . . 1.66 112.962 -169.807 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -82.15 -23.43 35.6 Favored 'General case' 0 C--N 1.287 -2.115 0 CA-C-O 121.157 0.504 . . . . 2.3 110.8 -175.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.513 ' HB3' ' O ' ' A' ' 3' ' ' THR . 36.0 tt0 -67.2 -35.72 80.21 Favored 'General case' 0 C--N 1.31 -1.137 0 N-CA-C 107.658 -1.238 . . . . 1.92 107.658 172.801 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.585 HG13 ' O ' ' A' ' 3' ' ' THR . 26.2 mt -68.13 -52.81 34.47 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.077 0 N-CA-C 107.717 -1.216 . . . . 1.08 107.717 174.429 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.785 HG21 HD11 ' A' ' 28' ' ' LEU . 93.1 t -52.51 -41.57 36.83 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.851 0 C-N-CA 123.252 0.621 . . . . 1.1 111.521 177.734 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.36 -36.55 84.08 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.955 0.407 . . . . 1.08 110.224 177.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.84 -41.93 87.4 Favored Glycine 0 C--O 1.206 -1.595 0 N-CA-C 110.404 -1.078 . . . . 0.31 110.404 176.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.515 ' O ' HG23 ' A' ' 15' ' ' VAL . 85.1 mt -62.81 -49.07 76.41 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-O 120.59 0.233 . . . . 1.02 110.433 176.625 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.96 -44.75 67.36 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 124.189 0.996 . . . . 1.08 111.874 -178.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.466 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 16.8 pt-20 -66.57 -38.67 87.56 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 120.393 -0.523 . . . . 1.46 112.16 -179.449 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 90.3 mt -63.91 -47.32 91.14 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.959 0 C-N-CA 123.411 0.684 . . . . 1.16 109.415 176.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.516 HG13 ' HB ' ' A' ' 21' ' ' ILE . 83.9 t -56.88 -36.33 49.62 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.793 0 CA-C-N 115.354 -0.839 . . . . 1.1 110.89 179.401 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -71.54 -29.91 65.29 Favored 'General case' 0 C--N 1.299 -1.617 0 CA-C-O 120.929 0.395 . . . . 0.64 111.37 -178.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.466 ' HG2' ' O ' ' A' ' 13' ' ' GLU . 68.8 mm-40 -76.93 -46.73 23.2 Favored 'General case' 0 N--CA 1.434 -1.257 0 CA-C-N 116.162 -0.472 . . . . 2.0 111.218 179.694 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.528 HG21 ' HB2' ' A' ' 45' ' ' GLU . 72.9 mt -90.84 -53.69 8.57 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.237 0 CA-C-N 115.631 -0.713 . . . . 1.1 112.334 -173.134 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.565 ' HB3' HG11 ' A' ' 38' ' ' VAL . . . -79.27 -39.88 31.91 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.261 0.553 . . . . 0.93 109.717 -178.009 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 92.97 20.43 33.5 Favored Glycine 0 N--CA 1.445 -0.701 0 CA-C-N 115.337 -0.847 . . . . 0.46 111.056 -178.247 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.516 ' HB ' HG13 ' A' ' 15' ' ' VAL . 49.0 mm -96.84 136.13 21.8 Favored Pre-proline 0 C--N 1.31 -1.114 0 N-CA-C 110.134 -0.321 . . . . 1.2 110.134 -176.308 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.487 ' HD2' ' HA ' ' A' ' 21' ' ' ILE . 2.8 Cg_exo -35.68 126.12 0.31 Allowed 'Trans proline' 0 C--N 1.357 1.009 0 C-N-CA 125.25 3.967 . . . . 0.47 114.214 174.022 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 92.4 t -63.02 -19.76 24.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 114.635 -1.166 . . . . 1.4 109.191 178.252 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -96.74 -8.1 32.17 Favored 'General case' 0 N--CA 1.418 -2.027 0 CA-C-N 114.581 -1.191 . . . . 2.34 111.934 -176.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.432 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 9.1 t70 -92.16 -18.12 23.94 Favored 'General case' 0 C--N 1.314 -0.949 0 N-CA-C 108.002 -1.11 . . . . 0.69 108.002 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.568 HG12 HG13 ' A' ' 69' ' ' VAL . 56.1 t -77.48 87.25 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.436 -1.174 0 CA-C-N 114.169 -1.378 . . . . 1.17 109.311 177.208 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -96.24 -136.98 0.24 Allowed 'General case' 0 C--N 1.298 -1.65 0 CA-C-N 113.578 -1.646 . . . . 2.23 107.209 177.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.785 HD11 HG21 ' A' ' 8' ' ' VAL . 7.7 mp -122.41 -13.66 8.0 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 119.144 0.883 . . . . 1.7 113.145 174.281 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -85.88 -12.61 50.24 Favored 'General case' 0 C--N 1.304 -1.377 0 CA-C-O 122.163 0.982 . . . . 2.11 109.678 -178.145 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.672 ' O ' HG21 ' A' ' 69' ' ' VAL . 61.7 mmtt -78.9 125.86 29.94 Favored 'General case' 0 C--N 1.3 -1.57 0 CA-C-N 113.967 -1.47 . . . . 1.65 112.396 -171.049 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.501 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 4.2 m -91.54 109.56 20.86 Favored 'General case' 0 N--CA 1.397 -3.125 0 N-CA-C 106.236 -1.764 . . . . 1.66 106.236 173.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.671 ' HA ' HD11 ' A' ' 36' ' ' LEU . 54.9 m-85 -28.06 -84.16 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 124.768 1.227 . . . . 0.61 114.191 178.692 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.693 HG21 ' HB ' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -81.86 67.14 7.73 Favored 'General case' 0 C--N 1.291 -1.971 0 N-CA-C 114.126 1.158 . . . . 1.08 114.126 177.132 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.487 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 22.1 t70 -175.03 -57.0 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.381 -0.827 . . . . 0.73 109.47 175.459 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -86.05 -41.15 15.05 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.215 -0.902 . . . . 1.46 110.887 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.671 HD11 ' HA ' ' A' ' 32' ' ' PHE . 89.6 mt -84.95 -50.05 7.82 Favored 'General case' 0 C--N 1.315 -0.916 0 N-CA-C 109.377 -0.601 . . . . 1.12 109.377 179.439 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.2 t70 82.08 90.08 0.04 OUTLIER 'General case' 0 CA--C 1.502 -0.866 0 C-N-CA 125.281 1.432 . . . . 1.14 111.318 -178.62 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.693 ' HB ' HG21 ' A' ' 33' ' ' THR . 63.8 t -104.39 -95.39 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.298 -1.639 0 CA-C-N 114.109 -1.405 . . . . 2.39 109.491 -176.086 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 11.8 t70 173.32 -177.77 0.07 Allowed 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 103.332 -2.84 . . . . 0.79 103.332 -178.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 41.3 t -93.23 -42.53 9.3 Favored 'General case' 0 C--N 1.278 -2.508 0 N-CA-C 108.365 -0.976 . . . . 1.37 108.365 -179.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 57.2 mt -78.44 -33.62 48.36 Favored 'General case' 0 N--CA 1.431 -1.386 0 CA-C-N 114.841 -1.072 . . . . 1.58 109.734 -174.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.473 ' HB2' HG12 ' A' ' 38' ' ' VAL . 15.7 m -72.69 -25.95 61.43 Favored 'General case' 0 N--CA 1.431 -1.401 0 CA-C-N 115.387 -0.824 . . . . 1.26 109.051 177.451 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.616 ' HE1' ' HB3' ' A' ' 32' ' ' PHE . 28.9 tpp -64.41 -48.31 75.87 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 115.746 -0.661 . . . . 1.22 110.596 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.416 ' O ' HG21 ' A' ' 48' ' ' VAL . 22.2 t -69.74 -23.7 26.14 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.182 0 CA-C-N 115.401 -0.818 . . . . 1.25 110.853 -176.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.528 ' HB2' HG21 ' A' ' 18' ' ' ILE . 22.0 mm-40 -69.13 -39.77 78.66 Favored 'General case' 0 N--CA 1.441 -0.918 0 N-CA-C 109.246 -0.65 . . . . 2.08 109.246 175.342 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.426 HG21 ' O ' ' A' ' 42' ' ' SER . 87.7 t -60.64 -44.85 97.81 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.572 0 N-CA-C 108.789 -0.819 . . . . 1.21 108.789 176.789 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.604 HG23 HG22 ' A' ' 63' ' ' VAL . 46.8 t -54.02 -63.53 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 O-C-N 123.932 0.77 . . . . 1.1 109.486 176.81 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.482 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 67.7 t -49.12 -51.68 12.49 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 O-C-N 123.621 0.576 . . . . 1.36 111.991 176.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.79 -33.71 76.29 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 112.332 0.493 . . . . 1.13 112.332 -178.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.41 -36.38 83.55 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-O 120.65 0.262 . . . . 1.14 110.701 178.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.482 ' OE1' ' HA ' ' A' ' 48' ' ' VAL . 40.7 mt-10 -60.31 -47.29 86.66 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 109.421 -0.585 . . . . 1.36 109.421 177.396 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -64.98 -38.38 90.78 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 114.847 -1.069 . . . . 2.09 110.523 179.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 39.2 tpt85 -74.62 -35.66 62.92 Favored 'General case' 0 C--N 1.312 -1.065 0 CA-C-N 115.391 -0.822 . . . . 3.27 111.662 -174.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.529 ' CD2' HD12 ' A' ' 76' ' ' ILE . 32.6 m-85 -107.29 2.41 24.56 Favored 'General case' 0 C--N 1.298 -1.663 0 N-CA-C 112.937 0.717 . . . . 1.11 112.937 -175.446 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.0 t70 66.11 22.24 11.12 Favored 'General case' 0 N--CA 1.482 1.157 0 CA-C-O 122.12 0.962 . . . . 2.02 110.28 178.16 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.477 HG22 ' HB2' ' A' ' 54' ' ' PHE . 31.4 m -108.73 -171.67 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 CA-C-N 115.615 -0.721 . . . . 1.87 111.381 -177.138 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.7 mmmt -132.83 125.95 31.19 Favored 'General case' 0 N--CA 1.437 -1.12 0 N-CA-C 108.239 -1.023 . . . . 2.26 108.239 174.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.551 HD12 HG12 ' A' ' 76' ' ' ILE . 42.1 mt -137.38 99.74 9.6 Favored Pre-proline 0 C--N 1.303 -1.413 0 N-CA-C 107.144 -1.428 . . . . 1.23 107.144 -177.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -72.67 138.11 28.64 Favored 'Trans proline' 0 C--N 1.318 -1.065 0 C-N-CA 121.977 1.785 . . . . 0.76 112.349 -178.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.454 ' HA ' ' CG1' ' A' ' 63' ' ' VAL . 5.6 p-10 -55.55 -18.59 7.73 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.31 1.044 . . . . 2.0 111.934 176.605 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -73.59 -46.24 48.36 Favored 'General case' 0 C--N 1.308 -1.21 0 C-N-CA 123.119 0.568 . . . . 2.09 111.433 176.229 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -86.7 -30.89 21.34 Favored 'General case' 0 CA--C 1.504 -0.801 0 CA-C-O 121.004 0.431 . . . . 1.58 110.995 -174.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.604 HG22 HG23 ' A' ' 47' ' ' VAL . 4.3 p -55.74 -22.18 12.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.025 -0.989 . . . . 1.39 111.862 -177.438 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.632 ' HA ' ' S1 ' ' A' ' 101' ' ' SHW . 66.7 mttm -60.9 -17.95 53.67 Favored 'General case' 0 N--CA 1.44 -0.971 0 CA-C-N 115.247 -0.888 . . . . 2.97 112.586 -178.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -92.08 -6.74 50.38 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.658 -0.246 . . . . 2.62 111.213 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.829 HD12 ' HA ' ' A' ' 72' ' ' ALA . 67.3 mt -77.38 -70.77 0.45 Allowed 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.715 -0.394 . . . . 1.67 110.547 -176.646 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.712 ' H ' ' H3 ' ' A' ' 101' ' ' SHW . 48.2 mtmt 74.99 -47.44 0.62 Allowed 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 124.617 1.167 . . . . 3.58 113.42 175.519 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.501 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 58.3 p -104.68 161.12 14.41 Favored 'General case' 0 N--CA 1.417 -2.108 0 CA-C-O 121.621 0.724 . . . . 1.09 111.971 -177.299 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.697 HG23 ' HA ' ' A' ' 28' ' ' LEU . 4.6 m -66.35 -31.44 53.64 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.989 0 CA-C-N 114.051 -1.431 . . . . 1.15 110.469 175.819 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -75.49 -40.73 31.92 Favored Glycine 0 N--CA 1.435 -1.383 0 CA-C-N 115.678 -0.692 . . . . 0.36 111.651 178.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.445 ' OD1' ' HA ' ' A' ' 66' ' ' LEU . 10.2 t70 -73.54 -34.3 65.13 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.666 -0.494 . . . . 1.79 109.666 -178.366 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.829 ' HA ' HD12 ' A' ' 66' ' ' LEU . . . -56.77 -57.91 10.41 Favored 'General case' 0 CA--C 1.515 -0.378 0 N-CA-C 109.234 -0.654 . . . . 1.08 109.234 175.108 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.494 HG22 ' HB ' ' A' ' 7' ' ' ILE . 97.7 m -47.95 -48.46 32.09 Favored 'General case' 0 C--O 1.2 -1.536 0 C-N-CA 123.794 0.838 . . . . 1.15 112.17 172.73 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 28.5 ttpp -56.25 -34.86 66.78 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.29 0.636 . . . . 3.35 111.949 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.464 ' HB2' HD22 ' A' ' 66' ' ' LEU . 75.6 t80 -73.7 -41.34 62.73 Favored 'General case' 0 C--O 1.201 -1.486 0 N-CA-C 108.843 -0.799 . . . . 1.19 108.843 178.405 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.551 HG12 HD12 ' A' ' 58' ' ' ILE . 68.9 mt -68.41 -44.75 83.16 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.339 0 CA-C-N 115.837 -0.62 . . . . 1.07 109.483 -178.441 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.476 HD23 ' HG2' ' A' ' 4' ' ' GLN . 64.8 tp -54.01 -33.94 58.55 Favored 'General case' 0 C--N 1.316 -0.853 0 C-N-CA 124.408 1.083 . . . . 1.76 110.46 176.491 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -88.09 -40.73 13.56 Favored 'General case' 0 C--N 1.305 -1.369 0 CA-C-N 115.402 -0.817 . . . . 0.67 111.089 -178.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.42 ' HB2' ' O ' ' A' ' 75' ' ' TYR . 0.8 OUTLIER -87.06 5.2 38.78 Favored 'General case' 0 C--N 1.309 -1.161 0 N-CA-C 113.294 0.85 . . . . 1.87 113.294 -172.897 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.429 ' HG3' ' HA ' ' A' ' 1' ' ' ALA . 83.0 mm-40 -40.07 128.92 2.23 Favored 'General case' 0 C--O 1.244 0.799 0 O-C-N 124.093 0.871 . . . . 1.31 111.454 174.506 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.362 0 O-C-N 123.939 0.774 . . . . 2.36 111.861 -175.841 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' SHW . . . . . 0.712 ' H3 ' ' H ' ' A' ' 67' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.428 ' HA ' ' HG3' ' A' ' 80' ' ' GLN . . . . . . . . 0 CA--C 1.508 -0.673 0 N-CA-C 108.216 -1.031 . . . . 2.5 108.216 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -125.28 -172.44 2.59 Favored 'General case' 0 N--CA 1.435 -1.196 0 N-CA-C 108.058 -1.089 . . . . 1.39 108.058 -175.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.426 ' O ' HG13 ' A' ' 7' ' ' ILE . 62.5 m -101.32 119.68 39.13 Favored 'General case' 0 N--CA 1.403 -2.8 0 N-CA-C 107.309 -1.367 . . . . 1.6 107.309 175.731 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -44.64 -37.27 3.53 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.87 1.268 . . . . 1.66 112.892 -177.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -63.07 -35.2 79.45 Favored 'General case' 0 C--N 1.31 -1.141 0 C-N-CA 123.931 0.892 . . . . 2.3 110.824 -177.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -80.27 -30.45 38.36 Favored 'General case' 0 N--CA 1.437 -1.123 0 CA-C-N 115.365 -0.834 . . . . 1.92 109.853 -179.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.601 ' HB ' HG22 ' A' ' 73' ' ' THR . 25.5 mt -69.17 -52.9 28.9 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.211 0 N-CA-C 107.996 -1.113 . . . . 1.08 107.996 178.711 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.862 HG21 HD13 ' A' ' 28' ' ' LEU . 93.3 t -58.08 -33.93 47.86 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-N 116.151 -0.477 . . . . 1.1 110.613 175.362 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.498 ' O ' ' HG2' ' A' ' 13' ' ' GLU . . . -65.81 -41.51 91.79 Favored 'General case' 0 N--CA 1.445 -0.685 0 N-CA-C 109.848 -0.427 . . . . 1.08 109.848 177.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.14 -43.7 89.23 Favored Glycine 0 CA--C 1.495 -1.194 0 N-CA-C 110.773 -0.931 . . . . 0.31 110.773 178.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.449 ' HA ' HD12 ' A' ' 14' ' ' ILE . 86.8 mt -59.36 -42.17 90.97 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.592 -0.304 . . . . 1.02 110.651 176.808 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.41 -39.07 78.75 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 123.141 0.577 . . . . 1.08 110.874 177.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.498 ' HG2' ' O ' ' A' ' 9' ' ' ALA . 24.8 mm-40 -61.83 -52.98 61.95 Favored 'General case' 0 CA--C 1.503 -0.831 0 CA-C-O 121.645 0.736 . . . . 1.46 109.634 176.607 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.449 HD12 ' HA ' ' A' ' 11' ' ' LEU . 93.4 mt -54.78 -52.16 45.0 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 CA-C-N 113.702 -1.59 . . . . 1.16 110.332 -179.305 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.515 HG11 ' HB ' ' A' ' 21' ' ' ILE . 91.7 t -62.58 -37.43 78.9 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.981 0 CA-C-N 115.62 -0.718 . . . . 1.1 111.45 179.605 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.438 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 4.0 t-20 -64.07 -39.36 93.9 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-O 121.277 0.56 . . . . 0.64 109.601 179.33 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -71.87 -63.95 1.03 Allowed 'General case' 0 C--N 1.303 -1.434 0 CA-C-N 114.771 -1.104 . . . . 2.0 111.474 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.421 HG22 ' HB3' ' A' ' 42' ' ' SER . 76.0 mt -77.45 -52.84 15.66 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.2 0 CA-C-N 115.845 -0.616 . . . . 1.1 112.353 -171.147 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.498 ' HB1' HG11 ' A' ' 38' ' ' VAL . . . -77.6 -29.11 51.76 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-O 120.726 0.298 . . . . 0.93 110.392 -177.181 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.61 39.76 33.94 Favored Glycine 0 N--CA 1.442 -0.929 0 N-CA-C 110.709 -0.956 . . . . 0.46 110.709 -177.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.515 ' HB ' HG11 ' A' ' 15' ' ' VAL . 51.4 mm -117.82 136.66 23.8 Favored Pre-proline 0 C--N 1.314 -0.973 0 N-CA-C 109.202 -0.666 . . . . 1.2 109.202 -178.274 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.474 ' HD2' ' HA ' ' A' ' 21' ' ' ILE . 2.9 Cg_exo -35.74 122.84 0.25 Allowed 'Trans proline' 0 C--N 1.352 0.759 1 C-N-CA 125.504 4.136 . . . . 0.47 114.932 175.335 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 83.3 t -52.77 -42.47 42.25 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.626 0 CA-C-N 114.132 -1.395 . . . . 1.4 108.135 175.242 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -75.69 -22.25 56.84 Favored 'General case' 0 C--N 1.292 -1.928 0 CA-C-N 113.523 -1.671 . . . . 2.34 113.476 -174.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -82.53 -15.8 51.01 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 119.581 -0.848 . . . . 0.69 109.435 -179.269 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.616 HG13 HG11 ' A' ' 69' ' ' VAL . 55.1 t -78.34 79.22 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.308 -1.23 0 C-N-CA 125.081 1.352 . . . . 1.17 110.312 179.773 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.51 ' O ' HG21 ' A' ' 69' ' ' VAL . 11.4 pttm -116.01 169.45 9.24 Favored 'General case' 0 N--CA 1.424 -1.733 0 CA-C-N 113.615 -1.629 . . . . 2.23 106.83 174.284 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.862 HD13 HG21 ' A' ' 8' ' ' VAL . 6.6 mp -74.01 9.85 1.41 Allowed 'General case' 0 N--CA 1.484 1.241 0 N-CA-C 116.281 1.956 . . . . 1.7 116.281 -165.017 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -97.9 -3.26 38.94 Favored 'General case' 0 C--N 1.286 -2.165 0 CA-C-O 122.488 1.137 . . . . 2.11 108.89 178.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.435 ' O ' HG23 ' A' ' 69' ' ' VAL . 69.6 mmtt -99.19 122.04 41.85 Favored 'General case' 0 N--CA 1.423 -1.81 0 CA-C-N 114.736 -1.12 . . . . 1.65 113.11 -170.676 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.647 ' HB3' ' HB3' ' A' ' 34' ' ' ASP . 37.1 t -95.29 116.21 28.46 Favored 'General case' 0 N--CA 1.416 -2.161 0 N-CA-C 105.459 -2.052 . . . . 1.66 105.459 169.339 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.69 ' HA ' HD11 ' A' ' 36' ' ' LEU . 87.6 m-85 -35.0 -76.77 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.902 1.281 . . . . 0.61 113.718 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.495 HG22 ' HB ' ' A' ' 38' ' ' VAL . 0.2 OUTLIER -84.76 48.41 1.54 Allowed 'General case' 0 C--N 1.307 -1.266 0 N-CA-C 113.074 0.768 . . . . 1.08 113.074 179.3 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.647 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 6.8 t70 -149.35 -52.97 0.16 Allowed 'General case' 0 C--N 1.307 -1.279 0 CA-C-N 115.645 -0.707 . . . . 0.73 110.732 179.534 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -104.56 -54.89 2.44 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-N 115.832 -0.622 . . . . 1.46 109.707 -176.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.69 HD11 ' HA ' ' A' ' 32' ' ' PHE . 82.9 mt -62.68 -47.55 83.16 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.242 -0.89 . . . . 1.12 109.249 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.5 t70 75.4 86.95 0.09 Allowed 'General case' 0 CA--C 1.502 -0.866 0 C-N-CA 126.152 1.781 . . . . 1.14 109.824 -179.061 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.498 HG11 ' HB1' ' A' ' 19' ' ' ALA . 88.7 t -80.9 -86.87 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.305 -1.363 0 CA-C-N 114.175 -1.375 . . . . 2.39 108.24 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.5 t70 170.18 174.18 0.06 Allowed 'General case' 0 CA--C 1.485 -1.537 0 N-CA-C 103.024 -2.954 . . . . 0.79 103.024 178.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.578 ' HA ' H37A ' A' ' 101' ' ' SHW . 3.1 t -90.04 -31.95 16.95 Favored 'General case' 0 C--N 1.248 -3.837 0 N-CA-C 108.173 -1.047 . . . . 1.37 108.173 -173.8 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 83.8 mt -87.02 -45.39 10.8 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 115.279 -0.873 . . . . 1.58 109.781 -179.132 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.421 ' HB3' HG22 ' A' ' 18' ' ' ILE . 13.5 m -64.24 -22.16 66.85 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 115.802 -0.636 . . . . 1.26 110.26 -176.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.522 ' O ' HG22 ' A' ' 47' ' ' VAL . 21.7 tpp -55.12 -43.05 73.75 Favored 'General case' 0 N--CA 1.44 -0.942 0 CA-C-N 115.026 -0.988 . . . . 1.22 110.666 175.767 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.419 ' O ' HG21 ' A' ' 48' ' ' VAL . 47.5 t -70.15 -26.07 28.84 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.19 0 CA-C-N 115.973 -0.558 . . . . 1.25 110.875 -175.425 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -81.96 -23.88 35.84 Favored 'General case' 0 N--CA 1.427 -1.604 0 C-N-CA 119.583 -0.847 . . . . 2.08 110.707 177.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.415 HG22 ' O ' ' A' ' 42' ' ' SER . 87.7 t -65.63 -40.69 88.71 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 N-CA-C 107.714 -1.217 . . . . 1.21 107.714 173.559 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.779 HG23 HG22 ' A' ' 63' ' ' VAL . 21.7 t -58.85 -61.65 1.33 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 N-CA-C 108.134 -1.062 . . . . 1.1 108.134 175.272 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.419 HG21 ' O ' ' A' ' 44' ' ' VAL . 84.2 t -49.38 -48.71 18.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 CA-C-N 115.843 -0.617 . . . . 1.36 112.322 177.115 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.58 -23.81 65.44 Favored 'General case' 0 C--O 1.212 -0.909 0 O-C-N 121.841 -0.537 . . . . 1.13 112.439 -178.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.37 -35.42 77.69 Favored 'General case' 0 C--O 1.24 0.561 0 N-CA-C 109.068 -0.716 . . . . 1.14 109.068 176.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.557 ' HG2' ' H ' ' A' ' 58' ' ' ILE . 35.5 mt-10 -65.92 -50.62 63.76 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 107.971 -1.122 . . . . 1.36 107.971 176.046 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -55.1 -37.94 67.5 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 114.096 -1.411 . . . . 2.09 111.051 -179.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.1 tpt180 -83.54 -52.57 6.37 Favored 'General case' 0 N--CA 1.429 -1.482 0 CA-C-N 115.582 -0.735 . . . . 3.27 111.557 -173.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.538 ' CD2' HD13 ' A' ' 76' ' ' ILE . 48.9 m-85 -95.53 -4.47 44.72 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 114.116 1.154 . . . . 1.11 114.116 -170.223 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 36.5 t70 77.59 -7.34 1.85 Allowed 'General case' 0 N--CA 1.5 2.031 0 C-N-CA 124.388 1.075 . . . . 2.02 111.257 177.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.512 HG11 ' HB2' ' A' ' 54' ' ' PHE . 11.7 p -76.52 164.71 3.42 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.162 0 CA-C-N 114.893 -1.048 . . . . 1.87 109.929 -179.641 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.43 ' HD2' ' OE2' ' A' ' 51' ' ' GLU . 24.0 tptm -110.73 105.88 14.9 Favored 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 108.627 -0.879 . . . . 2.26 108.627 178.19 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.692 HD12 HG12 ' A' ' 76' ' ' ILE . 21.9 mt -126.25 96.58 36.3 Favored Pre-proline 0 C--N 1.299 -1.622 0 N-CA-C 106.759 -1.571 . . . . 1.23 106.759 178.346 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.585 ' HD2' ' HB2' ' A' ' 62' ' ' ASP . 81.4 Cg_endo -86.68 165.94 8.95 Favored 'Trans proline' 0 N--CA 1.436 -1.874 0 C-N-CA 121.666 1.577 . . . . 0.76 110.939 177.393 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.473 ' O ' HG12 ' A' ' 63' ' ' VAL . 4.1 p-10 -51.81 -22.42 3.65 Favored 'General case' 0 C--N 1.319 -0.737 0 C-N-CA 124.394 1.078 . . . . 2.0 113.118 178.096 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.457 ' HA ' ' HE3' ' A' ' 64' ' ' LYS . 14.1 t70 -74.17 -50.37 19.57 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.031 0.443 . . . . 2.09 110.561 176.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.585 ' HB2' ' HD2' ' A' ' 59' ' ' PRO . 3.2 m-20 -72.36 -25.61 61.59 Favored 'General case' 0 CA--C 1.493 -1.214 0 CA-C-N 116.1 -0.5 . . . . 1.58 111.121 -179.748 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.779 HG22 HG23 ' A' ' 47' ' ' VAL . 0.8 OUTLIER -65.48 -21.33 29.02 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.163 0 CA-C-N 115.936 -0.574 . . . . 1.39 111.05 179.04 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.492 ' HZ2' ' HB2' ' A' ' 64' ' ' LYS . 10.3 mtmp? -66.93 -1.81 4.49 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.111 0.564 . . . . 2.97 112.279 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -107.43 1.41 23.56 Favored 'General case' 0 CA--C 1.498 -1.021 0 N-CA-C 107.222 -1.399 . . . . 2.62 107.222 -178.094 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.549 HD12 ' HA ' ' A' ' 72' ' ' ALA . 38.9 mt -119.47 150.06 40.85 Favored 'General case' 0 N--CA 1.397 -3.124 0 N-CA-C 107.016 -1.476 . . . . 1.67 107.016 -175.499 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.521 ' HA ' ' H3 ' ' A' ' 101' ' ' SHW 0.281 0.0 OUTLIER -153.45 -34.42 0.11 Allowed 'General case' 0 C--N 1.278 -2.505 0 CA-C-N 115.124 -0.944 . . . . 3.58 112.215 176.138 . . . . . . . . 4 4 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.606 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 75.8 p -101.92 170.5 8.1 Favored 'General case' 0 C--N 1.308 -1.234 0 C-N-CA 117.44 -1.704 . . . . 1.09 110.548 173.573 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.806 HG22 ' HA ' ' A' ' 28' ' ' LEU . 6.9 m -62.77 -33.1 58.24 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.477 0 CA-C-N 114.8 -1.091 . . . . 1.15 109.201 172.278 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -67.06 -42.57 92.09 Favored Glycine 0 N--CA 1.434 -1.45 0 CA-C-N 114.882 -1.054 . . . . 0.36 111.517 178.04 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.469 ' OD2' ' HD2' ' A' ' 67' ' ' LYS . 15.0 m-20 -62.62 -47.77 82.31 Favored 'General case' 0 CA--C 1.486 -1.496 0 N-CA-C 109.737 -0.468 . . . . 1.79 109.737 177.776 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.549 ' HA ' HD12 ' A' ' 66' ' ' LEU . . . -54.03 -59.76 4.22 Favored 'General case' 0 N--CA 1.445 -0.683 0 O-C-N 124.313 1.008 . . . . 1.08 109.695 -179.756 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.601 HG22 ' HB ' ' A' ' 7' ' ' ILE . 85.8 m -49.1 -46.46 44.78 Favored 'General case' 0 C--O 1.202 -1.445 0 C-N-CA 123.729 0.811 . . . . 1.15 112.536 174.609 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -63.32 -31.81 73.06 Favored 'General case' 0 C--N 1.315 -0.923 0 C-N-CA 122.646 0.378 . . . . 3.35 111.071 -177.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.549 ' HB2' HD21 ' A' ' 66' ' ' LEU . 78.9 t80 -76.37 -44.13 37.69 Favored 'General case' 0 C--O 1.203 -1.385 0 N-CA-C 108.213 -1.032 . . . . 1.19 108.213 178.036 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.692 HG12 HD12 ' A' ' 58' ' ' ILE . 74.7 mt -62.3 -49.73 82.8 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.068 0 CA-C-N 115.705 -0.68 . . . . 1.07 109.959 -179.585 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 47.9 tp -49.96 -41.98 47.8 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 124.587 1.155 . . . . 1.76 111.017 179.356 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -89.34 -41.54 12.08 Favored 'General case' 0 C--N 1.296 -1.758 0 CA-C-N 115.392 -0.822 . . . . 0.67 112.78 -176.215 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -85.03 4.99 31.34 Favored 'General case' 0 C--N 1.308 -1.204 0 N-CA-C 113.138 0.792 . . . . 1.87 113.138 -174.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.435 ' NE2' HG21 ' A' ' 76' ' ' ILE . 82.9 mm-40 -35.16 131.47 0.42 Allowed 'General case' 0 N--CA 1.492 1.65 0 C-N-CA 124.193 0.997 . . . . 1.31 111.532 175.567 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.165 0 CA-C-O 119.026 -0.511 . . . . 2.36 110.738 -176.494 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' SHW . . . . . 0.578 H37A ' HA ' ' A' ' 40' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.462 ' HA ' ' HG3' ' A' ' 80' ' ' GLN . . . . . . . . 0 N--CA 1.451 -0.424 0 N-CA-C 109.737 -0.468 . . . . 2.5 109.737 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -120.07 -172.72 2.4 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 107.072 -1.455 . . . . 1.39 107.072 178.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.56 ' O ' HG13 ' A' ' 7' ' ' ILE . 4.5 m -90.65 123.42 34.26 Favored 'General case' 0 N--CA 1.415 -2.218 0 N-CA-C 107.757 -1.201 . . . . 1.6 107.757 -178.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.495 ' HA ' HD12 ' A' ' 7' ' ' ILE . 23.3 mt-30 -52.52 -36.39 55.31 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 124.279 1.031 . . . . 1.66 111.513 -174.324 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -62.75 -41.02 99.0 Favored 'General case' 0 C--N 1.302 -1.462 0 CA-C-N 114.919 -1.037 . . . . 2.3 110.221 179.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -75.38 -28.47 59.51 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.668 -0.696 . . . . 1.92 110.225 -179.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.56 HG13 ' O ' ' A' ' 3' ' ' THR . 31.5 mt -65.7 -56.47 14.91 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.098 0 N-CA-C 107.859 -1.163 . . . . 1.08 107.859 176.027 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.453 ' HA ' HD12 ' A' ' 11' ' ' LEU . 84.5 t -58.54 -33.26 47.85 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.945 0 CA-C-N 115.882 -0.599 . . . . 1.1 110.887 175.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.435 ' O ' ' HG2' ' A' ' 13' ' ' GLU . . . -66.53 -41.9 88.04 Favored 'General case' 0 C--O 1.221 -0.417 0 N-CA-C 110.122 -0.325 . . . . 1.08 110.122 177.356 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -62.41 -41.09 99.78 Favored Glycine 0 CA--C 1.507 -0.465 0 N-CA-C 110.919 -0.872 . . . . 0.31 110.919 176.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.453 HD12 ' HA ' ' A' ' 8' ' ' VAL . 88.3 mt -61.02 -43.31 99.08 Favored 'General case' 0 N--CA 1.434 -1.257 0 C-N-CA 122.894 0.478 . . . . 1.02 109.86 175.408 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.18 -41.71 89.1 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 123.55 0.74 . . . . 1.08 111.526 178.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.435 ' HG2' ' O ' ' A' ' 9' ' ' ALA . 10.1 mm-40 -54.18 -52.41 61.27 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-O 121.925 0.869 . . . . 1.46 109.777 176.213 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.69 -52.27 62.82 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.053 0 CA-C-N 113.154 -1.839 . . . . 1.16 110.605 -177.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.497 HG12 HD12 ' A' ' 36' ' ' LEU . 92.7 t -58.74 -41.95 83.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.332 -0.394 . . . . 1.1 110.928 178.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.507 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 5.4 t-20 -60.39 -43.25 96.84 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-O 121.023 0.44 . . . . 0.64 110.226 -179.621 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -70.45 -58.49 3.66 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-N 115.582 -0.736 . . . . 2.0 111.148 -179.372 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.606 HG21 ' HB2' ' A' ' 45' ' ' GLU . 80.2 mt -78.36 -53.29 14.24 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.915 0 N-CA-C 113.156 0.798 . . . . 1.1 113.156 -172.055 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.634 ' HB3' HG13 ' A' ' 38' ' ' VAL . . . -77.03 -31.72 56.48 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.103 0.478 . . . . 0.93 109.956 -177.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.7 11.62 63.61 Favored Glycine 0 C--O 1.227 -0.296 0 CA-C-N 115.438 -0.801 . . . . 0.46 111.609 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.507 ' O ' ' HA ' ' A' ' 16' ' ' ASN . 49.9 mm -95.19 131.38 30.1 Favored Pre-proline 0 C--N 1.309 -1.193 0 CA-C-O 119.525 -0.274 . . . . 1.2 110.432 -176.434 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.489 ' HD2' ' HA ' ' A' ' 21' ' ' ILE . 14.1 Cg_exo -32.34 127.13 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.157 1 C-N-CA 125.605 4.204 . . . . 0.47 114.801 174.088 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 93.4 t -51.21 -36.44 16.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 CA-C-N 114.594 -1.184 . . . . 1.4 108.935 176.177 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -92.4 0.11 57.41 Favored 'General case' 0 N--CA 1.417 -2.081 0 N-CA-C 114.22 1.193 . . . . 2.34 114.22 -174.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.685 ' O ' ' HE3' ' A' ' 30' ' ' LYS . 18.8 t70 -93.32 -15.05 26.19 Favored 'General case' 0 C--O 1.208 -1.125 0 N-CA-C 106.693 -1.595 . . . . 0.69 106.693 172.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.475 ' HA ' HD23 ' A' ' 36' ' ' LEU . 81.7 t -78.18 71.83 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.058 0 CA-C-N 114.364 -1.289 . . . . 1.17 108.91 179.695 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.753 ' O ' HG21 ' A' ' 69' ' ' VAL . 80.1 mttt -85.96 179.35 7.01 Favored 'General case' 0 CA--C 1.489 -1.401 0 N-CA-C 107.312 -1.366 . . . . 2.23 107.312 178.087 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.466 HD21 ' O ' ' A' ' 28' ' ' LEU . 5.9 tt -86.16 -5.32 59.22 Favored 'General case' 0 C--N 1.291 -1.953 0 CA-C-O 121.605 0.717 . . . . 1.7 112.841 -170.494 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -96.65 -4.52 40.83 Favored 'General case' 0 C--N 1.274 -2.71 0 CA-C-O 121.216 0.531 . . . . 2.11 110.031 179.122 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.685 ' HE3' ' O ' ' A' ' 25' ' ' ASP . 63.1 mmtt -75.03 122.61 23.79 Favored 'General case' 0 C--N 1.309 -1.17 0 N-CA-C 113.237 0.829 . . . . 1.65 113.237 -172.765 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.519 ' HA ' HG21 ' A' ' 68' ' ' THR . 1.0 OUTLIER -90.74 38.06 0.94 Allowed 'General case' 0 CA--C 1.554 1.103 0 CA-C-N 116.315 -0.402 . . . . 1.66 111.165 -179.767 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.733 ' HA ' HD13 ' A' ' 36' ' ' LEU . 62.6 m-85 50.73 -100.65 0.09 Allowed 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 114.214 1.19 . . . . 0.61 114.214 178.766 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.54 HG23 ' HB ' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -69.09 33.46 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.801 0 C-N-CA 125.804 1.642 . . . . 1.08 115.125 -178.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.401 ' H ' ' C ' ' A' ' 32' ' ' PHE . 27.4 t70 -143.32 -71.88 0.3 Allowed 'General case' 0 C--N 1.294 -1.83 0 CA-C-N 116.331 -0.395 . . . . 0.73 110.677 178.673 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -78.49 -40.48 35.26 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.942 0.401 . . . . 1.46 111.265 -176.124 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.733 HD13 ' HA ' ' A' ' 32' ' ' PHE . 95.3 mt -74.51 -52.7 11.17 Favored 'General case' 0 CA--C 1.507 -0.699 0 N-CA-C 108.349 -0.982 . . . . 1.12 108.349 176.022 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.2 t70 81.53 92.89 0.04 OUTLIER 'General case' 0 CA--C 1.499 -0.994 0 C-N-CA 126.556 1.942 . . . . 1.14 109.83 -178.076 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.634 HG13 ' HB3' ' A' ' 19' ' ' ALA . 89.2 t -92.91 -90.74 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.295 -1.8 0 CA-C-N 114.084 -1.416 . . . . 2.39 107.847 -177.057 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.7 t70 172.12 171.43 0.1 Allowed 'General case' 0 CA--C 1.481 -1.69 0 N-CA-C 103.413 -2.81 . . . . 0.79 103.413 177.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.472 ' HA ' H37A ' A' ' 101' ' ' SHW . 3.7 t -88.98 -31.82 17.94 Favored 'General case' 0 C--N 1.258 -3.371 0 N-CA-C 108.457 -0.942 . . . . 1.37 108.457 -173.309 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 91.8 mt -86.35 -33.33 20.59 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-O 121.451 0.643 . . . . 1.58 110.72 -178.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.423 ' HB3' HG23 ' A' ' 18' ' ' ILE . 7.4 m -74.46 -14.11 60.79 Favored 'General case' 0 N--CA 1.434 -1.236 0 CA-C-N 115.412 -0.813 . . . . 1.26 110.68 -176.391 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.556 ' HE3' ' HB3' ' A' ' 32' ' ' PHE . 28.9 tpp -64.48 -38.81 92.31 Favored 'General case' 0 N--CA 1.439 -0.976 0 CA-C-N 115.714 -0.675 . . . . 1.22 111.102 179.749 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.443 ' O ' HG22 ' A' ' 48' ' ' VAL . 38.7 t -72.5 -23.5 21.13 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.681 0 CA-C-N 116.064 -0.516 . . . . 1.25 110.138 -178.212 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.606 ' HB2' HG21 ' A' ' 18' ' ' ILE . 8.6 mm-40 -73.11 -35.52 66.57 Favored 'General case' 0 N--CA 1.438 -1.068 0 N-CA-C 108.05 -1.093 . . . . 2.08 108.05 179.61 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 66.6 t -60.2 -46.52 94.53 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.39 0 N-CA-C 108.283 -1.006 . . . . 1.21 108.283 175.16 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.509 HG11 HG23 ' A' ' 63' ' ' VAL . 92.4 t -53.12 -63.57 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 O-C-N 123.99 0.806 . . . . 1.1 109.601 175.638 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.443 HG22 ' O ' ' A' ' 44' ' ' VAL . 86.6 t -46.76 -52.13 4.17 Favored 'Isoleucine or valine' 0 C--O 1.251 1.155 0 O-C-N 124.063 0.852 . . . . 1.36 111.596 179.199 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.88 -39.45 94.23 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.271 -0.422 . . . . 1.13 111.939 -179.32 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.4 -43.4 98.91 Favored 'General case' 0 C--O 1.242 0.672 0 C-N-CA 122.334 0.254 . . . . 1.14 111.325 -179.058 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.578 ' HA ' ' O ' ' A' ' 56' ' ' VAL . 40.2 mt-10 -56.6 -36.2 69.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.772 0.796 . . . . 1.36 110.593 179.189 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -83.24 -48.75 10.14 Favored 'General case' 0 C--N 1.306 -1.302 0 CA-C-N 114.943 -1.026 . . . . 2.09 111.564 -179.264 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 -64.41 -38.0 89.48 Favored 'General case' 0 CA--C 1.504 -0.794 0 C-N-CA 123.316 0.647 . . . . 3.27 110.793 -171.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.508 ' CD2' HG23 ' A' ' 76' ' ' ILE . 51.4 m-85 -100.32 -7.41 24.54 Favored 'General case' 0 C--N 1.297 -1.712 0 CA-C-N 115.22 -0.9 . . . . 1.11 111.109 -176.028 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.423 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 11.8 m-20 63.84 14.67 8.5 Favored 'General case' 0 N--CA 1.494 1.77 0 C-N-CA 124.45 1.1 . . . . 2.02 112.787 -178.54 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.578 ' O ' ' HA ' ' A' ' 51' ' ' GLU . 5.7 p -108.78 123.26 64.45 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.564 0 N-CA-C 108.963 -0.754 . . . . 1.87 108.963 179.757 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -70.89 103.87 2.76 Favored 'General case' 0 C--N 1.299 -1.589 0 CA-C-N 115.425 -0.807 . . . . 2.26 109.995 -178.067 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.732 HG21 HG21 ' A' ' 63' ' ' VAL . 11.5 mt -125.22 86.75 56.51 Favored Pre-proline 0 C--N 1.299 -1.593 0 N-CA-C 107.061 -1.459 . . . . 1.23 107.061 176.711 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -71.52 162.83 41.0 Favored 'Trans proline' 0 N--CA 1.442 -1.502 0 C-N-CA 121.107 1.205 . . . . 0.76 110.15 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.532 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 5.4 p-10 -48.42 -31.47 6.29 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.113 0.565 . . . . 2.0 111.574 179.171 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.426 ' HA ' ' HE3' ' A' ' 64' ' ' LYS . 21.1 t70 -60.2 -51.4 69.73 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 123.337 0.655 . . . . 2.09 112.019 177.659 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -73.71 -30.83 63.08 Favored 'General case' 0 N--CA 1.493 1.687 0 CA-C-O 121.555 0.693 . . . . 1.58 110.194 179.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.732 HG21 HG21 ' A' ' 58' ' ' ILE . 5.4 t -59.44 -22.62 23.32 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.572 0 CA-C-N 114.437 -1.256 . . . . 1.39 111.545 177.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.532 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 10.2 mtmp? -70.91 -1.83 13.14 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 113.284 0.846 . . . . 2.97 113.284 179.161 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -107.72 -11.7 15.37 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 106.694 -1.595 . . . . 2.62 106.694 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.548 ' HA ' ' OD1' ' A' ' 71' ' ' ASP . 52.7 mt -97.36 146.6 25.01 Favored 'General case' 0 N--CA 1.428 -1.527 0 N-CA-C 105.998 -1.853 . . . . 1.67 105.998 179.06 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.428 ' HE2' ' OD2' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -149.26 -9.3 0.33 Allowed 'General case' 0 C--N 1.282 -2.364 0 N-CA-C 113.798 1.036 . . . . 3.58 113.798 -178.2 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.519 HG21 ' HA ' ' A' ' 31' ' ' SER . 26.8 p -137.69 172.93 12.22 Favored 'General case' 0 N--CA 1.423 -1.787 0 N-CA-C 109.402 -0.592 . . . . 1.09 109.402 176.387 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.753 HG21 ' O ' ' A' ' 27' ' ' LYS . 3.3 m -60.64 -48.8 87.11 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.746 0 CA-C-N 115.023 -0.99 . . . . 1.15 109.852 173.585 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.469 ' H ' HG22 ' A' ' 69' ' ' VAL . . . -64.26 -32.82 85.47 Favored Glycine 0 N--CA 1.436 -1.366 0 CA-C-N 115.86 -0.609 . . . . 0.36 112.481 177.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.548 ' OD1' ' HA ' ' A' ' 66' ' ' LEU . 6.4 t70 -69.94 -43.46 71.58 Favored 'General case' 0 CA--C 1.508 -0.661 0 N-CA-C 108.807 -0.812 . . . . 1.79 108.807 -179.521 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.463 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -57.29 -53.0 63.07 Favored 'General case' 0 CA--C 1.514 -0.408 0 N-CA-C 108.62 -0.881 . . . . 1.08 108.62 176.106 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.478 ' HA ' HG21 ' A' ' 7' ' ' ILE . 85.7 m -48.86 -48.08 42.32 Favored 'General case' 0 C--O 1.188 -2.138 0 C-N-CA 123.843 0.857 . . . . 1.15 111.737 172.452 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 28.3 tptp -58.51 -26.87 63.93 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 123.252 0.621 . . . . 3.35 111.458 -179.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.456 ' HB2' HD21 ' A' ' 66' ' ' LEU . 44.9 t80 -83.96 -51.27 7.27 Favored 'General case' 0 C--N 1.314 -0.969 0 N-CA-C 108.552 -0.907 . . . . 1.19 108.552 177.26 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.508 HG23 ' CD2' ' A' ' 54' ' ' PHE . 82.0 mt -60.5 -51.74 69.56 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.536 0 C-N-CA 124.308 1.043 . . . . 1.07 111.242 -178.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.435 ' HA ' HE21 ' A' ' 80' ' ' GLN . 59.0 tp -50.83 -41.19 57.4 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.31 1.044 . . . . 1.76 111.352 179.329 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -77.87 -46.14 22.21 Favored 'General case' 0 C--N 1.307 -1.264 0 CA-C-N 114.879 -1.055 . . . . 0.67 110.322 -175.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -72.0 -58.93 3.02 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-N 114.702 -1.135 . . . . 1.87 113.587 -177.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.462 ' HG3' ' HA ' ' A' ' 1' ' ' ALA . 84.2 mm-40 39.83 95.74 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 125.485 1.514 . . . . 1.31 114.778 -174.276 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.423 ' HA ' ' O ' ' A' ' 55' ' ' ASP . . . . . . . . 0 C--O 1.249 1.037 0 C-N-CA 124.319 1.047 . . . . 2.36 111.599 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' SHW . . . . . 0.472 H37A ' HA ' ' A' ' 40' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.471 0 N-CA-C 108.008 -1.108 . . . . 2.5 108.008 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -149.82 139.79 21.96 Favored 'General case' 0 CA--C 1.474 -1.967 0 C-N-CA 118.946 -1.102 . . . . 1.39 109.306 -177.123 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.4 m -62.75 133.88 55.44 Favored 'General case' 0 N--CA 1.422 -1.838 0 N-CA-C 105.913 -1.884 . . . . 1.6 105.913 175.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.589 ' HA ' HD11 ' A' ' 7' ' ' ILE . 52.7 mt-30 -50.61 -30.9 14.47 Favored 'General case' 0 C--N 1.312 -1.023 0 N-CA-C 114.341 1.237 . . . . 1.66 114.341 -173.321 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -61.76 -39.18 90.72 Favored 'General case' 0 C--N 1.315 -0.904 0 C-N-CA 122.769 0.428 . . . . 2.3 110.347 175.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -74.41 -26.56 60.16 Favored 'General case' 0 C--N 1.315 -0.92 0 C-N-CA 123.839 0.855 . . . . 1.92 108.794 -178.3 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.614 HG21 ' HA ' ' A' ' 73' ' ' THR . 29.9 mt -71.81 -57.91 6.31 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.246 0 N-CA-C 107.678 -1.23 . . . . 1.08 107.678 177.461 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.9 t -54.88 -48.19 74.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.622 -0.717 . . . . 1.1 110.616 177.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.15 -32.59 74.36 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.556 -0.293 . . . . 1.08 111.318 179.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.52 -44.06 97.18 Favored Glycine 0 CA--C 1.495 -1.184 0 N-CA-C 109.629 -1.389 . . . . 0.31 109.629 175.443 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.453 ' O ' HG22 ' A' ' 15' ' ' VAL . 96.9 mt -60.13 -49.69 76.65 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 109.237 -0.653 . . . . 1.02 109.237 175.598 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.36 -45.37 72.75 Favored 'General case' 0 C--N 1.317 -0.819 0 C-N-CA 124.216 1.006 . . . . 1.08 112.721 -178.165 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -69.64 -21.72 63.53 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 112.83 0.678 . . . . 1.46 112.83 -179.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 96.4 mt -86.0 -42.87 16.2 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.284 0 CA-C-O 121.464 0.65 . . . . 1.16 109.305 176.072 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.453 HG22 ' O ' ' A' ' 11' ' ' LEU . 78.4 t -61.41 -43.26 96.4 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.993 0 CA-C-N 115.845 -0.616 . . . . 1.1 110.905 179.23 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -63.72 -29.38 70.6 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-O 121.498 0.666 . . . . 0.64 110.133 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -79.14 -53.49 6.94 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 114.938 -1.028 . . . . 2.0 110.975 -179.05 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.639 HG23 ' HB3' ' A' ' 42' ' ' SER . 92.0 mt -87.37 -53.07 10.72 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.706 0 N-CA-C 112.734 0.642 . . . . 1.1 112.734 -175.034 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.561 ' HB1' HG12 ' A' ' 38' ' ' VAL . . . -75.34 -37.94 60.43 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.996 0.427 . . . . 0.93 110.678 -177.069 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.38 3.35 61.46 Favored Glycine 0 N--CA 1.447 -0.617 0 CA-C-N 115.228 -0.896 . . . . 0.46 111.013 -178.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.443 ' HA ' ' HD2' ' A' ' 22' ' ' PRO . 48.4 mm -88.09 130.44 46.24 Favored Pre-proline 0 C--N 1.31 -1.111 0 N-CA-C 109.674 -0.491 . . . . 1.2 109.674 -178.133 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.443 ' HD2' ' HA ' ' A' ' 21' ' ' ILE . 7.6 Cg_exo -34.3 132.78 0.16 Allowed 'Trans proline' 0 C--N 1.354 0.862 1 C-N-CA 125.399 4.066 . . . . 0.47 115.276 175.66 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 97.1 t -55.06 -33.18 28.81 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.416 0 CA-C-N 114.146 -1.388 . . . . 1.4 107.757 174.274 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.451 ' O ' ' HE3' ' A' ' 27' ' ' LYS . 11.3 pt-20 -87.2 -9.04 56.18 Favored 'General case' 0 C--N 1.297 -1.685 0 CA-C-N 114.045 -1.434 . . . . 2.34 113.806 -175.562 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.527 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 24.5 t70 -89.65 -18.5 26.37 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 107.519 -1.289 . . . . 0.69 107.519 178.581 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.696 HG13 HG11 ' A' ' 69' ' ' VAL . 53.0 t -81.2 81.14 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.432 -1.348 0 CA-C-N 113.475 -1.693 . . . . 1.17 108.271 178.17 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.451 ' HE3' ' O ' ' A' ' 24' ' ' GLU . 34.0 mmtp -92.09 -122.63 0.08 Allowed 'General case' 0 C--N 1.297 -1.702 0 CA-C-N 113.525 -1.67 . . . . 2.23 109.744 178.385 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.594 ' HA ' HG23 ' A' ' 69' ' ' VAL . 5.7 tt -134.89 -23.33 1.56 Allowed 'General case' 0 C--N 1.314 -0.951 0 C-N-CA 118.431 -1.307 . . . . 1.7 111.846 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -90.84 -3.53 57.3 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-O 122.507 1.146 . . . . 2.11 109.126 -179.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.66 ' O ' HG21 ' A' ' 69' ' ' VAL . 41.1 mmtm -82.57 120.82 26.01 Favored 'General case' 0 C--N 1.298 -1.637 0 CA-C-N 114.461 -1.245 . . . . 1.65 112.085 -172.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.716 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 7.3 m -85.05 120.02 26.09 Favored 'General case' 0 N--CA 1.398 -3.069 0 N-CA-C 107.569 -1.271 . . . . 1.66 107.569 175.704 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.759 ' HA ' HD13 ' A' ' 36' ' ' LEU . 68.9 m-85 -32.81 -91.74 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 114.554 1.316 . . . . 0.61 114.554 174.072 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.698 HG22 ' HB ' ' A' ' 38' ' ' VAL . 0.7 OUTLIER -81.68 60.65 4.72 Favored 'General case' 0 C--N 1.284 -2.247 0 N-CA-C 113.575 0.954 . . . . 1.08 113.575 177.394 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.64 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 23.0 t70 -169.14 -49.15 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.496 0 CA-C-O 120.993 0.425 . . . . 0.73 110.394 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -95.36 -51.77 4.44 Favored 'General case' 0 N--CA 1.482 1.157 0 N-CA-C 109.179 -0.674 . . . . 1.46 109.179 175.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.759 HD13 ' HA ' ' A' ' 32' ' ' PHE . 80.6 mt -72.34 -51.72 19.36 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.328 -0.851 . . . . 1.12 110.118 -177.82 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.3 t70 80.51 95.79 0.05 Allowed 'General case' 0 CA--C 1.504 -0.813 0 C-N-CA 126.254 1.822 . . . . 1.14 109.467 -176.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.698 ' HB ' HG22 ' A' ' 33' ' ' THR . 93.9 t -98.42 -90.88 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.298 -1.65 0 CA-C-N 114.577 -1.192 . . . . 2.39 110.141 -173.415 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.538 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 18.3 t70 174.22 -175.01 0.07 Allowed 'General case' 0 C--N 1.298 -1.663 0 N-CA-C 105.67 -1.974 . . . . 0.79 105.67 -177.596 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.504 ' H ' ' CG ' ' A' ' 39' ' ' ASP . 4.7 t -94.65 -49.69 5.51 Favored 'General case' 0 C--N 1.272 -2.793 0 N-CA-C 107.557 -1.275 . . . . 1.37 107.557 -174.137 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 80.9 mt -86.42 -34.2 20.22 Favored 'General case' 0 C--N 1.292 -1.906 0 CA-C-N 113.722 -1.581 . . . . 1.58 109.972 -173.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.639 ' HB3' HG23 ' A' ' 18' ' ' ILE . 22.1 m -67.7 -25.3 65.61 Favored 'General case' 0 N--CA 1.438 -1.042 0 CA-C-N 115.316 -0.857 . . . . 1.26 109.587 179.211 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.583 ' HE2' ' HB3' ' A' ' 32' ' ' PHE . 26.9 tpp -59.94 -47.05 87.38 Favored 'General case' 0 N--CA 1.44 -0.955 0 CA-C-N 115.604 -0.726 . . . . 1.22 110.571 177.692 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 41.5 t -71.11 -26.98 28.21 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-N 115.706 -0.679 . . . . 1.25 110.4 -177.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.504 ' HB2' HG21 ' A' ' 18' ' ' ILE . 54.6 mm-40 -71.29 -39.12 71.69 Favored 'General case' 0 N--CA 1.431 -1.395 0 N-CA-C 109.501 -0.555 . . . . 2.08 109.501 178.078 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.482 HG21 ' O ' ' A' ' 42' ' ' SER . 77.7 t -55.43 -51.47 56.69 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.016 0 N-CA-C 108.785 -0.82 . . . . 1.21 108.785 175.261 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.551 HG21 ' H7 ' ' A' ' 101' ' ' SHW . 64.5 t -57.52 -64.47 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.621 0 O-C-N 123.635 0.585 . . . . 1.1 111.159 179.784 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 93.7 t -52.58 -50.56 39.81 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.855 0 N-CA-C 112.401 0.519 . . . . 1.36 112.401 -179.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.76 -26.32 66.06 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 117.875 0.307 . . . . 1.13 111.705 -178.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . 0.415 ' O ' ' HD1' ' A' ' 54' ' ' PHE . . . -65.39 -35.86 82.23 Favored 'General case' 0 C--O 1.204 -1.316 0 N-CA-C 108.741 -0.837 . . . . 1.14 108.741 178.038 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . 0.253 48.0 mm-40 -58.04 -27.09 63.27 Favored 'General case' 0 N--CA 1.404 -2.731 0 N-CA-C 116.942 2.201 . . . . 1.36 116.942 175.403 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -82.85 -19.76 36.92 Favored 'General case' 0 C--N 1.306 -1.313 0 CA-C-O 122.085 0.945 . . . . 2.09 109.084 176.205 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 -88.61 -52.61 5.06 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-N 115.271 -0.877 . . . . 3.27 110.438 -178.304 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.581 ' HE2' ' HA ' ' A' ' 7' ' ' ILE . 75.6 m-85 -91.34 -38.41 12.64 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 123.952 0.901 . . . . 1.11 112.801 -172.392 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.2 t70 71.65 26.78 3.05 Favored 'General case' 0 N--CA 1.499 1.99 0 C-N-CA 123.674 0.79 . . . . 2.02 111.694 174.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.403 HG22 HG23 ' A' ' 76' ' ' ILE . 19.8 m -104.65 3.15 10.53 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.024 0 N-CA-C 114.11 1.152 . . . . 1.87 114.11 -171.691 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . 0.259 14.2 mmmm 54.78 86.92 0.05 OUTLIER 'General case' 0 C--N 1.294 -1.813 0 C-N-CA 126.765 2.026 . . . . 2.26 113.572 -177.189 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.821 HG23 HG21 ' A' ' 63' ' ' VAL . 8.4 mt -114.81 101.26 54.37 Favored Pre-proline 0 C--N 1.296 -1.722 0 N-CA-C 106.828 -1.545 . . . . 1.23 106.828 178.796 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.47 ' HD2' ' HB2' ' A' ' 62' ' ' ASP . 56.6 Cg_endo -84.9 156.7 11.61 Favored 'Trans proline' 0 N--CA 1.442 -1.52 0 C-N-CA 121.305 1.337 . . . . 0.76 110.305 175.305 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.644 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 3.8 p30 -43.44 -37.63 2.45 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.442 0.697 . . . . 2.0 112.805 176.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -63.13 -44.15 96.4 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 112.523 0.564 . . . . 2.09 112.523 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.47 ' HB2' ' HD2' ' A' ' 59' ' ' PRO . 0.9 OUTLIER -72.5 -32.48 66.2 Favored 'General case' 0 CA--C 1.49 -1.364 0 CA-C-O 121.61 0.719 . . . . 1.58 109.775 179.052 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.821 HG21 HG23 ' A' ' 58' ' ' ILE . 2.9 t -60.2 -25.56 33.88 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.81 0 CA-C-N 114.248 -1.342 . . . . 1.39 111.432 174.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.644 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 95.1 mttt -76.79 -0.05 22.42 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-O 121.36 0.6 . . . . 2.97 111.878 178.466 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 47.7 m-80 -116.1 10.71 15.08 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 106.972 -1.492 . . . . 2.62 106.972 -179.126 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.633 HD11 ' HA ' ' A' ' 72' ' ' ALA . 53.4 mt -120.33 158.96 25.99 Favored 'General case' 0 N--CA 1.402 -2.874 0 N-CA-C 103.853 -2.647 . . . . 1.67 103.853 175.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.516 ' HD2' ' OD2' ' A' ' 71' ' ' ASP 0.338 0.0 OUTLIER -154.61 -22.55 0.12 Allowed 'General case' 0 C--N 1.285 -2.222 0 N-CA-C 113.93 1.085 . . . . 3.58 113.93 176.757 . . . . . . . . 4 4 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.716 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 77.4 p -113.15 176.28 5.09 Favored 'General case' 0 N--CA 1.432 -1.345 0 C-N-CA 119.22 -0.992 . . . . 1.09 110.974 172.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.696 HG11 HG13 ' A' ' 26' ' ' VAL . 2.4 m -67.87 -27.63 38.49 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.133 0 CA-C-N 114.537 -1.211 . . . . 1.15 109.723 170.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -70.41 -43.1 63.13 Favored Glycine 0 N--CA 1.429 -1.809 0 CA-C-N 115.111 -0.95 . . . . 0.36 110.913 176.079 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.516 ' OD2' ' HD2' ' A' ' 67' ' ' LYS . 18.1 m-20 -61.17 -46.71 89.4 Favored 'General case' 0 CA--C 1.493 -1.231 0 C-N-CA 122.367 0.267 . . . . 1.79 111.131 178.575 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.633 ' HA ' HD11 ' A' ' 66' ' ' LEU . . . -54.38 -59.48 4.62 Favored 'General case' 0 C--O 1.222 -0.393 0 N-CA-C 109.173 -0.677 . . . . 1.08 109.173 178.016 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.614 ' HA ' HG21 ' A' ' 7' ' ' ILE . 90.0 m -48.86 -48.55 41.88 Favored 'General case' 0 C--O 1.207 -1.14 0 C-N-CA 124.122 0.969 . . . . 1.15 113.15 173.69 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -58.57 -37.27 75.39 Favored 'General case' 0 C--N 1.314 -0.958 0 C-N-CA 123.154 0.581 . . . . 3.35 111.187 -179.223 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.543 ' HB2' HD23 ' A' ' 66' ' ' LEU . 89.9 t80 -74.9 -44.08 50.76 Favored 'General case' 0 N--CA 1.44 -0.927 0 N-CA-C 108.855 -0.795 . . . . 1.19 108.855 179.435 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.463 HG22 ' CD2' ' A' ' 54' ' ' PHE . 88.7 mt -63.75 -46.1 95.45 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.626 0 CA-C-N 115.212 -0.904 . . . . 1.07 110.648 -179.677 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.477 ' HA ' HE21 ' A' ' 80' ' ' GLN . 17.9 tp -61.96 -29.37 70.19 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-O 121.617 0.722 . . . . 1.76 110.818 178.668 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -79.79 -43.07 23.15 Favored 'General case' 0 C--N 1.293 -1.883 0 CA-C-N 115.363 -0.835 . . . . 0.67 110.173 -178.268 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.402 ' HB3' ' HB ' ' A' ' 56' ' ' VAL . 0.1 OUTLIER -71.65 -52.18 19.3 Favored 'General case' 0 C--N 1.297 -1.708 0 CA-C-N 114.537 -1.21 . . . . 1.87 111.849 179.503 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.477 HE21 ' HA ' ' A' ' 77' ' ' LEU . 63.1 mm-40 30.6 112.01 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 118.769 2.877 . . . . 1.31 118.769 179.396 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.407 -2.577 0 N-CA-C 106.74 -1.578 . . . . 2.36 106.74 176.087 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' SHW . . . . . 0.631 ' H38' ' HB ' ' A' ' 33' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.469 ' HA ' ' HG3' ' A' ' 80' ' ' GLN . . . . . . . . 0 N--CA 1.447 -0.624 0 N-CA-C 109.075 -0.713 . . . . 2.5 109.075 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -127.11 167.22 16.28 Favored 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 106.365 -1.717 . . . . 1.39 106.365 178.321 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.538 ' O ' HG13 ' A' ' 7' ' ' ILE . 63.6 p -74.73 128.68 36.15 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 107.939 -1.134 . . . . 1.6 107.939 179.794 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.409 ' HA ' HD11 ' A' ' 7' ' ' ILE . 25.6 mt-30 -51.65 -31.82 27.07 Favored 'General case' 0 N--CA 1.483 1.208 0 N-CA-C 112.31 0.485 . . . . 1.66 112.31 -174.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 19.9 mp0 -70.71 -37.34 73.55 Favored 'General case' 0 C--N 1.308 -1.222 0 CA-C-N 115.572 -0.74 . . . . 2.3 109.542 -176.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -70.39 -33.64 71.64 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 121.541 0.686 . . . . 1.92 109.402 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.538 HG13 ' O ' ' A' ' 3' ' ' THR . 29.3 mt -66.47 -55.9 16.57 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.131 0 CA-C-N 114.629 -1.168 . . . . 1.08 108.1 177.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.475 HG22 HD12 ' A' ' 28' ' ' LEU . 53.4 t -55.65 -39.46 55.03 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.712 0 CA-C-N 115.859 -0.609 . . . . 1.1 111.4 177.096 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.86 -37.97 86.5 Favored 'General case' 0 C--O 1.242 0.69 0 C-N-CA 122.824 0.45 . . . . 1.08 110.889 177.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.32 -43.78 87.21 Favored Glycine 0 CA--C 1.496 -1.112 0 N-CA-C 110.533 -1.027 . . . . 0.31 110.533 177.047 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.464 ' O ' HG22 ' A' ' 15' ' ' VAL . 96.4 mt -59.42 -50.46 73.88 Favored 'General case' 0 C--N 1.314 -0.939 0 N-CA-C 109.637 -0.505 . . . . 1.02 109.637 177.159 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.422 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -53.7 -43.7 69.18 Favored 'General case' 0 C--N 1.316 -0.888 0 C-N-CA 124.733 1.213 . . . . 1.08 112.476 -178.581 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -67.31 -42.96 82.82 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 119.732 -0.787 . . . . 1.46 112.099 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 93.9 mt -60.93 -49.23 85.52 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.98 0 CA-C-O 121.374 0.607 . . . . 1.16 109.666 176.293 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.464 HG22 ' O ' ' A' ' 11' ' ' LEU . 91.1 t -58.9 -46.61 91.2 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.387 0 CA-C-N 115.427 -0.806 . . . . 1.1 110.268 178.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -64.79 -31.98 73.46 Favored 'General case' 0 C--N 1.297 -1.692 0 O-C-N 122.002 -0.436 . . . . 0.64 111.67 -179.315 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -72.16 -51.63 20.4 Favored 'General case' 0 C--N 1.304 -1.375 0 CA-C-N 115.822 -0.626 . . . . 2.0 111.067 179.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.637 HG23 ' HB2' ' A' ' 45' ' ' GLU . 75.9 mt -88.9 -54.22 8.16 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 CA-C-O 121.45 0.643 . . . . 1.1 111.913 -174.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.598 ' HB1' HG21 ' A' ' 38' ' ' VAL . . . -76.59 -40.32 49.88 Favored 'General case' 0 C--N 1.307 -1.266 0 CA-C-N 115.496 -0.775 . . . . 0.93 109.775 -176.783 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.78 21.42 39.88 Favored Glycine 0 C--O 1.214 -1.116 0 CA-C-N 115.613 -0.722 . . . . 0.46 111.432 -179.241 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . 0.512 HG22 HD23 ' A' ' 36' ' ' LEU . 48.8 mm -96.06 130.95 29.88 Favored Pre-proline 0 C--N 1.307 -1.253 0 N-CA-C 109.212 -0.662 . . . . 1.2 109.212 -178.412 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.493 ' HD2' ' HA ' ' A' ' 21' ' ' ILE . 12.9 Cg_exo -31.39 125.51 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 1 C-N-CA 125.866 4.377 . . . . 0.47 114.926 174.939 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.422 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 89.2 t -59.55 -32.69 49.6 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-N 113.943 -1.481 . . . . 1.4 108.788 179.112 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -89.74 -14.38 34.76 Favored 'General case' 0 N--CA 1.425 -1.691 0 N-CA-C 113.378 0.881 . . . . 2.34 113.378 -177.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.43 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 10.3 t70 -86.39 -19.09 30.23 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-O 122.271 1.034 . . . . 0.69 108.474 -179.016 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.706 HG13 HG11 ' A' ' 69' ' ' VAL . 32.3 t -72.5 86.09 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.915 0 CA-C-N 113.905 -1.498 . . . . 1.17 108.322 172.227 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -96.02 -122.11 0.11 Allowed 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 113.846 -1.524 . . . . 2.23 109.322 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.641 ' HA ' HG23 ' A' ' 69' ' ' VAL . 8.2 mp -129.11 -31.22 2.13 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 113.459 0.911 . . . . 1.7 113.459 176.652 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -82.49 -6.95 59.62 Favored 'General case' 0 N--CA 1.484 1.274 0 CA-C-O 122.795 1.283 . . . . 2.11 109.378 -177.293 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.623 ' O ' HG21 ' A' ' 69' ' ' VAL . 39.5 mmtm -78.05 105.16 9.08 Favored 'General case' 0 C--N 1.295 -1.783 0 CA-C-N 113.902 -1.499 . . . . 1.65 112.42 -174.569 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.567 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 17.7 m -72.15 115.67 11.65 Favored 'General case' 0 N--CA 1.398 -3.037 0 N-CA-C 107.372 -1.344 . . . . 1.66 107.372 170.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.763 ' HA ' HD12 ' A' ' 36' ' ' LEU . 96.6 m-85 -35.18 -84.5 0.0 OUTLIER 'General case' 0 C--N 1.312 -1.061 0 N-CA-C 114.149 1.166 . . . . 0.61 114.149 176.537 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.533 HG21 ' HE3' ' A' ' 43' ' ' MET . 0.0 OUTLIER -83.34 45.54 1.05 Allowed 'General case' 0 C--N 1.295 -1.801 0 N-CA-C 113.831 1.049 . . . . 1.08 113.831 -179.824 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.567 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 7.1 t70 -153.99 -63.65 0.14 Allowed 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.926 -0.579 . . . . 0.73 110.491 179.208 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.517 ' OD2' ' HD3' ' A' ' 30' ' ' LYS . 6.8 t70 -88.83 -43.95 10.85 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.331 -0.618 . . . . 1.46 109.331 -174.765 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.763 HD12 ' HA ' ' A' ' 32' ' ' PHE . 96.1 mt -71.06 -54.39 11.34 Favored 'General case' 0 CA--C 1.511 -0.529 0 N-CA-C 106.555 -1.646 . . . . 1.12 106.555 172.707 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.8 t70 72.93 86.07 0.11 Allowed 'General case' 0 CA--C 1.509 -0.607 0 CA-C-N 113.956 -1.474 . . . . 1.14 112.16 173.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.598 HG21 ' HB1' ' A' ' 19' ' ' ALA . 3.2 p -112.3 -89.95 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.433 -1.324 0 N-CA-C 113.818 1.044 . . . . 2.39 113.818 176.695 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.594 ' H ' HG11 ' A' ' 38' ' ' VAL . 10.7 t70 -159.34 172.75 17.41 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 108.786 -0.82 . . . . 0.79 108.786 -174.267 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.413 ' H ' ' CG ' ' A' ' 39' ' ' ASP . 27.4 t -84.39 -53.82 5.19 Favored 'General case' 0 C--N 1.28 -2.442 0 C-N-CA 125.177 1.391 . . . . 1.37 111.037 -172.239 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 48.9 mt -73.65 -28.12 61.61 Favored 'General case' 0 CA--C 1.492 -1.273 0 C-N-CA 120.425 -0.51 . . . . 1.58 109.843 -173.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.554 ' O ' HG23 ' A' ' 46' ' ' VAL . 17.1 m -68.9 -28.17 66.44 Favored 'General case' 0 N--CA 1.424 -1.745 0 CA-C-N 115.015 -0.993 . . . . 1.26 108.969 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.533 ' HE3' HG21 ' A' ' 33' ' ' THR . 23.9 tpp -71.01 -40.64 71.67 Favored 'General case' 0 N--CA 1.429 -1.508 0 CA-C-N 115.661 -0.699 . . . . 1.22 110.473 -177.526 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.412 ' O ' HG21 ' A' ' 48' ' ' VAL . 45.0 t -68.31 -37.1 77.46 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.981 0 N-CA-C 109.074 -0.713 . . . . 1.25 109.074 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.637 ' HB2' HG23 ' A' ' 18' ' ' ILE . 70.3 mm-40 -64.7 -36.55 84.65 Favored 'General case' 0 N--CA 1.44 -0.948 0 CA-C-N 116.265 -0.425 . . . . 2.08 110.178 177.563 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 42' ' ' SER . 75.6 t -60.6 -48.49 88.37 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.623 0 N-CA-C 109.201 -0.666 . . . . 1.21 109.201 176.413 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.482 HG22 ' O ' ' A' ' 43' ' ' MET . 63.3 t -50.45 -63.46 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 O-C-N 123.935 0.772 . . . . 1.1 109.315 176.475 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.412 HG21 ' O ' ' A' ' 44' ' ' VAL . 57.3 t -47.77 -54.04 4.11 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.049 0 CA-C-N 115.216 -0.902 . . . . 1.36 111.569 178.133 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.92 -35.45 80.72 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.628 0.603 . . . . 1.13 112.628 -177.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.04 -39.84 93.72 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.817 0.342 . . . . 1.14 110.627 179.451 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.617 ' HG2' ' H ' ' A' ' 58' ' ' ILE . 40.8 mt-10 -61.38 -36.5 80.44 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 122.025 0.917 . . . . 1.36 110.425 178.752 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -77.75 -38.32 47.24 Favored 'General case' 0 C--N 1.305 -1.365 0 CA-C-N 114.665 -1.152 . . . . 2.09 110.651 -178.562 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 32.4 tpt180 -80.79 -38.27 28.75 Favored 'General case' 0 C--N 1.312 -1.039 0 N-CA-C 112.428 0.529 . . . . 3.27 112.428 -173.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.498 ' CD2' HG21 ' A' ' 76' ' ' ILE . 33.1 m-85 -98.85 -7.25 27.64 Favored 'General case' 0 C--N 1.307 -1.267 0 N-CA-C 112.343 0.498 . . . . 1.11 112.343 -175.206 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 67.5 15.63 9.85 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 123.911 0.884 . . . . 2.02 112.32 -178.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.563 ' O ' ' HA ' ' A' ' 51' ' ' GLU . 6.9 p -118.87 120.69 64.83 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.428 0 N-CA-C 109.088 -0.708 . . . . 1.87 109.088 179.098 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.441 ' HZ2' ' HB3' ' A' ' 57' ' ' LYS . 3.5 mmmp? -74.21 97.92 3.07 Favored 'General case' 0 C--N 1.291 -1.947 0 CA-C-N 115.008 -0.996 . . . . 2.26 110.488 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.617 ' H ' ' HG2' ' A' ' 51' ' ' GLU . 17.7 mt -98.26 98.51 5.8 Favored Pre-proline 0 C--N 1.296 -1.754 0 N-CA-C 105.831 -1.914 . . . . 1.23 105.831 173.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -68.0 141.16 52.29 Favored 'Trans proline' 0 N--CA 1.444 -1.407 0 C-N-CA 121.618 1.545 . . . . 0.76 112.942 -173.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.505 ' O ' HG11 ' A' ' 63' ' ' VAL . 1.1 m-20 -41.13 -35.33 0.56 Allowed 'General case' 0 C--O 1.211 -0.97 0 C-N-CA 126.754 2.022 . . . . 2.0 112.824 176.771 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -75.11 -42.75 55.79 Favored 'General case' 0 C--N 1.307 -1.266 0 N-CA-C 111.978 0.362 . . . . 2.09 111.978 179.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -87.03 -22.69 25.32 Favored 'General case' 0 CA--C 1.508 -0.639 0 CA-C-O 121.224 0.535 . . . . 1.58 110.677 -174.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.854 HG23 ' H4 ' ' A' ' 101' ' ' SHW . 4.0 p -63.58 -23.23 32.8 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.024 0 CA-C-N 115.423 -0.808 . . . . 1.39 109.907 -179.79 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.432 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 90.0 mttt -72.1 -6.26 41.22 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 115.431 -0.804 . . . . 2.97 111.322 -179.121 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 49.1 m-80 -88.59 -22.36 23.55 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.526 -0.546 . . . . 2.62 109.526 176.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.82 HD13 ' HA ' ' A' ' 72' ' ' ALA . 60.2 mt -68.2 -68.33 0.4 Allowed 'General case' 0 C--O 1.239 0.546 0 O-C-N 123.322 0.389 . . . . 1.67 110.355 -175.217 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 29.0 mmtp 75.59 -44.92 0.53 Allowed 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.339 1.056 . . . . 3.58 113.491 177.172 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.423 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 29.8 p -111.97 156.94 21.32 Favored 'General case' 0 N--CA 1.392 -3.359 0 CA-C-O 121.587 0.708 . . . . 1.09 112.316 -175.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.706 HG11 HG13 ' A' ' 26' ' ' VAL . 2.9 m -62.37 -27.86 43.5 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.861 0 CA-C-N 114.174 -1.376 . . . . 1.15 111.568 175.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -77.81 -38.54 27.04 Favored Glycine 0 N--CA 1.434 -1.437 0 C-N-CA 120.862 -0.685 . . . . 0.36 111.855 177.621 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.468 ' OD1' ' HA ' ' A' ' 66' ' ' LEU . 8.4 t70 -76.99 -30.19 55.82 Favored 'General case' 0 CA--C 1.512 -0.505 0 N-CA-C 109.529 -0.545 . . . . 1.79 109.529 -177.661 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.82 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -56.82 -56.49 20.87 Favored 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 107.997 -1.112 . . . . 1.08 107.997 173.405 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.51 ' HA ' HG22 ' A' ' 7' ' ' ILE . 86.5 m -48.39 -53.99 15.64 Favored 'General case' 0 C--O 1.176 -2.768 0 CA-C-N 115.173 -0.921 . . . . 1.15 111.228 169.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 58.5 tptt -48.85 -35.15 13.96 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.637 0.775 . . . . 3.35 112.206 178.341 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -72.75 -55.51 6.64 Favored 'General case' 0 C--O 1.212 -0.889 0 N-CA-C 108.112 -1.07 . . . . 1.19 108.112 178.572 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.521 HG23 ' NE2' ' A' ' 80' ' ' GLN . 68.0 mt -59.94 -50.15 81.23 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.65 0 C-N-CA 124.69 1.196 . . . . 1.07 111.131 -178.002 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 58.3 tp -48.45 -36.65 15.37 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.4 1.48 . . . . 1.76 110.894 178.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -88.31 -52.44 5.21 Favored 'General case' 0 C--N 1.3 -1.557 0 CA-C-N 115.134 -0.939 . . . . 0.67 111.025 -179.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 28.9 m-70 -78.8 5.92 10.24 Favored 'General case' 0 C--N 1.306 -1.295 0 C-N-CA 125.689 1.596 . . . . 1.87 114.298 -173.037 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLN . . . . . 0.521 ' NE2' HG23 ' A' ' 76' ' ' ILE . 77.8 mm-40 -31.98 112.06 0.1 Allowed 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 115.599 1.703 . . . . 1.31 115.599 -179.618 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.198 0 C-N-CA 126.628 1.971 . . . . 2.36 114.554 173.124 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' SHW . . . . . 0.854 ' H4 ' HG23 ' A' ' 63' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.642 ' O ' HG13 ' A' ' 7' ' ' ILE . 0.5 OUTLIER . . . . . 0 N--CA 1.419 -1.98 0 N-CA-C 107.556 -1.275 . . . . 1.05 107.556 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -52.85 -41.1 63.95 Favored 'General case' 0 N--CA 1.489 1.518 0 CA-C-O 121.596 0.713 . . . . 1.25 111.545 -173.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -72.01 -27.83 62.99 Favored 'General case' 0 C--N 1.296 -1.728 0 CA-C-N 114.872 -1.058 . . . . 2.3 110.399 -176.239 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.514 ' HB3' ' O ' ' A' ' 3' ' ' THR . 40.9 tt0 -75.03 -36.03 61.91 Favored 'General case' 0 C--N 1.305 -1.359 0 N-CA-C 108.201 -1.037 . . . . 1.92 108.201 177.605 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.642 HG13 ' O ' ' A' ' 3' ' ' THR . 29.8 mt -64.07 -56.48 16.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 107.73 -1.211 . . . . 0.29 107.73 176.129 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.608 ' HA ' HD12 ' A' ' 11' ' ' LEU . 93.7 t -53.75 -40.85 45.12 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.993 0 CA-C-N 115.481 -0.781 . . . . 0.32 110.795 176.485 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.93 -32.01 72.97 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.958 0.409 . . . . 0.32 111.194 177.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.38 -37.45 90.4 Favored Glycine 0 C--O 1.215 -1.078 0 N-CA-C 110.451 -1.06 . . . . 0.31 110.451 176.394 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.608 HD12 ' HA ' ' A' ' 8' ' ' VAL . 63.8 mt -65.87 -50.38 64.72 Favored 'General case' 0 C--N 1.31 -1.137 0 N-CA-C 108.278 -1.008 . . . . 0.29 108.278 175.426 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.481 ' HA ' HG21 ' A' ' 26' ' ' VAL . . . -51.93 -45.94 64.5 Favored 'General case' 0 C--N 1.318 -0.786 0 C-N-CA 125.108 1.363 . . . . 0.24 113.091 -178.247 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -66.34 -26.2 67.18 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 113.065 0.765 . . . . 1.46 113.065 -177.105 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.485 HD11 ' HG2' ' A' ' 53' ' ' ARG . 85.7 mt -85.78 -42.47 16.05 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.754 0 N-CA-C 108.84 -0.8 . . . . 0.41 108.84 179.205 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.406 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 78.3 t -62.07 -40.62 88.09 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.996 0 CA-C-N 115.466 -0.788 . . . . 0.29 110.937 178.78 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.524 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 62.4 t30 -61.51 -33.33 73.62 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 121.02 0.438 . . . . 0.64 110.542 179.492 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -79.84 -61.99 1.82 Allowed 'General case' 0 C--N 1.305 -1.33 0 CA-C-N 115.099 -0.955 . . . . 2.0 110.795 -177.755 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.556 HG21 ' HB2' ' A' ' 45' ' ' GLU . 87.6 mt -76.98 -52.73 16.22 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.043 0 CA-C-N 115.304 -0.862 . . . . 0.28 112.922 -172.771 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.576 ' HB2' HG13 ' A' ' 38' ' ' VAL . . . -74.05 -42.11 60.73 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-O 121.529 0.68 . . . . 0.34 109.334 -179.441 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 92.27 28.18 13.83 Favored Glycine 0 N--CA 1.436 -1.345 0 CA-C-N 114.828 -1.078 . . . . 0.46 110.747 -177.57 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.524 ' O ' ' HA ' ' A' ' 16' ' ' ASN . 49.5 mm -111.69 131.24 22.47 Favored Pre-proline 0 C--N 1.311 -1.066 0 N-CA-C 108.316 -0.994 . . . . 0.42 108.316 -179.175 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.465 ' HD2' ' HA ' ' A' ' 21' ' ' ILE . 4.5 Cg_exo -33.11 129.72 0.12 Allowed 'Trans proline' 0 C--N 1.356 0.967 1 C-N-CA 125.601 4.201 . . . . 0.41 115.486 176.874 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 66.3 t -56.19 -39.05 57.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 N-CA-C 107.174 -1.417 . . . . 0.69 107.174 176.176 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.524 ' O ' ' HE3' ' A' ' 27' ' ' LYS . 29.6 mm-40 -78.17 -19.95 52.92 Favored 'General case' 0 N--CA 1.412 -2.367 0 CA-C-N 113.118 -1.855 . . . . 2.34 113.224 -173.733 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.406 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 25.1 t0 -91.4 -0.52 57.65 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-O 122.652 1.215 . . . . 0.69 109.445 -179.641 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.633 HG13 HG11 ' A' ' 69' ' ' VAL . 41.3 t -80.75 80.64 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.42 -1.935 0 CA-C-O 123.156 1.455 . . . . 0.4 107.493 172.716 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.524 ' HE3' ' O ' ' A' ' 24' ' ' GLU . 26.1 mmtp -81.56 -146.01 0.06 Allowed 'General case' 0 C--N 1.308 -1.199 0 CA-C-N 111.806 -2.452 . . . . 1.67 107.942 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.459 ' HA ' HG23 ' A' ' 69' ' ' VAL . 4.9 tt -122.2 -17.35 7.19 Favored 'General case' 0 C--N 1.304 -1.376 0 C-N-CA 119.275 -0.97 . . . . 1.08 111.523 -179.529 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -87.64 -11.77 47.47 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-O 122.288 1.042 . . . . 2.11 109.625 176.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.671 ' O ' HG22 ' A' ' 69' ' ' VAL . 70.8 mmtt -70.21 114.14 8.06 Favored 'General case' 0 C--N 1.3 -1.568 0 CA-C-N 114.582 -1.19 . . . . 1.02 113.465 -172.194 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.642 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 5.2 p -81.51 109.62 16.14 Favored 'General case' 0 N--CA 1.392 -3.358 0 N-CA-C 107.606 -1.257 . . . . 1.16 107.606 171.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.678 ' HA ' HD12 ' A' ' 36' ' ' LEU . 64.9 m-85 -29.81 -86.57 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.314 0 N-CA-C 114.154 1.168 . . . . 0.36 114.154 176.64 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.498 HG23 ' HB ' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -76.63 40.78 0.24 Allowed 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 114.326 1.232 . . . . 0.47 114.326 178.295 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -150.43 -68.22 0.19 Allowed 'General case' 0 C--N 1.316 -0.882 0 O-C-N 121.764 -0.585 . . . . 0.73 112.461 179.242 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -80.32 -44.1 20.09 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 108.917 -0.771 . . . . 1.46 108.917 -178.773 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.678 HD12 ' HA ' ' A' ' 32' ' ' PHE . 95.8 mt -72.07 -46.85 55.3 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 108.638 -0.875 . . . . 0.58 108.638 177.416 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.5 t70 74.35 85.67 0.1 Allowed 'General case' 0 CA--C 1.516 -0.358 0 C-N-CA 125.414 1.486 . . . . 1.14 110.924 178.285 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.576 HG13 ' HB2' ' A' ' 19' ' ' ALA . 89.1 t -87.72 -90.03 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.305 -1.345 0 CA-C-N 113.97 -1.468 . . . . 1.79 109.997 -176.877 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.484 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 16.5 t70 170.91 167.64 0.07 Allowed 'General case' 0 CA--C 1.49 -1.346 0 N-CA-C 103.121 -2.918 . . . . 0.79 103.121 -177.783 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 31.5 t -87.69 -39.78 14.7 Favored 'General case' 0 C--N 1.253 -3.608 0 CA-C-O 121.941 0.877 . . . . 1.23 108.683 -173.381 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 28.1 mt -87.03 -30.94 20.82 Favored 'General case' 0 C--N 1.297 -1.695 0 CA-C-N 114.963 -1.017 . . . . 1.02 109.953 -173.474 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.495 ' HB3' HG22 ' A' ' 18' ' ' ILE . 31.5 m -72.1 -24.62 61.52 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-O 121.426 0.631 . . . . 1.02 109.537 177.282 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.545 ' HE3' ' HB3' ' A' ' 32' ' ' PHE . 32.5 tpp -59.0 -44.18 91.61 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 115.557 -0.747 . . . . 0.55 111.225 179.302 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 39.6 t -66.01 -23.54 32.3 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 CA-C-N 115.612 -0.722 . . . . 0.56 111.218 -176.625 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.556 ' HB2' HG21 ' A' ' 18' ' ' ILE . 37.8 mt-10 -74.95 -35.44 62.14 Favored 'General case' 0 N--CA 1.439 -1.0 0 N-CA-C 109.195 -0.668 . . . . 2.08 109.195 178.322 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 62.6 t -63.12 -47.27 93.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 108.245 -1.021 . . . . 0.52 108.245 177.03 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.599 HG21 HG11 ' A' ' 63' ' ' VAL . 31.9 t -58.36 -57.77 9.45 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.335 -0.848 . . . . 0.38 110.735 179.022 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.547 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 2.1 p -56.0 -41.11 66.86 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 CA-C-O 121.571 0.7 . . . . 0.58 111.626 -177.858 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.39 -35.18 73.32 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 115.503 -0.771 . . . . 0.42 111.167 178.417 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.2 -34.12 73.18 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 122.88 0.472 . . . . 0.38 111.279 -179.032 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.573 ' HG2' ' H ' ' A' ' 58' ' ' ILE . 39.2 mt-10 -56.26 -42.62 77.71 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.433 0.635 . . . . 1.36 110.653 179.381 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -83.35 -35.88 24.82 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-N 116.022 -0.535 . . . . 2.09 111.398 178.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.485 ' HG2' HD11 ' A' ' 14' ' ' ILE . 6.8 tpm_? -67.1 -37.43 83.92 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.788 -0.642 . . . . 2.75 111.378 -174.054 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.503 ' CD2' HG21 ' A' ' 76' ' ' ILE . 69.3 m-85 -101.73 -11.85 18.81 Favored 'General case' 0 C--N 1.291 -1.97 0 CA-C-N 115.382 -0.826 . . . . 0.73 111.47 -176.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 59.82 70.41 0.64 Allowed 'General case' 0 CA--C 1.505 -0.771 0 CA-C-O 121.774 0.797 . . . . 2.02 110.019 -173.374 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.439 HG12 ' HB2' ' A' ' 54' ' ' PHE . 14.9 p -160.48 178.74 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.296 -1.748 0 N-CA-C 106.066 -1.827 . . . . 1.61 106.066 -177.132 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.42 ' HD2' ' HA ' ' A' ' 57' ' ' LYS . 45.6 tptt -129.93 99.35 5.07 Favored 'General case' 0 C--N 1.292 -1.925 0 CA-C-N 119.22 0.918 . . . . 1.67 108.761 179.036 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.573 ' H ' ' HG2' ' A' ' 51' ' ' GLU . 19.8 mt -112.5 104.53 55.99 Favored Pre-proline 0 C--N 1.313 -0.995 0 N-CA-C 107.76 -1.2 . . . . 0.49 107.76 -179.158 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -78.41 144.47 20.35 Favored 'Trans proline' 0 N--CA 1.44 -1.676 0 C-N-CA 121.702 1.602 . . . . 0.62 112.005 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.523 ' HA ' ' CG1' ' A' ' 63' ' ' VAL . 7.0 t70 -53.1 -29.73 32.29 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.614 0.766 . . . . 2.0 111.705 176.666 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -50.98 -59.03 4.59 Favored 'General case' 0 C--N 1.308 -1.221 0 CA-C-N 115.246 -0.888 . . . . 2.09 111.468 176.319 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -87.52 -23.03 24.53 Favored 'General case' 0 C--N 1.316 -0.891 0 N-CA-C 112.742 0.645 . . . . 1.58 112.742 -176.732 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.599 HG11 HG21 ' A' ' 47' ' ' VAL . 2.0 p -57.72 -23.19 19.82 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 CA-C-O 121.228 0.537 . . . . 0.69 111.607 -176.148 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.515 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 58.7 mttm -66.33 -12.97 59.72 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 115.655 -0.702 . . . . 2.44 111.431 -178.3 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -96.86 -5.86 37.24 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.199 -0.455 . . . . 1.94 110.954 -179.016 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.693 HD13 ' HA ' ' A' ' 72' ' ' ALA . 87.2 mt -75.17 -52.1 11.78 Favored 'General case' 0 C--O 1.214 -0.814 0 C-N-CA 120.726 -0.39 . . . . 1.67 110.373 -179.437 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . 0.446 0.1 OUTLIER 59.02 -28.57 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 117.865 2.542 . . . . 3.18 117.865 176.13 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.642 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 75.4 p -125.78 171.11 10.93 Favored 'General case' 0 C--N 1.297 -1.701 0 O-C-N 121.513 -0.742 . . . . 0.51 110.813 176.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.671 HG22 ' O ' ' A' ' 30' ' ' LYS . 3.3 m -69.03 -40.79 81.24 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.71 0 CA-C-N 114.597 -1.183 . . . . 0.35 110.136 173.09 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -66.42 -41.0 94.63 Favored Glycine 0 N--CA 1.44 -1.088 0 CA-C-N 115.997 -0.547 . . . . 0.3 112.438 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.432 ' HB2' ' O ' ' A' ' 66' ' ' LEU . 33.1 m-20 -78.44 -26.05 46.14 Favored 'General case' 0 C--N 1.309 -1.166 0 C-N-CA 120.242 -0.583 . . . . 1.79 111.64 179.761 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.693 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -62.53 -53.14 59.16 Favored 'General case' 0 CA--C 1.515 -0.381 0 N-CA-C 108.154 -1.054 . . . . 0.29 108.154 172.505 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.417 ' HA ' HG21 ' A' ' 7' ' ' ILE . 88.2 m -48.71 -45.43 39.34 Favored 'General case' 0 C--O 1.192 -1.942 0 CA-C-N 115.021 -0.991 . . . . 0.31 111.489 172.323 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -52.03 -39.43 59.53 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 118.248 0.476 . . . . 2.93 112.06 177.667 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.475 ' HB2' HD21 ' A' ' 66' ' ' LEU . 49.5 t80 -72.15 -52.63 15.72 Favored 'General case' 0 C--O 1.195 -1.802 0 N-CA-C 107.974 -1.121 . . . . 0.53 107.974 -178.068 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.528 HG12 HD11 ' A' ' 58' ' ' ILE . 58.7 mt -62.31 -51.02 77.42 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.683 0 C-N-CA 124.102 0.961 . . . . 0.27 110.866 -177.148 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 61.0 tp -54.7 -35.24 63.4 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 122.963 0.505 . . . . 1.15 111.308 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -89.32 -32.38 17.37 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-O 121.603 0.716 . . . . 0.67 111.631 -178.1 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 25.1 m-70 -93.63 5.24 52.28 Favored 'General case' 0 C--N 1.314 -0.943 0 C-N-CA 124.209 1.003 . . . . 1.53 113.125 -176.025 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -41.69 134.4 2.49 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 124.35 1.06 . . . . 0.89 111.337 175.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.526 0 N-CA-C 109.506 -0.553 . . . . 2.36 109.506 -178.734 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.506 ' O ' HG13 ' A' ' 7' ' ' ILE . 1.3 p . . . . . 0 N--CA 1.414 -2.24 0 N-CA-C 107.397 -1.334 . . . . 1.05 107.397 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.512 ' HA ' HD12 ' A' ' 7' ' ' ILE . 75.1 mt-30 -54.46 -29.35 49.49 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-O 121.854 0.835 . . . . 1.25 110.354 -177.599 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.417 ' CD ' ' H ' ' A' ' 5' ' ' GLU . 2.3 mp0 -65.14 -41.09 95.1 Favored 'General case' 0 C--N 1.305 -1.354 0 CA-C-N 114.223 -1.353 . . . . 2.3 109.817 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -71.6 -30.89 66.32 Favored 'General case' 0 C--O 1.216 -0.683 0 N-CA-C 108.934 -0.765 . . . . 1.92 108.934 -178.362 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.544 ' HB ' HG23 ' A' ' 73' ' ' THR . 31.2 mt -68.6 -57.48 8.8 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.639 0 N-CA-C 108.236 -1.024 . . . . 0.29 108.236 178.643 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.734 HG21 HD11 ' A' ' 28' ' ' LEU . 54.4 t -56.56 -42.35 75.66 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.028 0 CA-C-N 116.085 -0.507 . . . . 0.32 111.363 176.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.64 -34.03 76.96 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 120.879 0.371 . . . . 0.32 110.578 177.668 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.78 -42.67 92.95 Favored Glycine 0 CA--C 1.492 -1.368 0 N-CA-C 110.054 -1.218 . . . . 0.31 110.054 176.666 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.554 ' O ' HG23 ' A' ' 15' ' ' VAL . 96.2 mt -60.29 -49.33 78.01 Favored 'General case' 0 C--N 1.309 -1.173 0 N-CA-C 109.226 -0.657 . . . . 0.29 109.226 174.68 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.445 ' HA ' HG21 ' A' ' 26' ' ' VAL . . . -52.42 -48.42 65.76 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 124.042 0.937 . . . . 0.24 111.975 -179.608 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -62.5 -39.0 92.11 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.842 0.354 . . . . 1.46 111.85 -178.291 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.596 HG22 HG23 ' A' ' 46' ' ' VAL . 95.2 mt -65.39 -50.67 71.45 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.17 0 CA-C-N 115.546 -0.752 . . . . 0.41 109.534 177.069 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 11' ' ' LEU . 86.7 t -55.91 -49.82 72.76 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.883 0 CA-C-N 116.032 -0.531 . . . . 0.29 110.148 179.283 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.499 ' HB2' ' HB ' ' A' ' 23' ' ' VAL . 2.9 t-20 -61.11 -31.23 70.93 Favored 'General case' 0 C--N 1.304 -1.403 0 CA-C-O 121.339 0.59 . . . . 0.64 110.892 -177.825 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -83.5 -42.91 16.34 Favored 'General case' 0 CA--C 1.557 1.249 0 CA-C-N 115.56 -0.746 . . . . 2.0 112.442 -177.677 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.425 HG21 ' HB2' ' A' ' 45' ' ' GLU . 91.1 mt -94.35 -53.33 8.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 CA-C-O 121.3 0.571 . . . . 0.28 111.43 -177.809 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.566 ' HA ' HG21 ' A' ' 38' ' ' VAL . . . -75.06 -34.22 61.79 Favored 'General case' 0 C--N 1.306 -1.303 0 CA-C-O 121.357 0.599 . . . . 0.34 110.257 -176.651 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.74 8.81 83.95 Favored Glycine 0 N--CA 1.448 -0.501 0 N-CA-C 111.139 -0.784 . . . . 0.46 111.139 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.506 HG21 ' HB3' ' A' ' 36' ' ' LEU . 48.3 mm -85.86 138.78 35.1 Favored Pre-proline 0 C--N 1.306 -1.315 0 N-CA-C 108.176 -1.046 . . . . 0.42 108.176 -179.235 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.43 ' HB2' ' HB2' ' A' ' 25' ' ' ASP . 7.6 Cg_exo -33.07 119.78 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.104 0 C-N-CA 125.173 3.915 . . . . 0.41 114.083 174.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.499 ' HB ' ' HB2' ' A' ' 16' ' ' ASN . 12.4 p -68.47 -13.41 17.07 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-O 123.074 1.416 . . . . 0.69 109.802 -178.505 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -97.76 -18.04 19.03 Favored 'General case' 0 C--N 1.28 -2.445 0 CA-C-N 113.163 -1.835 . . . . 2.34 110.932 -177.084 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.618 ' O ' ' HE3' ' A' ' 30' ' ' LYS . 13.9 t70 -90.9 -2.93 57.68 Favored 'General case' 0 C--O 1.214 -0.794 0 CA-C-O 122.193 0.997 . . . . 0.69 108.917 -176.317 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.445 HG21 ' HA ' ' A' ' 12' ' ' ALA . 99.5 t -77.75 73.37 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.5 0 CA-C-O 122.671 1.224 . . . . 0.4 109.122 178.246 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.783 ' O ' HG21 ' A' ' 69' ' ' VAL . 81.2 mttt -91.57 -175.48 4.21 Favored 'General case' 0 C--O 1.199 -1.565 0 N-CA-C 105.998 -1.853 . . . . 1.67 105.998 176.252 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.734 HD11 HG21 ' A' ' 8' ' ' VAL . 10.5 mp -90.25 1.78 56.13 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 115.269 1.581 . . . . 1.08 115.269 -175.625 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -102.35 7.29 40.55 Favored 'General case' 0 C--N 1.298 -1.655 0 CA-C-O 122.897 1.332 . . . . 2.11 108.809 179.385 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.618 ' HE3' ' O ' ' A' ' 25' ' ' ASP . 70.2 mmtt -85.93 114.31 22.74 Favored 'General case' 0 C--N 1.308 -1.222 0 CA-C-N 114.408 -1.269 . . . . 1.02 113.087 -175.499 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.3 m -91.26 27.48 1.9 Allowed 'General case' 0 C--N 1.303 -1.441 0 C-N-CA 123.504 0.722 . . . . 1.16 112.212 178.656 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.633 ' HA ' HD12 ' A' ' 36' ' ' LEU . 71.7 m-85 57.53 -109.75 0.5 Allowed 'General case' 0 N--CA 1.462 0.138 0 N-CA-C 113.989 1.107 . . . . 0.36 113.989 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -74.71 68.38 1.68 Allowed 'General case' 0 C--N 1.315 -0.921 0 CA-C-O 121.91 0.862 . . . . 0.47 111.686 179.178 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -172.91 -59.37 0.02 OUTLIER 'General case' 0 C--N 1.311 -1.108 0 CA-C-N 114.088 -1.415 . . . . 0.73 107.778 -177.477 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -93.54 -50.6 5.34 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.261 -0.882 . . . . 1.46 109.103 -178.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.633 HD12 ' HA ' ' A' ' 32' ' ' PHE . 87.2 mt -71.05 -53.23 15.42 Favored 'General case' 0 C--O 1.219 -0.55 0 N-CA-C 108.31 -0.996 . . . . 0.58 108.31 177.848 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.5 t70 67.99 95.9 0.06 Allowed 'General case' 0 CA--C 1.505 -0.753 0 CA-C-N 114.71 -1.132 . . . . 1.14 112.165 175.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.661 HG13 ' H ' ' A' ' 39' ' ' ASP . 2.8 p -119.48 -88.3 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.413 -2.278 0 CA-C-N 115.233 -0.894 . . . . 1.79 113.178 179.251 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.661 ' H ' HG13 ' A' ' 38' ' ' VAL . 9.0 t70 -166.46 -174.69 2.93 Favored 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 105.931 -1.878 . . . . 0.79 105.931 -172.129 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 41.3 t -93.79 -38.0 11.49 Favored 'General case' 0 C--N 1.277 -2.551 0 C-N-CA 123.575 0.75 . . . . 1.23 109.233 -177.358 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 76.6 mt -73.53 -37.34 65.66 Favored 'General case' 0 C--N 1.307 -1.271 0 CA-C-N 115.184 -0.916 . . . . 1.02 110.171 -173.33 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.2 m -74.2 -15.32 61.01 Favored 'General case' 0 N--CA 1.433 -1.317 0 CA-C-N 114.881 -1.054 . . . . 1.02 110.367 -179.444 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.568 ' O ' HG12 ' A' ' 46' ' ' VAL . 31.1 tpp -81.05 -44.55 17.87 Favored 'General case' 0 N--CA 1.427 -1.589 0 CA-C-N 115.766 -0.652 . . . . 0.55 109.529 179.295 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 58.3 t -63.65 -41.11 91.5 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.336 0 N-CA-C 109.186 -0.672 . . . . 0.56 109.186 179.531 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.425 ' HB2' HG21 ' A' ' 18' ' ' ILE . 42.8 mt-10 -73.8 -29.88 62.42 Favored 'General case' 0 N--CA 1.425 -1.687 0 C-N-CA 120.437 -0.505 . . . . 2.08 112.054 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.596 HG23 HG22 ' A' ' 14' ' ' ILE . 4.7 p -68.65 -36.37 74.17 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 N-CA-C 109.329 -0.619 . . . . 0.52 109.329 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 43' ' ' MET . 86.8 t -62.0 -63.17 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-N 114.645 -1.162 . . . . 0.38 108.557 173.885 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 90.4 t -49.04 -46.7 17.23 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.205 0 CA-C-N 115.831 -0.622 . . . . 0.58 112.521 177.442 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.89 -33.96 77.03 Favored 'General case' 0 C--N 1.315 -0.925 0 O-C-N 121.892 -0.505 . . . . 0.42 112.021 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.85 -38.54 91.22 Favored 'General case' 0 C--O 1.244 0.774 0 N-CA-C 109.609 -0.515 . . . . 0.38 109.609 178.027 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.67 ' HG2' ' H ' ' A' ' 58' ' ' ILE . 34.6 mt-10 -59.16 -47.43 85.32 Favored 'General case' 0 C--O 1.202 -1.417 0 CA-C-N 115.37 -0.832 . . . . 1.36 109.356 178.304 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -75.45 -28.23 59.22 Favored 'General case' 0 C--N 1.301 -1.538 0 CA-C-N 114.839 -1.073 . . . . 2.09 111.683 -175.119 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.5 tpm_? -74.53 -43.09 57.46 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.722 0.772 . . . . 2.75 109.815 -178.502 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.501 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 43.3 m-85 -101.28 -2.61 30.68 Favored 'General case' 0 C--N 1.305 -1.357 0 CA-C-N 115.303 -0.862 . . . . 0.73 111.55 -175.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.6 t70 70.84 -0.22 3.09 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 125.727 1.611 . . . . 2.02 111.584 178.322 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.59 ' O ' ' HA ' ' A' ' 51' ' ' GLU . 3.2 p -100.61 115.26 41.72 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-N 115.68 -0.691 . . . . 1.61 110.062 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.425 ' O ' ' HD3' ' A' ' 59' ' ' PRO . 31.2 mmmt -64.05 102.13 0.46 Allowed 'General case' 0 C--N 1.3 -1.544 0 CA-C-N 115.354 -0.839 . . . . 1.67 111.56 178.773 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.67 ' H ' ' HG2' ' A' ' 51' ' ' GLU . 50.7 mt -99.25 100.71 10.84 Favored Pre-proline 0 C--N 1.296 -1.72 0 N-CA-C 106.394 -1.706 . . . . 0.49 106.394 175.811 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.545 ' HD2' ' HB2' ' A' ' 62' ' ' ASP . 14.8 Cg_exo -66.74 147.51 81.35 Favored 'Trans proline' 0 N--CA 1.439 -1.705 0 C-N-CA 121.696 1.597 . . . . 0.62 111.766 -176.686 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.479 ' O ' HG12 ' A' ' 63' ' ' VAL . 3.7 p30 -58.92 -21.11 57.29 Favored 'General case' 0 C--O 1.213 -0.844 0 C-N-CA 123.444 0.698 . . . . 2.0 110.627 175.191 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.426 ' HA ' ' HE3' ' A' ' 64' ' ' LYS . 17.6 t70 -83.36 -35.22 25.31 Favored 'General case' 0 C--N 1.313 -0.979 0 C-N-CA 120.672 -0.411 . . . . 2.09 111.36 178.118 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.545 ' HB2' ' HD2' ' A' ' 59' ' ' PRO . 4.7 m-20 -78.44 -31.86 48.27 Favored 'General case' 0 CA--C 1.48 -1.723 0 O-C-N 122.12 -0.363 . . . . 1.58 111.3 177.016 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.513 HG21 HG22 ' A' ' 47' ' ' VAL . 2.5 p -59.83 -22.52 24.12 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.147 0 CA-C-O 121.605 0.717 . . . . 0.69 110.925 -178.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.426 ' HE3' ' HA ' ' A' ' 61' ' ' ASP . 94.1 mttt -61.84 -33.52 74.31 Favored 'General case' 0 N--CA 1.439 -0.98 0 CA-C-N 114.466 -1.243 . . . . 2.44 112.18 179.161 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 9.7 p-10 -88.54 -9.72 51.35 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 119.286 -0.966 . . . . 1.94 110.193 -178.219 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.858 HD13 ' HA ' ' A' ' 72' ' ' ALA . 51.0 mt -80.31 -61.96 1.82 Allowed 'General case' 0 N--CA 1.437 -1.108 0 N-CA-C 107.795 -1.187 . . . . 1.67 107.795 178.65 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.663 ' HA ' ' HE2' ' A' ' 67' ' ' LYS . 0.0 OUTLIER 69.14 -35.36 0.3 Allowed 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.184 1.393 . . . . 3.18 114.303 178.275 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 36.9 p -114.21 169.79 8.76 Favored 'General case' 0 C--N 1.301 -1.536 0 CA-C-O 121.583 0.706 . . . . 0.51 112.578 -178.103 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.783 HG21 ' O ' ' A' ' 27' ' ' LYS . 3.4 m -61.93 -44.66 99.2 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.111 0 CA-C-N 113.895 -1.502 . . . . 0.35 109.438 171.59 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.462 ' N ' HG23 ' A' ' 69' ' ' VAL . . . -61.5 -49.35 77.9 Favored Glycine 0 N--CA 1.434 -1.497 0 CA-C-N 115.144 -0.935 . . . . 0.3 112.188 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.426 ' HB3' ' HA ' ' A' ' 66' ' ' LEU . 0.9 OUTLIER -69.36 -29.26 67.01 Favored 'General case' 0 CA--C 1.509 -0.627 0 CA-C-N 117.396 0.598 . . . . 1.79 111.967 178.434 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.858 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -60.94 -59.29 5.61 Favored 'General case' 0 C--O 1.222 -0.363 0 N-CA-C 108.463 -0.94 . . . . 0.29 108.463 174.529 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.544 HG23 ' HB ' ' A' ' 7' ' ' ILE . 76.7 m -48.31 -48.35 36.06 Favored 'General case' 0 C--O 1.189 -2.103 0 C-N-CA 123.938 0.895 . . . . 0.31 111.835 173.411 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.404 ' HB3' ' HA ' ' A' ' 71' ' ' ASP . 84.5 tttt -51.83 -42.74 62.79 Favored 'General case' 0 C--N 1.307 -1.257 0 C-N-CA 125.424 1.489 . . . . 2.93 111.319 177.118 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 57.8 t80 -70.08 -47.43 61.96 Favored 'General case' 0 C--O 1.212 -0.872 0 N-CA-C 108.854 -0.795 . . . . 0.53 108.854 179.005 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.534 HG12 HD11 ' A' ' 58' ' ' ILE . 67.7 mt -63.66 -45.83 96.39 Favored 'Isoleucine or valine' 0 C--O 1.194 -1.838 0 CA-C-N 114.983 -1.008 . . . . 0.27 110.532 -178.161 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 48.4 tp -57.36 -32.27 66.58 Favored 'General case' 0 C--N 1.313 -1.004 0 C-N-CA 123.826 0.85 . . . . 1.15 110.633 179.516 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -88.23 -36.21 16.88 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 121.687 0.756 . . . . 0.67 111.447 179.113 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.456 ' HB3' HG21 ' A' ' 56' ' ' VAL . 15.9 m-70 -92.46 5.35 51.1 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 114.033 1.123 . . . . 1.53 114.033 -175.199 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -33.49 130.69 0.25 Allowed 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 125.976 1.711 . . . . 0.89 114.716 178.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.482 0 N-CA-C 107.873 -1.158 . . . . 2.36 107.873 179.187 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.455 ' O ' HG13 ' A' ' 7' ' ' ILE . 19.1 p . . . . . 0 N--CA 1.426 -1.643 0 N-CA-C 108.188 -1.042 . . . . 1.05 108.188 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.401 ' HA ' HD12 ' A' ' 7' ' ' ILE . 52.5 mt-30 -43.51 -37.67 2.55 Favored 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 114.144 1.164 . . . . 1.25 114.144 -176.68 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -69.03 -31.0 69.47 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 111.68 0.252 . . . . 2.3 111.68 -178.588 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.6 tp10 -73.8 -34.1 64.49 Favored 'General case' 0 C--N 1.314 -0.976 0 N-CA-C 108.362 -0.977 . . . . 1.92 108.362 -179.112 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.533 ' HB ' HG23 ' A' ' 73' ' ' THR . 18.3 mt -67.76 -56.4 13.23 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.382 0 CA-C-N 114.6 -1.182 . . . . 0.29 108.307 179.019 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.786 HG21 HD11 ' A' ' 28' ' ' LEU . 57.5 t -54.16 -41.04 49.4 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.017 0 CA-C-N 115.99 -0.55 . . . . 0.32 111.103 176.222 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.58 -33.64 76.38 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-O 121.163 0.506 . . . . 0.32 110.245 177.464 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.06 -43.48 90.5 Favored Glycine 0 N--CA 1.436 -1.314 0 N-CA-C 110.108 -1.197 . . . . 0.31 110.108 176.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.471 ' O ' HG23 ' A' ' 15' ' ' VAL . 96.6 mt -59.63 -48.44 81.64 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 109.161 -0.681 . . . . 0.29 109.161 176.111 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.34 -44.06 71.78 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 114.835 -1.075 . . . . 0.24 112.258 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -68.25 -37.71 81.04 Favored 'General case' 0 CA--C 1.517 -0.326 0 C-N-CA 119.953 -0.699 . . . . 1.46 111.941 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 95.4 mt -62.86 -49.18 84.68 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.186 0 N-CA-C 109.161 -0.681 . . . . 0.41 109.161 176.528 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 11' ' ' LEU . 96.5 t -57.9 -48.96 82.67 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.263 0 CA-C-N 115.718 -0.673 . . . . 0.29 110.184 178.025 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -63.53 -32.59 74.09 Favored 'General case' 0 C--N 1.302 -1.498 0 CA-C-O 121.168 0.508 . . . . 0.64 111.509 -179.261 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -74.46 -44.56 51.07 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 115.885 -0.598 . . . . 2.0 110.725 -179.098 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.689 HG21 ' HB2' ' A' ' 45' ' ' GLU . 72.8 mt -98.24 -52.73 8.69 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 N-CA-C 113.049 0.759 . . . . 0.28 113.049 -173.381 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.663 ' HB2' HG13 ' A' ' 38' ' ' VAL . . . -74.89 -40.52 60.87 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 109.135 -0.691 . . . . 0.34 109.135 179.556 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.4 3.31 61.44 Favored Glycine 0 N--CA 1.451 -0.366 0 CA-C-N 115.046 -0.979 . . . . 0.46 111.14 -179.165 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.469 ' HA ' ' HD2' ' A' ' 22' ' ' PRO . 50.6 mm -81.8 137.31 47.26 Favored Pre-proline 0 C--N 1.311 -1.074 0 C-N-CA 123.641 0.776 . . . . 0.42 110.286 -176.477 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.469 ' HD2' ' HA ' ' A' ' 21' ' ' ILE . 6.3 Cg_exo -33.91 128.71 0.17 Allowed 'Trans proline' 0 C--N 1.359 1.103 1 C-N-CA 125.729 4.286 . . . . 0.41 115.426 175.137 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 66.5 t -57.45 -37.55 58.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 113.825 -1.534 . . . . 0.69 108.284 178.565 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.562 ' O ' ' HE2' ' A' ' 27' ' ' LYS . 9.3 pt-20 -97.83 11.05 38.57 Favored 'General case' 0 N--CA 1.41 -2.451 0 N-CA-C 114.915 1.45 . . . . 2.34 114.915 -176.371 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.515 ' O ' ' HE3' ' A' ' 30' ' ' LYS . 17.8 t70 -91.74 -12.87 32.7 Favored 'General case' 0 C--O 1.211 -0.95 0 N-CA-C 105.679 -1.971 . . . . 0.69 105.679 169.613 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 50.7 t -80.24 78.85 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.049 0 CA-C-N 113.64 -1.618 . . . . 0.4 109.34 179.159 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.733 ' O ' HG21 ' A' ' 69' ' ' VAL . 74.2 mmtt -92.91 -160.55 0.76 Allowed 'General case' 0 C--O 1.2 -1.507 0 N-CA-C 105.996 -1.853 . . . . 1.67 105.996 175.242 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.786 HD11 HG21 ' A' ' 8' ' ' VAL . 10.9 mp -104.71 10.85 34.56 Favored 'General case' 0 N--CA 1.485 1.288 0 CA-C-N 119.275 0.943 . . . . 1.08 112.624 179.461 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -110.64 13.8 22.45 Favored 'General case' 0 C--N 1.28 -2.427 0 N-CA-C 108.014 -1.106 . . . . 2.11 108.014 -179.235 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.596 ' O ' HG22 ' A' ' 69' ' ' VAL . 66.1 mmtt -105.62 118.65 37.13 Favored 'General case' 0 N--CA 1.423 -1.78 0 CA-C-N 114.449 -1.25 . . . . 1.02 114.223 -170.386 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.701 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 14.6 m -91.23 112.39 24.28 Favored 'General case' 0 N--CA 1.394 -3.246 0 N-CA-C 106.351 -1.722 . . . . 1.16 106.351 170.661 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.779 ' HA ' HD12 ' A' ' 36' ' ' LEU . 97.4 m-85 -34.57 -83.09 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.867 1.267 . . . . 0.36 113.911 177.888 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.508 HG23 ' HB ' ' A' ' 38' ' ' VAL . 0.7 OUTLIER -79.79 56.16 2.22 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 114.843 1.423 . . . . 0.47 114.843 177.569 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.701 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 14.3 t70 -158.51 -66.15 0.09 Allowed 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 114.768 -1.106 . . . . 0.73 110.166 177.127 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -90.99 -44.44 9.33 Favored 'General case' 0 CA--C 1.501 -0.913 0 CA-C-N 116.266 -0.425 . . . . 1.46 109.984 -175.126 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.779 HD12 ' HA ' ' A' ' 32' ' ' PHE . 96.6 mt -69.71 -40.02 76.53 Favored 'General case' 0 CA--C 1.511 -0.531 0 N-CA-C 109.225 -0.657 . . . . 0.58 109.225 178.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.7 t70 68.92 83.63 0.16 Allowed 'General case' 0 CA--C 1.509 -0.628 0 C-N-CA 124.897 1.279 . . . . 1.14 109.718 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.663 HG13 ' HB2' ' A' ' 19' ' ' ALA . 95.9 t -91.15 -89.33 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.298 -1.671 0 CA-C-N 114.222 -1.354 . . . . 1.79 109.671 -176.533 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.468 ' HB3' ' HB3' ' A' ' 42' ' ' SER . 17.1 t70 164.59 177.95 0.02 OUTLIER 'General case' 0 CA--C 1.504 -0.809 0 N-CA-C 103.147 -2.909 . . . . 0.79 103.147 -179.803 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.441 ' O ' HG23 ' A' ' 44' ' ' VAL . 23.9 t -93.91 -37.13 11.86 Favored 'General case' 0 C--N 1.27 -2.85 0 N-CA-C 109.14 -0.689 . . . . 1.23 109.14 -176.362 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 97.0 mt -78.5 -32.66 48.25 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 108.469 -0.938 . . . . 1.02 108.469 -177.499 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.553 ' OG ' HG22 ' A' ' 18' ' ' ILE . 24.7 t -70.94 -34.99 72.02 Favored 'General case' 0 N--CA 1.419 -1.976 0 CA-C-N 113.895 -1.502 . . . . 1.02 107.868 178.61 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.505 ' HB2' ' HE2' ' A' ' 43' ' ' MET . 26.4 tpp -64.21 -43.38 95.19 Favored 'General case' 0 C--O 1.215 -0.732 0 CA-C-N 116.094 -0.503 . . . . 0.55 110.835 179.28 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 40' ' ' SER . 57.4 t -59.04 -37.72 69.62 Favored 'Isoleucine or valine' 0 C--O 1.236 0.379 0 N-CA-C 109.611 -0.515 . . . . 0.56 109.611 178.079 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.689 ' HB2' HG21 ' A' ' 18' ' ' ILE . 44.0 mt-10 -68.05 -43.45 78.65 Favored 'General case' 0 N--CA 1.433 -1.289 0 N-CA-C 109.631 -0.507 . . . . 2.08 109.631 177.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 42' ' ' SER . 99.3 t -56.28 -49.72 75.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 O-C-N 123.747 0.655 . . . . 0.52 109.641 177.591 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.619 HG13 HG21 ' A' ' 63' ' ' VAL . 76.8 t -51.88 -63.27 0.47 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.617 0 O-C-N 123.871 0.732 . . . . 0.38 110.075 176.641 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 92.3 t -53.32 -46.0 56.97 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.488 0 N-CA-C 112.346 0.498 . . . . 0.58 112.346 178.033 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.37 -32.63 74.32 Favored 'General case' 0 C--N 1.321 -0.643 0 O-C-N 121.96 -0.462 . . . . 0.42 112.054 -178.23 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.69 -39.59 89.07 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-O 120.98 0.419 . . . . 0.38 110.479 178.753 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.693 ' HG2' ' H ' ' A' ' 58' ' ' ILE . 41.7 mt-10 -63.79 -32.41 73.91 Favored 'General case' 0 C--O 1.202 -1.4 0 CA-C-N 115.461 -0.79 . . . . 1.36 110.454 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -83.27 -39.69 20.53 Favored 'General case' 0 C--N 1.292 -1.902 0 CA-C-O 121.577 0.703 . . . . 2.09 109.723 -177.019 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.3 tpm_? -68.55 -39.16 81.2 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.147 -0.933 . . . . 2.75 110.07 -175.692 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.491 ' CE2' HD13 ' A' ' 76' ' ' ILE . 48.2 m-85 -108.02 -1.42 20.54 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 115.455 -0.793 . . . . 0.73 112.261 -176.161 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.7 t70 72.58 -13.9 0.61 Allowed 'General case' 0 N--CA 1.497 1.883 0 C-N-CA 124.535 1.134 . . . . 2.02 113.191 178.336 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.577 ' O ' ' HA ' ' A' ' 51' ' ' GLU . 7.6 p -94.41 124.34 46.86 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.204 0 O-C-N 121.86 -0.525 . . . . 1.61 110.496 -177.16 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -71.8 126.03 28.67 Favored 'General case' 0 C--N 1.304 -1.401 0 CA-C-N 115.288 -0.869 . . . . 1.67 110.261 -178.39 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.742 HG22 HG23 ' A' ' 63' ' ' VAL . 28.7 mt -136.85 93.23 13.84 Favored Pre-proline 0 C--N 1.301 -1.543 0 N-CA-C 106.396 -1.705 . . . . 0.49 106.396 -178.341 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -73.58 156.53 49.44 Favored 'Trans proline' 0 N--CA 1.447 -1.256 0 C-N-CA 121.593 1.528 . . . . 0.62 111.458 -179.5 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.465 ' HA ' ' HB ' ' A' ' 63' ' ' VAL . 3.1 t70 -41.88 -39.29 1.77 Allowed 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 124.772 1.229 . . . . 2.0 111.949 175.112 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -62.1 -38.7 89.88 Favored 'General case' 0 C--N 1.309 -1.157 0 CA-C-N 114.902 -1.045 . . . . 2.09 111.755 -176.731 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -85.94 -33.35 21.19 Favored 'General case' 0 N--CA 1.485 1.294 0 CA-C-O 121.618 0.723 . . . . 1.58 109.424 176.683 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.742 HG23 HG22 ' A' ' 58' ' ' ILE . 1.4 t -56.49 -27.4 24.81 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.396 0 CA-C-N 114.589 -1.187 . . . . 0.69 111.553 176.357 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.443 ' HG2' ' O ' ' A' ' 60' ' ' ASP . 60.5 mmtt -58.58 -28.9 65.99 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.937 -0.574 . . . . 2.44 111.655 177.843 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -85.65 -11.61 53.42 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-O 121.431 0.634 . . . . 1.94 109.777 -175.35 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.577 HD13 ' HA ' ' A' ' 72' ' ' ALA . 67.5 mt -76.63 -60.48 2.33 Favored 'General case' 0 C--O 1.204 -1.3 0 C-N-CA 120.608 -0.437 . . . . 1.67 111.674 -175.617 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . 0.404 0.1 OUTLIER 57.85 -17.29 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.897 0 N-CA-C 117.099 2.259 . . . . 3.18 117.099 -179.365 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 22.5 p -140.73 170.29 16.04 Favored 'General case' 0 C--O 1.241 0.613 0 CA-C-O 121.417 0.627 . . . . 0.51 111.56 175.647 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.733 HG21 ' O ' ' A' ' 27' ' ' LYS . 4.0 m -62.37 -44.35 99.12 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 CA-C-N 114.575 -1.193 . . . . 0.35 110.619 174.023 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.452 ' N ' HG23 ' A' ' 69' ' ' VAL . . . -59.04 -45.8 94.7 Favored Glycine 0 N--CA 1.442 -0.922 0 CA-C-N 115.452 -0.794 . . . . 0.3 112.676 -179.685 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.431 ' HA ' ' HB3' ' A' ' 74' ' ' LYS . 1.4 m-20 -71.11 -34.54 71.19 Favored 'General case' 0 CA--C 1.494 -1.207 0 CA-C-N 117.234 0.517 . . . . 1.79 111.698 178.017 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.577 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -55.03 -59.12 5.18 Favored 'General case' 0 CA--C 1.516 -0.357 0 N-CA-C 108.061 -1.088 . . . . 0.29 108.061 175.053 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.533 HG23 ' HB ' ' A' ' 7' ' ' ILE . 51.4 m -48.27 -51.66 24.76 Favored 'General case' 0 C--O 1.192 -1.921 0 C-N-CA 123.993 0.917 . . . . 0.31 111.846 171.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.431 ' HB3' ' HA ' ' A' ' 71' ' ' ASP . 50.4 tptt -50.62 -41.57 55.1 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.249 0.62 . . . . 2.93 111.763 178.77 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.421 ' O ' ' HB2' ' A' ' 79' ' ' HIS . 45.4 t80 -69.27 -53.92 17.28 Favored 'General case' 0 C--O 1.202 -1.404 0 N-CA-C 107.924 -1.139 . . . . 0.53 107.924 -178.386 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.491 HD13 ' CE2' ' A' ' 54' ' ' PHE . 71.5 mt -54.23 -54.82 18.19 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.315 0 C-N-CA 124.447 1.099 . . . . 0.27 110.592 178.609 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 61.5 tp -48.57 -48.61 38.69 Favored 'General case' 0 C--N 1.318 -0.794 0 C-N-CA 124.3 1.04 . . . . 1.15 111.459 -179.432 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -84.54 -34.56 23.25 Favored 'General case' 0 C--N 1.302 -1.472 0 CA-C-N 115.223 -0.899 . . . . 0.67 112.604 -174.178 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.421 ' HB2' ' O ' ' A' ' 75' ' ' TYR . 36.3 m-70 -96.24 -7.6 35.13 Favored 'General case' 0 C--N 1.305 -1.351 0 N-CA-C 115.086 1.513 . . . . 1.53 115.086 -171.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -70.69 172.85 7.99 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 114.441 1.274 . . . . 0.89 114.441 -173.805 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.428 -1.556 0 CA-C-N 114.482 -1.235 . . . . 2.36 110.063 -175.481 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.456 ' O ' HG13 ' A' ' 7' ' ' ILE . 4.6 m . . . . . 0 N--CA 1.418 -2.04 0 N-CA-C 106.209 -1.775 . . . . 1.05 106.209 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.562 ' HA ' HD12 ' A' ' 7' ' ' ILE . 17.6 mt-30 -45.02 -42.5 8.45 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 114.124 1.157 . . . . 1.25 114.124 -172.337 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -65.59 -41.32 92.96 Favored 'General case' 0 C--O 1.2 -1.551 0 N-CA-C 110.247 -0.279 . . . . 2.3 110.247 179.112 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.436 ' HA ' ' HB3' ' A' ' 9' ' ' ALA . 35.7 tt0 -68.86 -21.93 64.24 Favored 'General case' 0 C--N 1.313 -1.018 0 C-N-CA 123.503 0.721 . . . . 1.92 110.402 179.113 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.562 HD12 ' HA ' ' A' ' 4' ' ' GLN . 41.4 mt -69.79 -59.1 3.89 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.824 0 N-CA-C 106.917 -1.512 . . . . 0.29 106.917 174.276 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.598 ' HA ' HD12 ' A' ' 11' ' ' LEU . 66.3 t -56.6 -41.54 73.89 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.067 0 CA-C-N 115.408 -0.815 . . . . 0.32 110.35 177.277 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.436 ' HB3' ' HA ' ' A' ' 6' ' ' GLU . . . -63.72 -38.88 92.77 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 122.938 0.495 . . . . 0.32 110.723 176.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.75 -48.02 86.7 Favored Glycine 0 CA--C 1.495 -1.167 0 N-CA-C 109.819 -1.312 . . . . 0.31 109.819 175.595 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.598 HD12 ' HA ' ' A' ' 8' ' ' VAL . 97.6 mt -56.24 -46.32 79.63 Favored 'General case' 0 N--CA 1.436 -1.134 0 C-N-CA 123.524 0.73 . . . . 0.29 109.659 175.799 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.69 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -58.21 -43.58 87.71 Favored 'General case' 0 C--N 1.315 -0.926 0 C-N-CA 124.111 0.964 . . . . 0.24 112.248 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.502 ' HA ' HG22 ' A' ' 23' ' ' VAL . 10.7 pt-20 -73.33 -28.73 62.23 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 112.9 0.704 . . . . 1.46 112.9 -179.706 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 89.9 mt -67.81 -50.78 56.87 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.194 0 N-CA-C 108.183 -1.043 . . . . 0.41 108.183 172.71 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.665 HG12 ' HB ' ' A' ' 21' ' ' ILE . 84.2 t -60.24 -35.54 62.73 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.566 0 CA-C-N 115.462 -0.79 . . . . 0.29 110.691 177.835 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.492 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 61.9 t30 -60.04 -39.17 85.01 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-O 121.077 0.465 . . . . 0.64 110.336 178.138 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -79.91 -52.07 8.33 Favored 'General case' 0 C--N 1.306 -1.293 0 CA-C-N 115.34 -0.845 . . . . 2.0 111.742 -176.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.69 HG22 ' HB3' ' A' ' 42' ' ' SER . 68.8 mt -82.16 -53.5 11.74 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 N-CA-C 112.094 0.405 . . . . 0.28 112.094 -174.397 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.763 ' HB2' HG13 ' A' ' 38' ' ' VAL . . . -77.74 -37.87 48.27 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.289 0.566 . . . . 0.34 110.045 -178.399 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.41 28.83 10.86 Favored Glycine 0 N--CA 1.446 -0.663 0 N-CA-C 110.797 -0.921 . . . . 0.46 110.797 -178.356 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.665 ' HB ' HG12 ' A' ' 15' ' ' VAL . 51.5 mm -108.47 126.81 28.71 Favored Pre-proline 0 C--N 1.316 -0.879 0 N-CA-C 109.541 -0.54 . . . . 0.42 109.541 -177.424 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.503 ' HD2' ' HA ' ' A' ' 21' ' ' ILE . 2.9 Cg_exo -34.93 135.49 0.15 Allowed 'Trans proline' 0 N--CA 1.457 -0.652 1 C-N-CA 125.481 4.121 . . . . 0.41 115.094 175.846 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.69 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 29.7 t -65.95 -5.12 2.66 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 CA-C-N 114.366 -1.288 . . . . 0.69 109.318 177.309 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -105.2 -20.46 13.5 Favored 'General case' 0 N--CA 1.422 -1.869 0 CA-C-N 114.82 -1.082 . . . . 2.34 111.346 -178.462 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -84.15 -28.19 27.58 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 108.771 -0.826 . . . . 0.69 108.771 -175.383 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.514 HG22 HD13 ' A' ' 36' ' ' LEU . 88.2 t -84.82 81.4 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.262 0 CA-C-N 113.565 -1.652 . . . . 0.4 109.501 -178.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.589 ' O ' HG21 ' A' ' 69' ' ' VAL . 13.2 pttm -113.98 168.37 9.87 Favored 'General case' 0 C--N 1.289 -2.052 0 CA-C-N 114.139 -1.392 . . . . 1.67 108.21 176.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.76 ' HA ' HG23 ' A' ' 69' ' ' VAL . 4.9 tt -67.42 6.03 0.67 Allowed 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 115.408 1.633 . . . . 1.08 115.408 -166.779 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -110.58 13.59 22.56 Favored 'General case' 0 C--N 1.28 -2.436 0 O-C-N 121.117 -0.99 . . . . 2.11 108.922 179.523 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.558 ' HB3' ' HG ' ' A' ' 36' ' ' LEU . 70.2 mmtt -113.2 135.03 54.26 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 114.153 1.168 . . . . 1.02 114.153 -172.81 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.662 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 16.0 m -94.81 117.72 30.59 Favored 'General case' 0 N--CA 1.402 -2.851 0 N-CA-C 107.105 -1.443 . . . . 1.16 107.105 171.714 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.83 ' HA ' HD12 ' A' ' 36' ' ' LEU . 98.4 m-85 -39.89 -88.47 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 114.208 1.188 . . . . 0.36 114.208 177.772 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.655 HG23 ' HB ' ' A' ' 38' ' ' VAL . 0.3 OUTLIER -80.22 59.24 3.29 Favored 'General case' 0 C--N 1.313 -0.996 0 O-C-N 121.73 -0.606 . . . . 0.47 112.424 178.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -165.52 -65.97 0.03 OUTLIER 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 115.482 -0.781 . . . . 0.73 110.25 179.159 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -91.96 -49.9 5.99 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 116.14 -0.482 . . . . 1.46 109.789 -174.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.83 HD12 ' HA ' ' A' ' 32' ' ' PHE . 89.1 mt -65.84 -43.6 88.01 Favored 'General case' 0 CA--C 1.499 -1.015 0 CA-C-N 115.592 -0.731 . . . . 0.58 110.006 178.419 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.6 t70 73.57 94.38 0.08 Allowed 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 113.253 -1.794 . . . . 1.14 110.607 -175.173 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.763 HG13 ' HB2' ' A' ' 19' ' ' ALA . 69.8 t -87.62 -78.51 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.912 0 N-CA-C 107.258 -1.386 . . . . 1.79 107.258 177.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -179.58 -91.97 0.0 OUTLIER 'General case' 0 C--N 1.29 -1.987 0 CA-C-N 114.274 -1.33 . . . . 0.79 109.272 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.3 t 175.44 -59.04 0.01 OUTLIER 'General case' 0 N--CA 1.431 -1.39 0 N-CA-C 106.839 -1.541 . . . . 1.23 106.839 -176.046 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 84.2 mt -79.26 -32.57 43.75 Favored 'General case' 0 C--N 1.306 -1.313 0 CA-C-O 122.035 0.921 . . . . 1.02 108.863 -175.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.69 ' HB3' HG22 ' A' ' 18' ' ' ILE . 42.6 m -69.93 -14.63 62.81 Favored 'General case' 0 N--CA 1.432 -1.365 0 CA-C-N 114.028 -1.442 . . . . 1.02 110.664 178.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.475 ' HB2' ' HE2' ' A' ' 43' ' ' MET . 29.5 tpp -67.2 -46.79 72.84 Favored 'General case' 0 N--CA 1.429 -1.507 0 CA-C-N 116.181 -0.463 . . . . 0.55 111.681 -178.346 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 59.0 t -65.85 -23.87 33.13 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.13 0 CA-C-N 115.948 -0.569 . . . . 0.56 110.384 -177.532 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.594 ' HB2' HG21 ' A' ' 18' ' ' ILE . 5.7 mm-40 -72.39 -38.22 68.53 Favored 'General case' 0 N--CA 1.437 -1.08 0 N-CA-C 108.007 -1.109 . . . . 2.08 108.007 178.513 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 42' ' ' SER . 84.0 t -64.02 -46.6 93.43 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-N 115.267 -0.878 . . . . 0.52 108.944 178.04 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 43' ' ' MET . 60.2 t -52.55 -63.37 0.48 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.404 0 O-C-N 124.056 0.848 . . . . 0.38 109.137 177.277 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.423 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 91.8 t -48.38 -46.58 14.29 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.666 0 CA-C-N 115.937 -0.574 . . . . 0.58 112.222 174.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.87 -32.78 74.48 Favored 'General case' 0 C--O 1.241 0.607 0 N-CA-C 112.763 0.653 . . . . 0.42 112.763 -178.02 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.57 -35.48 81.13 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 122.423 0.289 . . . . 0.38 110.349 178.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.61 ' HG2' ' H ' ' A' ' 58' ' ' ILE . 31.8 mt-10 -59.67 -43.63 93.91 Favored 'General case' 0 C--O 1.219 -0.552 0 CA-C-O 121.422 0.629 . . . . 1.36 110.078 179.387 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -73.53 -33.59 64.8 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 115.026 -0.988 . . . . 2.09 111.198 -178.483 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 27.3 tpt180 -76.03 -35.24 59.58 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-O 121.097 0.475 . . . . 2.75 111.064 -174.697 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.493 ' CE2' HD13 ' A' ' 76' ' ' ILE . 35.5 m-85 -108.71 -3.9 17.45 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 112.686 0.625 . . . . 0.73 112.686 -175.176 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.3 t70 72.65 1.16 3.89 Favored 'General case' 0 N--CA 1.494 1.74 0 C-N-CA 125.39 1.476 . . . . 2.02 111.738 178.286 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.577 ' O ' ' HA ' ' A' ' 51' ' ' GLU . 3.2 p -104.0 121.63 55.8 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.333 0 CA-C-N 115.68 -0.691 . . . . 1.61 109.733 -179.583 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.458 ' HE2' ' OE2' ' A' ' 51' ' ' GLU . 14.7 mmmm -68.91 131.14 44.62 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 115.821 -0.627 . . . . 1.67 109.403 179.633 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.61 ' H ' ' HG2' ' A' ' 51' ' ' GLU . 37.5 mt -128.32 99.67 24.03 Favored Pre-proline 0 C--N 1.3 -1.566 0 N-CA-C 106.785 -1.561 . . . . 0.49 106.785 -177.438 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -77.03 141.41 20.99 Favored 'Trans proline' 0 N--CA 1.443 -1.445 0 C-N-CA 121.686 1.59 . . . . 0.62 113.365 -176.569 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.622 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 5.5 t70 -36.65 -37.69 0.14 Allowed 'General case' 0 C--O 1.205 -1.238 0 C-N-CA 126.1 1.76 . . . . 2.0 113.802 172.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -81.23 -30.67 34.12 Favored 'General case' 0 C--N 1.309 -1.17 0 N-CA-C 113.182 0.808 . . . . 2.09 113.182 -177.633 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -86.4 -32.19 21.04 Favored 'General case' 0 C--N 1.306 -1.287 0 N-CA-C 107.875 -1.157 . . . . 1.58 107.875 -178.281 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.585 HG12 ' O ' ' A' ' 60' ' ' ASP . 1.4 p -61.26 -21.6 25.3 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.01 0 CA-C-N 114.583 -1.19 . . . . 0.69 110.381 179.383 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.622 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 95.1 mttt -62.97 -10.39 13.52 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.155 0.982 . . . . 2.44 112.708 177.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -88.48 -24.13 23.06 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 108.405 -0.961 . . . . 1.94 108.405 178.244 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.83 HD13 ' HA ' ' A' ' 72' ' ' ALA . 12.1 mt -96.15 112.33 24.1 Favored 'General case' 0 N--CA 1.411 -2.377 0 N-CA-C 107.956 -1.127 . . . . 1.67 107.956 -173.796 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.547 ' HD2' ' OD2' ' A' ' 71' ' ' ASP 0.277 0.0 OUTLIER -110.38 -28.49 8.54 Favored 'General case' 0 C--N 1.287 -2.149 0 N-CA-C 113.06 0.763 . . . . 3.18 113.06 176.901 . . . . . . . . 4 4 . 1 . 004 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.662 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 72.9 p -104.16 176.61 5.1 Favored 'General case' 0 N--CA 1.436 -1.154 0 C-N-CA 119.369 -0.932 . . . . 0.51 110.817 173.808 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.76 HG23 ' HA ' ' A' ' 28' ' ' LEU . 15.9 m -69.55 -33.64 57.92 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.587 0 CA-C-N 114.542 -1.208 . . . . 0.35 108.958 172.36 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -66.54 -36.78 91.93 Favored Glycine 0 N--CA 1.435 -1.418 0 CA-C-N 115.327 -0.852 . . . . 0.3 111.191 176.644 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.579 ' HB3' ' HA ' ' A' ' 66' ' ' LEU . 26.1 m-20 -67.36 -45.04 77.49 Favored 'General case' 0 CA--C 1.486 -1.504 0 N-CA-C 110.015 -0.365 . . . . 1.79 110.015 176.061 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.83 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -52.99 -59.13 4.93 Favored 'General case' 0 CA--C 1.515 -0.368 0 N-CA-C 108.629 -0.878 . . . . 0.29 108.629 176.786 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 44.0 m -48.56 -44.29 36.47 Favored 'General case' 0 C--O 1.19 -2.075 0 C-N-CA 123.854 0.862 . . . . 0.31 112.084 172.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.504 ' HB3' ' O ' ' A' ' 71' ' ' ASP . 26.2 ttpp -52.48 -39.63 61.43 Favored 'General case' 0 N--CA 1.484 1.255 0 CA-C-N 118.651 0.66 . . . . 2.93 111.317 176.865 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.606 ' HB2' HD21 ' A' ' 66' ' ' LEU . 60.5 t80 -76.76 -56.75 4.33 Favored 'General case' 0 C--O 1.2 -1.53 0 N-CA-C 108.194 -1.039 . . . . 0.53 108.194 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.493 HD13 ' CE2' ' A' ' 54' ' ' PHE . 70.0 mt -56.54 -52.01 58.33 Favored 'Isoleucine or valine' 0 C--O 1.188 -2.175 0 C-N-CA 124.662 1.185 . . . . 0.27 111.432 -175.779 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.52 HD13 ' HG2' ' A' ' 4' ' ' GLN . 35.1 tp -58.62 -34.31 71.01 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.084 0.553 . . . . 1.15 111.925 -178.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -88.04 -31.38 19.32 Favored 'General case' 0 C--N 1.299 -1.619 0 CA-C-O 122.212 1.006 . . . . 0.67 110.514 -177.429 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 22.5 m-70 -97.15 5.79 49.59 Favored 'General case' 0 C--N 1.295 -1.785 0 CA-C-N 114.663 -1.153 . . . . 1.53 112.391 -176.428 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.401 ' OE1' HG22 ' A' ' 76' ' ' ILE . 9.9 mm100 -42.03 140.98 0.96 Allowed 'General case' 0 C--O 1.241 0.632 0 C-N-CA 124.394 1.078 . . . . 0.89 113.274 177.565 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.424 -1.77 0 CA-C-N 114.773 -1.103 . . . . 2.36 108.317 175.941 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.724 HG22 ' HG2' ' A' ' 5' ' ' GLU . 7.5 m . . . . . 0 N--CA 1.43 -1.448 0 N-CA-C 109.259 -0.645 . . . . 1.05 109.259 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -53.23 -36.82 61.47 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.811 0.845 . . . . 1.25 112.074 -176.622 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.724 ' HG2' HG22 ' A' ' 3' ' ' THR . 10.8 pt-20 -73.06 -26.56 61.33 Favored 'General case' 0 C--N 1.302 -1.495 0 CA-C-N 115.618 -0.719 . . . . 2.3 110.849 -178.643 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.427 ' HB3' ' O ' ' A' ' 3' ' ' THR . 33.9 tt0 -73.01 -35.75 66.86 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 107.769 -1.197 . . . . 1.92 107.769 177.641 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.586 HG13 ' O ' ' A' ' 3' ' ' THR . 22.3 mt -66.94 -53.58 32.86 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.589 0 CA-C-N 114.261 -1.336 . . . . 0.29 107.977 177.884 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.758 HG21 HD11 ' A' ' 28' ' ' LEU . 58.5 t -57.62 -37.47 59.02 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.236 0 CA-C-N 116.192 -0.458 . . . . 0.32 111.937 177.143 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.2 -38.64 91.96 Favored 'General case' 0 C--O 1.243 0.736 0 CA-C-O 121.165 0.507 . . . . 0.32 110.056 176.05 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.95 -42.32 85.78 Favored Glycine 0 N--CA 1.436 -1.319 0 N-CA-C 110.673 -0.971 . . . . 0.31 110.673 178.017 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.487 ' O ' HG23 ' A' ' 15' ' ' VAL . 95.4 mt -60.74 -49.09 78.91 Favored 'General case' 0 C--N 1.307 -1.263 0 N-CA-C 110.175 -0.305 . . . . 0.29 110.175 175.746 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.49 -43.1 75.28 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 123.94 0.896 . . . . 0.24 112.393 -178.53 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -64.44 -39.05 93.08 Favored 'General case' 0 C--O 1.239 0.519 0 C-N-CA 120.503 -0.479 . . . . 1.46 111.484 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 91.3 mt -64.55 -52.11 59.14 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.129 0 CA-C-N 115.565 -0.743 . . . . 0.41 109.032 176.597 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 11' ' ' LEU . 95.5 t -54.96 -47.61 76.24 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.901 0 CA-C-N 115.092 -0.958 . . . . 0.29 111.18 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -63.57 -30.71 71.79 Favored 'General case' 0 C--N 1.301 -1.522 0 C-N-CA 120.68 -0.408 . . . . 0.64 111.372 -179.132 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -76.76 -47.25 22.28 Favored 'General case' 0 C--N 1.31 -1.144 0 CA-C-N 116.018 -0.537 . . . . 2.0 110.823 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.598 HG21 ' HB2' ' A' ' 45' ' ' GLU . 69.4 mt -93.9 -53.9 7.88 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.941 0 N-CA-C 112.584 0.587 . . . . 0.28 112.584 -174.391 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.477 ' HB2' HG13 ' A' ' 38' ' ' VAL . . . -75.57 -30.93 59.83 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-O 120.826 0.346 . . . . 0.34 110.535 -177.5 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 82.03 22.22 59.71 Favored Glycine 0 N--CA 1.447 -0.575 0 CA-C-N 115.253 -0.885 . . . . 0.46 111.758 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.693 HG21 HD22 ' A' ' 36' ' ' LEU . 50.1 mm -101.34 136.63 19.62 Favored Pre-proline 0 C--N 1.307 -1.269 0 CA-C-N 115.845 -0.177 . . . . 0.42 110.597 -176.361 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.506 ' HD2' ' HA ' ' A' ' 21' ' ' ILE . 5.5 Cg_exo -33.06 123.58 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.211 1 C-N-CA 125.882 4.388 . . . . 0.41 114.565 173.688 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 61.3 t -56.0 -38.19 51.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.65 0 CA-C-N 114.082 -1.417 . . . . 0.69 109.55 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.301 48.5 mt-10 -97.31 2.4 50.64 Favored 'General case' 0 N--CA 1.42 -1.948 0 N-CA-C 114.634 1.346 . . . . 2.34 114.634 -176.623 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.453 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 33.2 t70 -86.45 -23.09 26.15 Favored 'General case' 0 CA--C 1.498 -1.05 0 N-CA-C 106.961 -1.496 . . . . 0.69 106.961 170.556 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.644 HG13 HG11 ' A' ' 69' ' ' VAL . 41.8 t -70.11 74.07 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.892 0 CA-C-N 114.21 -1.359 . . . . 0.4 109.867 175.724 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.705 ' O ' HG21 ' A' ' 69' ' ' VAL . 46.9 mttp -100.7 177.46 4.99 Favored 'General case' 0 C--O 1.2 -1.513 0 N-CA-C 105.544 -2.021 . . . . 1.67 105.544 175.652 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.758 HD11 HG21 ' A' ' 8' ' ' VAL . 9.7 mp -78.62 0.45 26.36 Favored 'General case' 0 C--N 1.29 -2.004 0 N-CA-C 115.738 1.755 . . . . 1.08 115.738 -170.337 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -104.88 10.9 34.2 Favored 'General case' 0 C--N 1.278 -2.506 0 N-CA-C 108.976 -0.75 . . . . 2.11 108.976 -179.083 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.488 ' O ' HG22 ' A' ' 69' ' ' VAL . 74.9 mmtt -97.65 110.85 23.34 Favored 'General case' 0 N--CA 1.418 -2.054 0 CA-C-N 114.84 -1.073 . . . . 1.02 112.511 -174.678 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.667 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 50.3 m -85.77 114.07 22.44 Favored 'General case' 0 N--CA 1.394 -3.231 0 N-CA-C 106.546 -1.649 . . . . 1.16 106.546 171.297 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.629 ' HA ' HD12 ' A' ' 36' ' ' LEU . 93.7 m-85 -33.66 -83.02 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 124.597 1.159 . . . . 0.36 113.87 179.287 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.581 HG23 ' HB ' ' A' ' 38' ' ' VAL . 1.1 p -84.41 65.38 8.89 Favored 'General case' 0 C--N 1.302 -1.491 0 CA-C-O 121.673 0.749 . . . . 0.47 112.965 176.309 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.667 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 14.0 t70 -161.73 -61.68 0.05 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.277 -1.329 . . . . 0.73 109.464 177.839 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -93.65 -57.94 2.42 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.157 -0.682 . . . . 1.46 109.157 -178.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.693 HD22 HG21 ' A' ' 21' ' ' ILE . 76.4 mt -63.6 -44.53 93.74 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-N 114.931 -1.031 . . . . 0.58 110.003 -177.493 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.9 t70 71.2 82.5 0.15 Allowed 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 125.192 1.397 . . . . 1.14 108.691 179.385 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.581 ' HB ' HG23 ' A' ' 33' ' ' THR . 86.3 t -81.21 -90.22 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.306 -1.323 0 CA-C-N 114.204 -1.362 . . . . 1.79 110.39 -175.6 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.533 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 24.8 t70 172.57 -174.38 0.05 OUTLIER 'General case' 0 C--N 1.293 -1.868 0 N-CA-C 103.93 -2.618 . . . . 0.79 103.93 -177.727 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.431 ' H ' ' CG ' ' A' ' 39' ' ' ASP . 8.2 t -101.96 -38.88 7.59 Favored 'General case' 0 C--N 1.267 -2.987 0 N-CA-C 108.854 -0.795 . . . . 1.23 108.854 -174.84 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 94.8 mt -85.12 -35.42 21.78 Favored 'General case' 0 C--N 1.31 -1.138 0 N-CA-C 108.938 -0.764 . . . . 1.02 108.938 -179.378 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.584 ' HB3' HG22 ' A' ' 18' ' ' ILE . 19.0 m -66.99 -25.76 66.47 Favored 'General case' 0 N--CA 1.441 -0.885 0 CA-C-N 115.254 -0.885 . . . . 1.02 109.547 -179.569 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.508 ' O ' HG23 ' A' ' 47' ' ' VAL . 31.7 tpp -61.77 -48.55 80.14 Favored 'General case' 0 N--CA 1.438 -1.034 0 CA-C-N 115.579 -0.737 . . . . 0.55 110.546 178.243 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 47.1 t -69.52 -26.79 31.88 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.292 0 CA-C-N 115.012 -0.995 . . . . 0.56 110.671 -175.299 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.598 ' HB2' HG21 ' A' ' 18' ' ' ILE . 38.3 mt-10 -70.99 -38.59 72.72 Favored 'General case' 0 N--CA 1.433 -1.284 0 N-CA-C 109.077 -0.712 . . . . 2.08 109.077 176.475 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 42' ' ' SER . 86.1 t -59.23 -46.01 92.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 N-CA-C 108.934 -0.765 . . . . 0.52 108.934 175.484 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.602 HG22 HG21 ' A' ' 63' ' ' VAL . 70.1 t -53.51 -63.98 0.46 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.707 0 CA-C-N 115.472 -0.786 . . . . 0.38 109.886 176.386 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.458 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 92.3 t -53.19 -40.08 37.04 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.309 0 C-N-CA 123.062 0.545 . . . . 0.58 112.438 179.041 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.22 -30.73 67.89 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 121.934 -0.479 . . . . 0.42 112.016 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.98 -36.71 84.85 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.24 0.543 . . . . 0.38 110.553 179.053 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.584 ' HG2' ' H ' ' A' ' 58' ' ' ILE . 28.8 mt-10 -64.59 -29.87 70.89 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-O 122.002 0.906 . . . . 1.36 110.091 179.37 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -83.43 -35.68 24.81 Favored 'General case' 0 C--N 1.299 -1.607 0 CA-C-N 114.96 -1.018 . . . . 2.09 109.968 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.7 tpm_? -76.96 -31.76 56.8 Favored 'General case' 0 N--CA 1.434 -1.262 0 CA-C-N 114.754 -1.112 . . . . 2.75 110.673 -174.188 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.537 ' CD2' HD13 ' A' ' 76' ' ' ILE . 35.2 m-85 -118.66 -0.63 11.28 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 113.208 0.818 . . . . 0.73 113.208 -175.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 22.8 t70 73.38 -11.46 0.91 Allowed 'General case' 0 N--CA 1.502 2.138 0 C-N-CA 124.25 1.02 . . . . 2.02 112.146 178.64 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.503 ' O ' ' HA ' ' A' ' 51' ' ' GLU . 6.9 p -93.24 119.86 41.69 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.081 0 CA-C-O 121.405 0.621 . . . . 1.61 110.289 -177.711 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.1 mmmp? -70.54 123.54 22.06 Favored 'General case' 0 C--N 1.303 -1.446 0 CA-C-N 115.026 -0.988 . . . . 1.67 110.289 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.584 ' H ' ' HG2' ' A' ' 51' ' ' GLU . 49.3 mt -129.99 95.68 27.8 Favored Pre-proline 0 C--N 1.292 -1.893 0 N-CA-C 106.39 -1.708 . . . . 0.49 106.39 -179.369 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -72.54 151.93 53.52 Favored 'Trans proline' 0 N--CA 1.441 -1.591 0 C-N-CA 121.308 1.339 . . . . 0.62 112.052 -178.009 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.572 ' O ' HG12 ' A' ' 63' ' ' VAL . 11.5 t70 -43.91 -35.56 2.05 Favored 'General case' 0 C--O 1.207 -1.132 0 C-N-CA 124.981 1.313 . . . . 2.0 111.782 173.681 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -60.46 -50.06 75.1 Favored 'General case' 0 C--N 1.312 -1.041 0 N-CA-C 111.945 0.35 . . . . 2.09 111.945 178.383 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -83.42 -23.56 32.28 Favored 'General case' 0 CA--C 1.492 -1.271 0 O-C-N 122.076 -0.39 . . . . 1.58 111.902 -179.107 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.602 HG21 HG22 ' A' ' 47' ' ' VAL . 1.0 OUTLIER -63.84 -22.3 30.69 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.135 0 CA-C-O 121.51 0.671 . . . . 0.69 110.867 -178.13 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.552 ' HG2' ' O ' ' A' ' 60' ' ' ASP . 72.9 mmtt -64.91 -24.22 67.46 Favored 'General case' 0 C--O 1.218 -0.567 0 CA-C-N 115.356 -0.838 . . . . 2.44 110.821 178.341 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -92.89 6.28 48.3 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 115.689 -0.687 . . . . 1.94 110.468 -177.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.7 HD13 ' HA ' ' A' ' 72' ' ' ALA . 60.5 mt -97.91 -56.63 2.44 Favored 'General case' 0 C--O 1.204 -1.327 0 CA-C-N 116.231 -0.44 . . . . 1.67 109.876 179.046 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . 0.44 0.0 OUTLIER 58.81 -28.38 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 117.681 2.474 . . . . 3.18 117.681 177.091 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 79.2 p -121.96 179.28 4.56 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.437 -0.789 . . . . 0.51 110.521 177.114 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.705 HG21 ' O ' ' A' ' 27' ' ' LYS . 4.1 m -73.85 -42.5 53.75 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.585 0 CA-C-N 114.144 -1.389 . . . . 0.35 109.461 172.068 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.417 ' N ' HG23 ' A' ' 69' ' ' VAL . . . -65.48 -42.4 95.8 Favored Glycine 0 CA--C 1.498 -0.987 0 CA-C-N 115.604 -0.725 . . . . 0.3 112.345 -178.041 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.548 ' HB2' ' O ' ' A' ' 66' ' ' LEU . 28.9 m-20 -78.26 -26.7 47.33 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 110.423 -0.214 . . . . 1.79 110.423 -179.762 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.7 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -62.1 -55.78 25.43 Favored 'General case' 0 CA--C 1.511 -0.542 0 N-CA-C 107.594 -1.261 . . . . 0.29 107.594 172.819 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.547 ' HA ' HG21 ' A' ' 7' ' ' ILE . 85.4 m -49.0 -43.8 40.64 Favored 'General case' 0 C--O 1.194 -1.867 0 C-N-CA 123.836 0.855 . . . . 0.31 111.406 171.095 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.421 ' HB3' ' HA ' ' A' ' 71' ' ' ASP . 23.4 tptm -57.07 -32.19 65.99 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 123.836 0.854 . . . . 2.93 111.281 178.841 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.468 ' HB2' ' CD2' ' A' ' 66' ' ' LEU . 55.2 t80 -75.82 -55.76 5.32 Favored 'General case' 0 C--O 1.201 -1.493 0 N-CA-C 107.652 -1.24 . . . . 0.53 107.652 178.403 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.537 HD13 ' CD2' ' A' ' 54' ' ' PHE . 61.6 mt -56.61 -52.21 56.44 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.606 0 C-N-CA 125.087 1.355 . . . . 0.27 110.983 -177.748 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 47.1 tp -50.53 -42.23 54.79 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.903 0.881 . . . . 1.15 111.432 178.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -88.99 -28.45 20.2 Favored 'General case' 0 C--N 1.295 -1.764 0 CA-C-N 115.074 -0.966 . . . . 0.67 112.022 -174.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 39.3 m-70 -102.18 5.84 40.43 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 113.657 0.984 . . . . 1.53 113.657 -174.474 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -32.03 119.51 0.27 Allowed 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 125.088 1.355 . . . . 0.89 113.433 178.388 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.429 -1.491 0 N-CA-C 108.575 -0.898 . . . . 2.36 108.575 -179.873 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.556 ' O ' HG13 ' A' ' 7' ' ' ILE . 9.3 m . . . . . 0 N--CA 1.418 -2.035 0 N-CA-C 107.411 -1.329 . . . . 1.05 107.411 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -50.38 -39.46 46.84 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 113.396 0.888 . . . . 1.25 113.396 -173.333 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -66.51 -29.99 70.21 Favored 'General case' 0 C--N 1.294 -1.814 0 CA-C-N 115.873 -0.603 . . . . 2.3 110.53 -176.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -78.02 -31.61 50.61 Favored 'General case' 0 N--CA 1.44 -0.934 0 N-CA-C 108.46 -0.941 . . . . 1.92 108.46 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.556 HG13 ' O ' ' A' ' 3' ' ' THR . 15.5 mt -73.48 -50.99 27.13 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.202 0 N-CA-C 108.293 -1.003 . . . . 0.29 108.293 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.447 HG21 HD12 ' A' ' 28' ' ' LEU . 67.9 t -57.09 -40.69 74.76 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.172 0 CA-C-N 115.886 -0.597 . . . . 0.32 110.765 176.446 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.2 -37.38 87.25 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.111 0.481 . . . . 0.32 110.09 175.792 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.17 -39.57 96.24 Favored Glycine 0 C--O 1.204 -1.723 0 N-CA-C 110.304 -1.119 . . . . 0.31 110.304 178.268 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.484 ' O ' HG23 ' A' ' 15' ' ' VAL . 96.0 mt -66.01 -44.39 84.88 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 110.017 -0.364 . . . . 0.29 110.017 175.423 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.38 -42.72 78.35 Favored 'General case' 0 C--O 1.239 0.531 0 C-N-CA 123.766 0.826 . . . . 0.24 112.053 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -65.31 -36.15 83.17 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-O 121.206 0.526 . . . . 1.46 111.771 178.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 97.0 mt -67.21 -49.06 76.09 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 CA-C-N 115.338 -0.846 . . . . 0.41 109.249 177.632 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.639 HG12 ' HB ' ' A' ' 21' ' ' ILE . 94.5 t -57.73 -42.14 81.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.693 -0.685 . . . . 0.29 110.751 178.568 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -65.2 -33.04 75.06 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-O 121.342 0.591 . . . . 0.64 111.924 -179.26 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.33 -56.79 4.31 Favored 'General case' 0 C--N 1.304 -1.408 0 CA-C-N 115.543 -0.753 . . . . 2.0 109.039 -179.694 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.848 HG22 ' HB3' ' A' ' 42' ' ' SER . 79.8 mt -79.62 -52.37 14.99 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.141 0 N-CA-C 113.164 0.801 . . . . 0.28 113.164 -172.052 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.821 ' HB2' HG13 ' A' ' 38' ' ' VAL . . . -80.94 -36.78 30.54 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 121.147 0.498 . . . . 0.34 110.592 -177.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.53 31.66 12.96 Favored Glycine 0 N--CA 1.441 -0.993 0 N-CA-C 110.405 -1.078 . . . . 0.46 110.405 -176.081 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.639 ' HB ' HG12 ' A' ' 15' ' ' VAL . 42.8 mm -110.92 132.0 21.86 Favored Pre-proline 0 C--N 1.313 -1.017 0 N-CA-C 109.815 -0.439 . . . . 0.42 109.815 -178.336 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 21' ' ' ILE . 6.7 Cg_exo -35.48 129.47 0.3 Allowed 'Trans proline' 0 N--CA 1.453 -0.863 0 C-N-CA 125.197 3.931 . . . . 0.41 114.022 174.115 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 74.5 t -60.45 -24.48 31.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 114.917 -1.038 . . . . 0.69 108.531 176.506 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -88.07 -17.75 30.39 Favored 'General case' 0 N--CA 1.421 -1.915 0 CA-C-N 114.477 -1.238 . . . . 2.34 113.122 -178.236 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -83.84 -14.28 51.63 Favored 'General case' 0 N--CA 1.486 1.337 0 CA-C-O 122.569 1.175 . . . . 0.69 108.634 -178.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.712 HG13 HG11 ' A' ' 69' ' ' VAL . 62.3 t -78.5 73.27 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.343 0 CA-C-N 113.424 -1.716 . . . . 0.4 108.939 178.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.597 ' O ' HG21 ' A' ' 69' ' ' VAL . 43.0 mmtm -85.14 159.55 20.12 Favored 'General case' 0 N--CA 1.417 -2.089 0 N-CA-C 106.45 -1.685 . . . . 1.67 106.45 175.623 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.449 ' O ' HD23 ' A' ' 28' ' ' LEU . 8.0 tt -72.64 -11.15 60.52 Favored 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 112.894 0.701 . . . . 1.08 112.894 -170.016 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -97.11 0.19 48.09 Favored 'General case' 0 C--N 1.274 -2.686 0 CA-C-N 115.564 -0.744 . . . . 2.11 109.358 -177.065 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.525 ' O ' HG22 ' A' ' 69' ' ' VAL . 45.1 mmtm -90.27 125.94 35.67 Favored 'General case' 0 C--N 1.303 -1.427 0 CA-C-O 121.744 0.783 . . . . 1.02 112.583 -172.411 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.621 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 3.3 m -92.01 112.74 24.79 Favored 'General case' 0 N--CA 1.402 -2.831 0 N-CA-C 106.606 -1.628 . . . . 1.16 106.606 174.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.621 ' HA ' HD12 ' A' ' 36' ' ' LEU . 86.5 m-85 -28.18 -84.6 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 115.056 1.502 . . . . 0.36 115.056 179.196 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.682 HG23 ' HB ' ' A' ' 38' ' ' VAL . 0.8 OUTLIER -85.37 64.26 8.55 Favored 'General case' 0 C--N 1.307 -1.278 0 N-CA-C 114.164 1.172 . . . . 0.47 114.164 -179.875 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.429 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 17.2 t70 -170.46 -51.22 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 107.565 -1.272 . . . . 0.73 107.565 177.347 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.427 ' HB3' ' HD2' ' A' ' 30' ' ' LYS . 34.5 m-20 -95.26 -55.76 2.95 Favored 'General case' 0 C--N 1.307 -1.276 0 CA-C-N 114.681 -1.145 . . . . 1.46 110.72 179.286 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.621 HD12 ' HA ' ' A' ' 32' ' ' PHE . 96.3 mt -72.86 -44.0 61.89 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 112.102 0.408 . . . . 0.58 112.102 -176.737 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.7 t70 76.24 92.45 0.07 Allowed 'General case' 0 CA--C 1.505 -0.767 0 O-C-N 124.935 1.397 . . . . 1.14 109.92 -174.464 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.821 HG13 ' HB2' ' A' ' 19' ' ' ALA . 93.4 t -96.11 -89.27 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.298 -1.666 0 CA-C-N 114.914 -1.039 . . . . 1.79 109.44 -177.677 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.736 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 14.5 t70 176.29 179.74 0.18 Allowed 'General case' 0 C--N 1.29 -2.009 0 N-CA-C 103.618 -2.734 . . . . 0.79 103.618 -179.062 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.7 t -99.36 -35.09 10.04 Favored 'General case' 0 C--N 1.26 -3.306 0 N-CA-C 108.778 -0.823 . . . . 1.23 108.778 -174.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 91.0 mt -86.88 -38.31 16.87 Favored 'General case' 0 C--N 1.31 -1.14 0 CA-C-O 122.265 1.031 . . . . 1.02 109.216 -178.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.848 ' HB3' HG22 ' A' ' 18' ' ' ILE . 46.5 m -71.14 -14.39 62.27 Favored 'General case' 0 N--CA 1.433 -1.292 0 CA-C-N 113.91 -1.496 . . . . 1.02 111.064 -177.084 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.416 ' HB2' ' HE2' ' A' ' 43' ' ' MET . 21.1 tpp -62.15 -47.36 84.86 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.73 -0.668 . . . . 0.55 110.675 177.788 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.425 ' O ' HG23 ' A' ' 48' ' ' VAL . 46.8 t -71.88 -23.07 21.81 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.4 0 CA-C-N 115.62 -0.718 . . . . 0.56 110.492 -177.287 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.617 ' HB2' HG21 ' A' ' 18' ' ' ILE . 31.5 mm-40 -69.97 -36.45 75.24 Favored 'General case' 0 N--CA 1.439 -1.006 0 N-CA-C 108.753 -0.832 . . . . 2.08 108.753 177.702 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 42' ' ' SER . 99.2 t -62.05 -46.25 96.9 Favored 'Isoleucine or valine' 0 C--N 1.339 0.12 0 N-CA-C 108.591 -0.892 . . . . 0.52 108.591 177.274 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.587 HG22 HG21 ' A' ' 63' ' ' VAL . 48.7 t -53.77 -63.4 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.571 0 CA-C-N 115.365 -0.834 . . . . 0.38 109.287 176.692 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 44' ' ' VAL . 85.4 t -44.9 -54.91 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 C-N-CA 123.954 0.902 . . . . 0.58 112.071 176.031 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.79 -35.52 80.14 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.384 0.512 . . . . 0.42 112.384 -177.489 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.0 -37.57 83.0 Favored 'General case' 0 C--O 1.243 0.73 0 CA-C-O 120.565 0.221 . . . . 0.38 110.752 178.72 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.439 ' HG2' ' H ' ' A' ' 58' ' ' ILE . 39.4 mt-10 -59.47 -43.7 93.17 Favored 'General case' 0 C--O 1.216 -0.671 0 CA-C-N 116.0 -0.545 . . . . 1.36 110.241 178.704 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -75.15 -38.24 61.03 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 116.204 -0.453 . . . . 2.09 111.348 -179.021 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.488 ' NE ' ' HA ' ' A' ' 53' ' ' ARG . 1.6 tpm_? -65.33 -35.42 80.93 Favored 'General case' 0 CA--C 1.502 -0.901 0 CA-C-O 121.149 0.5 . . . . 2.75 111.319 -170.396 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.463 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 39.3 m-85 -111.37 0.42 16.62 Favored 'General case' 0 C--N 1.291 -1.977 0 CA-C-N 115.512 -0.767 . . . . 0.73 111.038 -175.696 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.7 t70 52.94 64.64 1.78 Allowed 'General case' 0 CA--C 1.511 -0.541 0 C-N-CA 125.149 1.38 . . . . 2.02 110.3 -173.369 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.408 HG12 ' HA ' ' A' ' 80' ' ' GLN . 25.7 m -134.13 -166.89 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.284 -2.274 0 CA-C-N 114.402 -1.272 . . . . 1.61 108.185 -178.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 23.8 tptp -143.09 119.65 11.05 Favored 'General case' 0 N--CA 1.415 -2.204 0 N-CA-C 106.824 -1.547 . . . . 1.67 106.824 178.531 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.715 HD11 HG12 ' A' ' 76' ' ' ILE . 21.4 mt -141.76 96.26 6.83 Favored Pre-proline 0 C--N 1.301 -1.506 0 N-CA-C 106.258 -1.756 . . . . 0.49 106.258 -177.116 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.435 ' HD2' ' HB2' ' A' ' 62' ' ' ASP . 72.6 Cg_endo -76.95 157.27 34.63 Favored 'Trans proline' 0 N--CA 1.435 -1.929 0 C-N-CA 121.173 1.248 . . . . 0.62 111.857 -178.072 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.52 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 16.1 t70 -46.53 -26.35 0.86 Allowed 'General case' 0 C--O 1.208 -1.087 0 C-N-CA 125.441 1.496 . . . . 2.0 112.716 175.11 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -82.05 -47.4 12.67 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 112.089 0.403 . . . . 2.09 112.089 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.435 ' HB2' ' HD2' ' A' ' 59' ' ' PRO . 18.3 m-20 -78.94 -20.0 50.33 Favored 'General case' 0 CA--C 1.486 -1.497 0 O-C-N 122.185 -0.322 . . . . 1.58 111.559 -177.428 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.587 HG21 HG22 ' A' ' 47' ' ' VAL . 3.0 p -70.38 -23.08 24.35 Favored 'Isoleucine or valine' 0 C--O 1.189 -2.112 0 CA-C-N 115.567 -0.742 . . . . 0.69 110.248 -179.656 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.52 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 66.0 mttm -62.21 -2.38 0.96 Allowed 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.539 1.136 . . . . 2.44 113.729 -175.498 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -115.26 10.61 15.99 Favored 'General case' 0 C--N 1.287 -2.109 0 CA-C-O 121.692 0.758 . . . . 1.94 109.075 -176.472 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.728 HD13 ' HA ' ' A' ' 72' ' ' ALA . 38.7 mt -123.06 39.73 3.88 Favored 'General case' 0 C--O 1.216 -0.705 0 O-C-N 121.784 -0.572 . . . . 1.67 111.83 -173.446 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.73 -23.0 0.1 Allowed 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 118.2 2.667 . . . . 3.18 118.2 -176.099 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.621 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 68.3 p -110.25 167.69 10.0 Favored 'General case' 0 CA--C 1.503 -0.856 0 CA-C-N 119.239 0.927 . . . . 0.51 111.206 177.002 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.712 HG11 HG13 ' A' ' 26' ' ' VAL . 2.8 m -60.81 -42.84 93.91 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.49 0 CA-C-N 115.243 -0.889 . . . . 0.35 109.318 171.373 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -59.4 -45.79 94.92 Favored Glycine 0 N--CA 1.433 -1.509 0 CA-C-N 115.414 -0.812 . . . . 0.3 112.276 175.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.524 ' HB3' ' HA ' ' A' ' 66' ' ' LEU . 9.8 m-20 -65.85 -38.23 88.3 Favored 'General case' 0 CA--C 1.502 -0.901 0 CA-C-N 117.212 0.506 . . . . 1.79 110.969 -178.611 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.728 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -59.99 -58.68 7.51 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 108.995 -0.743 . . . . 0.29 108.995 175.495 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.51 HG23 ' HB ' ' A' ' 7' ' ' ILE . 93.1 m -48.55 -46.3 38.68 Favored 'General case' 0 C--O 1.205 -1.261 0 C-N-CA 124.51 1.124 . . . . 0.31 111.954 174.632 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.454 ' HD3' ' HA ' ' A' ' 71' ' ' ASP . 82.2 tttt -53.96 -33.02 55.73 Favored 'General case' 0 C--N 1.297 -1.7 0 C-N-CA 126.63 1.972 . . . . 2.93 111.294 177.497 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.426 ' HB2' ' CD2' ' A' ' 66' ' ' LEU . 65.1 t80 -85.41 -47.82 9.6 Favored 'General case' 0 C--O 1.203 -1.366 0 N-CA-C 108.369 -0.975 . . . . 0.53 108.369 178.254 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.715 HG12 HD11 ' A' ' 58' ' ' ILE . 76.9 mt -60.27 -50.3 80.82 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.442 0 C-N-CA 124.701 1.2 . . . . 0.27 111.385 -177.402 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.1 tt -54.05 -35.83 62.42 Favored 'General case' 0 N--CA 1.482 1.143 0 CA-C-O 121.167 0.508 . . . . 1.15 109.99 178.735 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -83.03 -38.56 22.4 Favored 'General case' 0 C--N 1.298 -1.657 0 CA-C-N 114.821 -1.082 . . . . 0.67 111.577 -178.679 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 39.2 m-70 -91.78 5.7 48.87 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 114.676 1.362 . . . . 1.53 114.676 -175.473 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.408 ' HA ' HG12 ' A' ' 56' ' ' VAL . 13.1 mm100 -44.19 145.07 0.83 Allowed 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.667 0.787 . . . . 0.89 111.148 173.736 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -0.897 0 N-CA-C 109.291 -0.633 . . . . 2.36 109.291 178.198 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.535 ' O ' HG13 ' A' ' 7' ' ' ILE . 1.9 m . . . . . 0 N--CA 1.426 -1.631 0 N-CA-C 107.457 -1.312 . . . . 1.05 107.457 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -53.94 -37.08 63.5 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 112.341 0.497 . . . . 1.25 112.341 -174.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -68.58 -29.04 67.49 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-N 115.782 -0.645 . . . . 2.3 110.161 -177.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -72.15 -34.08 68.24 Favored 'General case' 0 C--N 1.314 -0.968 0 N-CA-C 108.141 -1.059 . . . . 1.92 108.141 -179.351 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.714 ' HB ' HG23 ' A' ' 73' ' ' THR . 15.4 mt -72.66 -52.58 22.44 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.597 0 CA-C-N 114.425 -1.261 . . . . 0.29 107.801 179.565 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.3 t -52.72 -43.23 43.97 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.822 0 CA-C-N 115.606 -0.724 . . . . 0.32 110.733 176.017 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.44 -39.38 93.71 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 122.618 0.367 . . . . 0.32 111.135 177.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.26 -42.29 97.91 Favored Glycine 0 N--CA 1.438 -1.188 0 N-CA-C 110.096 -1.202 . . . . 0.31 110.096 178.03 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.504 ' HA ' HD12 ' A' ' 14' ' ' ILE . 89.4 mt -65.37 -43.65 90.11 Favored 'General case' 0 C--N 1.309 -1.156 0 N-CA-C 110.179 -0.304 . . . . 0.29 110.179 176.279 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.432 ' HA ' HG11 ' A' ' 26' ' ' VAL . . . -55.11 -43.09 73.74 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 123.886 0.875 . . . . 0.24 111.809 -179.339 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -69.1 -35.57 76.59 Favored 'General case' 0 C--O 1.24 0.598 0 C-N-CA 119.771 -0.772 . . . . 1.46 112.884 178.788 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.504 HD12 ' HA ' ' A' ' 11' ' ' LEU . 93.6 mt -62.45 -51.61 70.14 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.133 0 N-CA-C 108.479 -0.934 . . . . 0.41 108.479 175.713 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.654 HG12 ' HB ' ' A' ' 21' ' ' ILE . 94.2 t -61.1 -42.62 93.93 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.065 0 CA-C-N 114.912 -1.04 . . . . 0.29 110.816 179.722 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.406 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 4.4 t-20 -60.36 -33.65 72.74 Favored 'General case' 0 C--N 1.309 -1.161 0 CA-C-O 121.386 0.613 . . . . 0.64 110.411 179.405 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -79.33 -64.33 1.21 Allowed 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 115.269 -0.878 . . . . 2.0 111.542 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.511 HG21 ' HB2' ' A' ' 45' ' ' GLU . 81.3 mt -74.17 -52.25 20.91 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.204 0 CA-C-N 115.864 -0.607 . . . . 0.28 111.559 -173.323 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.564 ' HA ' HG21 ' A' ' 38' ' ' VAL . . . -78.21 -37.74 44.79 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-N 115.909 -0.587 . . . . 0.34 111.411 -176.184 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.26 32.61 22.44 Favored Glycine 0 C--O 1.242 0.622 0 N-CA-C 110.546 -1.021 . . . . 0.46 110.546 -177.234 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.654 ' HB ' HG12 ' A' ' 15' ' ' VAL . 49.3 mm -112.31 131.2 22.69 Favored Pre-proline 0 C--N 1.31 -1.116 0 N-CA-C 108.628 -0.878 . . . . 0.42 108.628 -179.412 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.458 ' HD2' ' HA ' ' A' ' 21' ' ' ILE . 2.7 Cg_exo -35.13 128.3 0.25 Allowed 'Trans proline' 0 C--O 1.237 0.467 1 C-N-CA 125.83 4.353 . . . . 0.41 115.282 175.807 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.425 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 92.6 t -56.6 -32.89 38.42 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.458 0 C-N-CA 124.575 1.15 . . . . 0.69 108.505 176.09 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.256 0.8 OUTLIER -85.55 -24.07 27.4 Favored 'General case' 0 N--CA 1.421 -1.906 0 CA-C-N 115.099 -0.955 . . . . 2.34 113.543 -177.385 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.55 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 28.3 t0 -81.57 -16.53 51.33 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-O 121.967 0.889 . . . . 0.69 109.094 178.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.687 HG13 HG11 ' A' ' 69' ' ' VAL . 54.7 t -76.86 78.55 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.323 0 CA-C-O 122.798 1.285 . . . . 0.4 107.792 172.707 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 58.0 mttp -85.21 -137.79 0.07 Allowed 'General case' 0 C--N 1.298 -1.663 0 CA-C-N 112.443 -2.162 . . . . 1.67 108.499 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.45 ' HA ' HG23 ' A' ' 69' ' ' VAL . 7.0 tt -121.85 -19.76 6.62 Favored 'General case' 0 C--N 1.309 -1.179 0 C-N-CA 119.738 -0.785 . . . . 1.08 110.858 -179.577 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -91.29 -1.07 57.74 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-O 123.001 1.381 . . . . 2.11 109.852 -178.129 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.638 ' O ' HG22 ' A' ' 69' ' ' VAL . 72.2 mmtt -85.31 110.0 18.77 Favored 'General case' 0 C--N 1.292 -1.916 0 N-CA-C 114.504 1.298 . . . . 1.02 114.504 -172.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.574 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 2.7 m -75.44 110.27 9.66 Favored 'General case' 0 N--CA 1.411 -2.385 0 N-CA-C 107.462 -1.31 . . . . 1.16 107.462 171.221 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.681 ' HA ' HD12 ' A' ' 36' ' ' LEU . 92.4 m-85 -36.52 -80.78 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.39 0 N-CA-C 114.104 1.15 . . . . 0.36 114.104 178.252 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.72 40.31 0.67 Allowed 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 114.857 1.429 . . . . 0.47 114.857 -179.614 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -155.24 -46.4 0.08 Allowed 'General case' 0 C--N 1.317 -0.813 0 C-N-CA 120.119 -0.632 . . . . 0.73 112.221 179.52 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -96.04 -50.51 4.82 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.078 -1.082 . . . . 1.46 108.078 178.125 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.681 HD12 ' HA ' ' A' ' 32' ' ' PHE . 96.8 mt -68.89 -49.09 61.19 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 109.056 -0.72 . . . . 0.58 109.056 177.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.0 t70 70.27 81.99 0.16 Allowed 'General case' 0 CA--C 1.508 -0.669 0 C-N-CA 124.685 1.194 . . . . 1.14 112.826 174.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.624 HG13 ' H ' ' A' ' 39' ' ' ASP . 1.4 p -93.03 -87.29 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.297 -1.674 0 CA-C-N 115.481 -0.781 . . . . 1.79 109.625 173.192 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.624 ' H ' HG13 ' A' ' 38' ' ' VAL . 11.8 t70 -173.63 173.5 3.37 Favored 'General case' 0 N--CA 1.425 -1.718 0 N-CA-C 105.123 -2.177 . . . . 0.79 105.123 177.666 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 38.5 t -85.67 -26.12 26.15 Favored 'General case' 0 C--N 1.257 -3.428 0 C-N-CA 124.113 0.965 . . . . 1.23 110.59 -171.233 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 56.4 mt -80.97 -43.02 20.3 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-O 120.964 0.411 . . . . 1.02 111.829 -175.122 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -66.82 -22.03 66.02 Favored 'General case' 0 C--N 1.311 -1.104 0 C-N-CA 123.925 0.89 . . . . 1.02 110.414 -175.467 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.425 ' O ' HG23 ' A' ' 47' ' ' VAL . 25.0 tpp -56.47 -41.05 75.9 Favored 'General case' 0 N--CA 1.441 -0.891 0 CA-C-N 114.684 -1.144 . . . . 0.55 113.067 -177.724 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 48.9 t -68.83 -29.21 42.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 C-N-CA 120.842 -0.343 . . . . 0.56 110.698 -177.174 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.511 ' HB2' HG21 ' A' ' 18' ' ' ILE . 19.0 mm-40 -72.99 -34.25 66.31 Favored 'General case' 0 N--CA 1.426 -1.628 0 N-CA-C 109.316 -0.624 . . . . 2.08 109.316 179.536 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 66.4 t -61.85 -47.03 95.14 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.239 0 N-CA-C 108.484 -0.932 . . . . 0.52 108.484 176.171 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.659 HG13 HG21 ' A' ' 63' ' ' VAL . 90.3 t -55.34 -64.4 0.47 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 O-C-N 123.914 0.759 . . . . 0.38 109.691 176.609 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.496 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 89.6 t -51.23 -42.62 26.71 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.229 0 C-N-CA 123.523 0.729 . . . . 0.58 112.945 178.647 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.33 -38.91 82.0 Favored 'General case' 0 C--N 1.318 -0.765 0 O-C-N 121.801 -0.562 . . . . 0.42 111.367 178.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.6 -36.18 79.97 Favored 'General case' 0 C--O 1.247 0.949 0 CA-C-O 120.785 0.326 . . . . 0.38 110.21 178.515 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.662 ' HG2' ' H ' ' A' ' 58' ' ' ILE . 54.3 mt-10 -53.56 -55.76 22.83 Favored 'General case' 0 N--CA 1.441 -0.877 0 CA-C-N 115.24 -0.891 . . . . 1.36 109.939 176.759 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -71.36 -35.41 71.12 Favored 'General case' 0 C--N 1.321 -0.668 0 O-C-N 123.835 0.709 . . . . 2.09 111.921 -178.189 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.2 tpp85 -64.83 -34.15 77.69 Favored 'General case' 0 CA--C 1.503 -0.839 0 CA-C-O 121.544 0.688 . . . . 2.75 110.812 -169.125 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.458 ' CD2' HD13 ' A' ' 76' ' ' ILE . 50.9 m-85 -115.9 -2.16 12.4 Favored 'General case' 0 C--N 1.296 -1.761 0 CA-C-N 115.036 -0.984 . . . . 0.73 110.001 -179.264 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.7 t0 56.88 23.35 8.05 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 125.323 1.449 . . . . 2.02 110.382 -176.34 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.467 HG13 HG13 ' A' ' 58' ' ' ILE . 6.6 p -81.63 -27.9 10.05 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.076 0 CA-C-N 114.42 -1.263 . . . . 1.61 111.331 -173.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 24.4 tptp 56.53 86.99 0.06 Allowed 'General case' 0 C--O 1.249 1.066 0 C-N-CA 124.782 1.233 . . . . 1.67 111.791 -177.552 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.662 ' H ' ' HG2' ' A' ' 51' ' ' GLU . 25.2 mt -105.25 103.7 43.63 Favored Pre-proline 0 C--N 1.314 -0.94 0 N-CA-C 107.824 -1.176 . . . . 0.49 107.824 178.415 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -68.34 149.19 75.16 Favored 'Trans proline' 0 C--O 1.262 1.703 0 C-N-CA 121.033 1.155 . . . . 0.62 110.23 178.321 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.435 ' HA ' ' HB ' ' A' ' 63' ' ' VAL . 4.7 p-10 -49.37 -27.04 3.62 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.05 0.54 . . . . 2.0 111.633 176.494 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -56.4 -53.39 57.95 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.364 1.066 . . . . 2.09 112.256 175.39 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -74.87 -26.22 59.52 Favored 'General case' 0 N--CA 1.492 1.658 0 CA-C-O 121.77 0.795 . . . . 1.58 110.479 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.659 HG21 HG13 ' A' ' 47' ' ' VAL . 3.2 t -60.44 -23.03 26.97 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.623 0 CA-C-N 114.622 -1.172 . . . . 0.69 111.632 175.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -69.86 -8.67 50.43 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-O 120.904 0.383 . . . . 2.44 111.399 178.424 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -108.66 -14.94 14.52 Favored 'General case' 0 C--N 1.315 -0.931 0 N-CA-C 108.181 -1.044 . . . . 1.94 108.181 -178.275 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.77 ' HA ' ' OD2' ' A' ' 71' ' ' ASP . 52.0 mt -91.74 140.77 29.37 Favored 'General case' 0 N--CA 1.428 -1.543 0 N-CA-C 106.608 -1.626 . . . . 1.67 106.608 178.384 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.98 -21.87 0.95 Allowed 'General case' 0 C--N 1.267 -3.012 0 N-CA-C 113.152 0.797 . . . . 3.18 113.152 178.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.574 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 19.1 p -117.99 165.94 13.11 Favored 'General case' 0 N--CA 1.431 -1.399 0 C-N-CA 119.995 -0.682 . . . . 0.51 111.263 178.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.687 HG11 HG13 ' A' ' 26' ' ' VAL . 2.1 m -58.46 -44.34 88.7 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.238 0 CA-C-N 114.9 -1.046 . . . . 0.35 110.473 173.501 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -70.54 -31.96 67.9 Favored Glycine 0 N--CA 1.43 -1.764 0 CA-C-N 115.879 -0.6 . . . . 0.3 112.252 179.691 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.77 ' OD2' ' HA ' ' A' ' 66' ' ' LEU . 34.9 t0 -69.44 -43.92 72.35 Favored 'General case' 0 CA--C 1.512 -0.506 0 N-CA-C 108.902 -0.777 . . . . 1.79 108.902 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.534 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -57.43 -56.06 26.73 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 115.428 -0.805 . . . . 0.29 108.859 175.795 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.714 HG23 ' HB ' ' A' ' 7' ' ' ILE . 54.8 m -47.64 -47.34 29.25 Favored 'General case' 0 C--O 1.195 -1.788 0 C-N-CA 124.235 1.014 . . . . 0.31 112.367 173.549 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.403 ' HD2' HD23 ' A' ' 77' ' ' LEU . 20.2 tptm -60.79 -36.78 79.86 Favored 'General case' 0 C--N 1.318 -0.768 0 C-N-CA 122.767 0.427 . . . . 2.93 110.988 -178.247 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.469 ' HB2' HD21 ' A' ' 66' ' ' LEU . 67.1 t80 -70.04 -41.62 73.99 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.114 -0.699 . . . . 0.53 109.114 178.275 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.658 HG12 HD11 ' A' ' 58' ' ' ILE . 66.2 mt -67.44 -44.44 86.85 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.643 0 CA-C-N 115.42 -0.809 . . . . 0.27 109.364 179.754 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.403 HD23 ' HD2' ' A' ' 74' ' ' LYS . 42.8 tp -50.05 -40.11 44.12 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 124.828 1.251 . . . . 1.15 110.02 176.125 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -83.51 -37.67 22.78 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-N 114.693 -1.14 . . . . 0.67 111.689 -177.451 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -94.65 5.5 51.67 Favored 'General case' 0 C--N 1.308 -1.2 0 N-CA-C 115.061 1.504 . . . . 1.53 115.061 -174.652 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 13.0 mm100 -37.79 134.09 0.76 Allowed 'General case' 0 N--CA 1.493 1.676 0 C-N-CA 124.775 1.23 . . . . 0.89 113.631 179.36 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.434 -1.242 0 N-CA-C 108.509 -0.923 . . . . 2.36 108.509 177.723 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.5 m . . . . . 0 N--CA 1.414 -2.24 0 N-CA-C 106.521 -1.659 . . . . 1.05 106.521 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.619 ' HA ' HD12 ' A' ' 7' ' ' ILE . 24.6 mt-30 -52.07 -25.9 9.76 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 113.402 0.89 . . . . 1.25 113.402 -177.302 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -64.62 -38.75 92.07 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 116.028 -0.533 . . . . 2.3 109.695 177.392 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -81.81 -25.16 35.44 Favored 'General case' 0 N--CA 1.429 -1.505 0 CA-C-N 115.886 -0.597 . . . . 1.92 110.053 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.619 HD12 ' HA ' ' A' ' 4' ' ' GLN . 49.8 mt -66.42 -59.58 3.74 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.902 0 N-CA-C 108.021 -1.103 . . . . 0.29 108.021 176.332 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.558 HG21 HD12 ' A' ' 28' ' ' LEU . 98.0 t -55.65 -37.33 45.85 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.852 0 CA-C-N 116.268 -0.424 . . . . 0.32 110.615 175.662 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.07 -42.81 96.87 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 120.883 0.373 . . . . 0.32 110.361 177.22 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . 0.43 ' HA2' ' HG2' ' A' ' 13' ' ' GLU . . . -62.69 -43.84 98.38 Favored Glycine 0 C--O 1.211 -1.294 0 N-CA-C 110.64 -0.984 . . . . 0.31 110.64 177.013 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.464 ' O ' HG23 ' A' ' 15' ' ' VAL . 85.4 mt -58.36 -47.28 84.31 Favored 'General case' 0 N--CA 1.435 -1.214 0 N-CA-C 110.076 -0.342 . . . . 0.29 110.076 176.028 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.93 -44.56 86.99 Favored 'General case' 0 C--N 1.319 -0.737 0 C-N-CA 123.851 0.86 . . . . 0.24 112.055 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.43 ' HG2' ' HA2' ' A' ' 10' ' ' GLY . 13.1 pt-20 -67.12 -38.13 85.08 Favored 'General case' 0 C--O 1.243 0.752 0 C-N-CA 120.748 -0.381 . . . . 1.46 111.555 -179.29 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 90.9 mt -64.41 -47.17 90.59 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.15 0 CA-C-N 115.572 -0.74 . . . . 0.41 109.503 176.628 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 11' ' ' LEU . 77.3 t -57.12 -44.42 83.19 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.626 0 CA-C-N 116.051 -0.522 . . . . 0.29 110.646 176.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -63.82 -33.77 76.42 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 122.178 -0.326 . . . . 0.64 111.711 -179.467 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -79.89 -41.66 25.74 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 116.258 -0.428 . . . . 2.0 112.036 -179.501 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.806 HG22 ' HB3' ' A' ' 42' ' ' SER . 79.2 mt -92.26 -53.32 8.83 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.938 0 O-C-N 122.116 -0.365 . . . . 0.28 111.979 -177.129 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.781 ' HB2' HG13 ' A' ' 38' ' ' VAL . . . -75.57 -39.08 58.65 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.079 0.466 . . . . 0.34 110.181 -178.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 92.58 16.46 49.06 Favored Glycine 0 C--O 1.239 0.44 0 CA-C-N 115.385 -0.825 . . . . 0.46 111.187 -178.75 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.465 ' HA ' ' HD2' ' A' ' 22' ' ' PRO . 49.3 mm -99.68 135.46 20.55 Favored Pre-proline 0 C--N 1.312 -1.055 0 CA-C-N 115.212 -0.494 . . . . 0.42 109.907 -176.284 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.465 ' HD2' ' HA ' ' A' ' 21' ' ' ILE . 3.9 Cg_exo -34.8 128.12 0.22 Allowed 'Trans proline' 0 C--N 1.354 0.848 1 C-N-CA 125.444 4.096 . . . . 0.41 115.136 175.377 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 87.8 t -60.58 -32.91 52.72 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.497 0 CA-C-N 114.151 -1.386 . . . . 0.69 107.347 177.47 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.492 ' O ' ' HE2' ' A' ' 27' ' ' LYS . 43.8 mt-10 -92.67 5.25 51.71 Favored 'General case' 0 N--CA 1.411 -2.375 0 CA-C-N 113.49 -1.686 . . . . 2.34 112.863 -173.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.418 ' O ' ' HE3' ' A' ' 30' ' ' LYS . 33.2 t70 -102.04 -12.75 17.91 Favored 'General case' 0 C--N 1.311 -1.07 0 N-CA-C 107.379 -1.341 . . . . 0.69 107.379 171.699 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.462 HG22 HD13 ' A' ' 36' ' ' LEU . 89.3 t -80.09 72.13 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.904 0 CA-C-O 122.839 1.304 . . . . 0.4 108.985 178.812 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.719 ' O ' HG21 ' A' ' 69' ' ' VAL . 76.0 mmtt -84.3 168.29 15.79 Favored 'General case' 0 N--CA 1.417 -2.099 0 CA-C-N 113.468 -1.696 . . . . 1.67 107.27 176.699 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.558 HD12 HG21 ' A' ' 8' ' ' VAL . 7.5 tt -80.89 -4.4 54.72 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 113.129 0.788 . . . . 1.08 113.129 -169.725 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.0 p-10 -110.69 18.03 20.06 Favored 'General case' 0 C--N 1.275 -2.668 0 CA-C-O 121.813 0.815 . . . . 2.11 108.823 -179.371 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.582 ' O ' HG22 ' A' ' 69' ' ' VAL . 72.6 mmtt -97.7 141.98 30.05 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.284 -0.871 . . . . 1.02 112.263 -178.473 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.1 t -102.15 118.17 36.33 Favored 'General case' 0 C--N 1.294 -1.812 0 N-CA-C 107.347 -1.353 . . . . 1.16 107.347 170.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.754 ' HA ' HD12 ' A' ' 36' ' ' LEU . 93.0 m-85 -34.22 -82.63 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 114.137 1.162 . . . . 0.36 114.137 175.335 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.595 HG23 ' HB ' ' A' ' 38' ' ' VAL . 0.4 OUTLIER -80.0 49.41 1.08 Allowed 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 115.407 1.632 . . . . 0.47 115.407 -178.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -161.12 -64.59 0.06 Allowed 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 116.01 -0.541 . . . . 0.73 109.685 177.395 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -77.8 -46.3 21.98 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 115.642 -0.708 . . . . 1.46 110.631 -179.292 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.754 HD12 ' HA ' ' A' ' 32' ' ' PHE . 84.1 mt -80.85 -47.13 14.23 Favored 'General case' 0 C--N 1.31 -1.144 0 CA-C-N 115.576 -0.738 . . . . 0.58 109.91 -179.352 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.7 t70 78.34 90.09 0.06 Allowed 'General case' 0 CA--C 1.506 -0.741 0 C-N-CA 126.435 1.894 . . . . 1.14 110.057 -177.685 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.781 HG13 ' HB2' ' A' ' 19' ' ' ALA . 94.2 t -92.19 -92.08 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.297 -1.696 0 CA-C-N 114.489 -1.232 . . . . 1.79 109.012 -177.525 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.498 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 10.9 t70 171.27 175.27 0.07 Allowed 'General case' 0 C--N 1.294 -1.815 0 N-CA-C 103.371 -2.826 . . . . 0.79 103.371 -178.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.8 t -95.4 -32.0 13.13 Favored 'General case' 0 C--N 1.268 -2.967 0 N-CA-C 108.388 -0.967 . . . . 1.23 108.388 -176.03 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 83.9 mt -83.9 -36.92 23.0 Favored 'General case' 0 C--N 1.306 -1.307 0 N-CA-C 108.734 -0.839 . . . . 1.02 108.734 -178.766 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.806 ' HB3' HG22 ' A' ' 18' ' ' ILE . 19.3 m -70.86 -28.19 64.39 Favored 'General case' 0 N--CA 1.43 -1.46 0 CA-C-N 114.433 -1.258 . . . . 1.02 110.199 -178.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.488 ' O ' HG23 ' A' ' 47' ' ' VAL . 26.6 tpp -56.5 -48.71 76.6 Favored 'General case' 0 CA--C 1.511 -0.535 0 O-C-N 123.473 0.483 . . . . 0.55 110.589 178.458 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 44.2 t -61.87 -33.18 56.7 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.726 0 CA-C-N 115.077 -0.965 . . . . 0.56 110.202 -178.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -74.13 -35.09 64.07 Favored 'General case' 0 N--CA 1.425 -1.723 0 N-CA-C 109.317 -0.623 . . . . 2.08 109.317 -178.377 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 42' ' ' SER . 77.3 t -63.69 -46.24 95.19 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 N-CA-C 108.598 -0.89 . . . . 0.52 108.598 176.143 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.662 HG22 HG21 ' A' ' 63' ' ' VAL . 88.7 t -53.75 -61.83 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 115.833 -0.621 . . . . 0.38 109.424 176.338 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 76.1 t -49.42 -44.55 18.4 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.303 0 C-N-CA 123.128 0.571 . . . . 0.58 112.134 175.37 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.87 -29.26 69.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 122.071 -0.393 . . . . 0.42 112.008 -178.667 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.54 -37.45 86.75 Favored 'General case' 0 C--O 1.24 0.556 0 N-CA-C 109.698 -0.482 . . . . 0.38 109.698 177.236 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.622 ' HG2' ' H ' ' A' ' 58' ' ' ILE . 36.5 mt-10 -64.29 -40.31 95.7 Favored 'General case' 0 CA--C 1.506 -0.735 0 CA-C-O 121.865 0.841 . . . . 1.36 109.475 177.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -76.5 -27.65 56.13 Favored 'General case' 0 C--N 1.298 -1.658 0 CA-C-N 114.784 -1.098 . . . . 2.09 111.258 -176.285 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.9 tpm_? -88.04 -47.07 8.8 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-O 120.826 0.346 . . . . 2.75 110.846 -177.017 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.566 ' HB2' HG12 ' A' ' 56' ' ' VAL . 20.1 m-85 -97.0 -9.54 28.0 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 112.409 0.522 . . . . 0.73 112.409 -173.179 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.3 t70 73.2 8.46 5.29 Favored 'General case' 0 N--CA 1.491 1.613 0 C-N-CA 125.137 1.375 . . . . 2.02 111.807 178.32 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.566 HG12 ' HB2' ' A' ' 54' ' ' PHE . 7.4 p -98.66 131.25 46.19 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.397 0 CA-C-N 115.444 -0.798 . . . . 1.61 109.839 179.259 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -77.25 113.22 14.78 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-N 116.049 -0.523 . . . . 1.67 111.032 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.69 HD11 HG12 ' A' ' 76' ' ' ILE . 30.4 mt -129.86 100.34 19.33 Favored Pre-proline 0 C--N 1.305 -1.351 0 N-CA-C 107.057 -1.46 . . . . 0.49 107.057 179.188 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -88.14 161.37 7.15 Favored 'Trans proline' 0 N--CA 1.435 -1.955 0 C-N-CA 121.371 1.381 . . . . 0.62 111.557 178.054 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.613 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 3.9 t70 -48.49 -33.18 9.0 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.498 0.719 . . . . 2.0 111.75 173.082 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -54.06 -50.15 67.41 Favored 'General case' 0 C--N 1.317 -0.845 0 C-N-CA 123.232 0.613 . . . . 2.09 110.952 177.545 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -85.37 -30.83 23.33 Favored 'General case' 0 CA--C 1.483 -1.628 0 CA-C-N 115.681 -0.69 . . . . 1.58 111.508 -176.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.662 HG21 HG22 ' A' ' 47' ' ' VAL . 0.4 OUTLIER -59.19 -22.91 23.3 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.162 0 O-C-N 123.795 0.684 . . . . 0.69 111.641 -175.616 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.613 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 60.8 mttm -67.75 -8.46 35.72 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.612 -0.722 . . . . 2.44 112.74 -179.125 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 -102.44 1.73 35.63 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 122.971 0.508 . . . . 1.94 110.577 -178.069 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.763 HD13 ' HA ' ' A' ' 72' ' ' ALA . 71.4 mt -97.99 -65.69 0.95 Allowed 'General case' 0 C--N 1.311 -1.066 0 C-N-CA 120.296 -0.562 . . . . 1.67 112.262 -173.601 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . 0.465 0.0 OUTLIER 61.42 -22.14 0.04 OUTLIER 'General case' 0 N--CA 1.505 2.304 0 N-CA-C 117.95 2.574 . . . . 3.18 117.95 179.409 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -128.33 157.18 41.7 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 121.793 -0.567 . . . . 0.51 111.529 175.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.719 HG21 ' O ' ' A' ' 27' ' ' LYS . 6.9 m -57.4 -51.45 69.5 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 C-N-CA 123.658 0.783 . . . . 0.35 112.585 -178.227 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.461 ' H ' HG23 ' A' ' 69' ' ' VAL . . . -61.6 -33.99 86.94 Favored Glycine 0 C--O 1.211 -1.294 0 N-CA-C 112.312 -0.315 . . . . 0.3 112.312 179.235 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -73.71 -37.31 65.2 Favored 'General case' 0 C--N 1.312 -1.057 0 C-N-CA 122.024 0.13 . . . . 1.79 110.733 179.52 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.763 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -58.96 -55.92 28.92 Favored 'General case' 0 CA--C 1.517 -0.318 0 N-CA-C 107.945 -1.131 . . . . 0.29 107.945 173.334 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.419 HG23 ' HB ' ' A' ' 7' ' ' ILE . 87.3 m -48.62 -42.14 33.16 Favored 'General case' 0 C--O 1.208 -1.123 0 C-N-CA 125.162 1.385 . . . . 0.31 112.129 173.065 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 45.8 tptt -60.69 -38.02 83.57 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 122.924 0.49 . . . . 2.93 110.519 -179.072 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -72.56 -44.79 61.62 Favored 'General case' 0 C--O 1.214 -0.795 0 N-CA-C 108.003 -1.11 . . . . 0.53 108.003 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.69 HG12 HD11 ' A' ' 58' ' ' ILE . 80.2 mt -59.55 -50.93 78.1 Favored 'Isoleucine or valine' 0 C--O 1.194 -1.826 0 C-N-CA 124.678 1.191 . . . . 0.27 110.051 178.854 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.482 ' HA ' ' HG2' ' A' ' 80' ' ' GLN . 3.3 tm? -59.49 -34.35 72.47 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.083 0.468 . . . . 1.15 110.796 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -79.6 -39.47 31.58 Favored 'General case' 0 C--N 1.289 -2.059 0 CA-C-O 121.738 0.78 . . . . 0.67 110.934 -179.181 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -90.82 5.22 49.3 Favored 'General case' 0 C--N 1.296 -1.733 0 CA-C-N 114.778 -1.101 . . . . 1.53 113.017 -176.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.482 ' HG2' ' HA ' ' A' ' 77' ' ' LEU . 8.3 mm100 -36.97 127.67 0.9 Allowed 'General case' 0 C--O 1.244 0.785 0 N-CA-C 115.661 1.726 . . . . 0.89 115.661 178.716 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.414 -2.228 0 N-CA-C 106.902 -1.518 . . . . 2.36 106.902 173.036 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.604 ' O ' HG13 ' A' ' 7' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.419 -2.009 0 N-CA-C 108.879 -0.785 . . . . 1.05 108.879 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -52.45 -34.0 46.82 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.391 0.677 . . . . 1.25 112.185 -175.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -71.42 -32.11 68.01 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.641 -0.709 . . . . 2.3 109.63 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -78.8 -30.42 45.46 Favored 'General case' 0 C--N 1.306 -1.304 0 CA-C-N 114.903 -1.044 . . . . 1.92 108.987 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.604 HG13 ' O ' ' A' ' 3' ' ' THR . 38.7 mt -67.66 -55.76 15.79 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.295 0 N-CA-C 108.167 -1.049 . . . . 0.29 108.167 176.096 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.441 HG21 HD12 ' A' ' 28' ' ' LEU . 71.9 t -57.31 -35.02 47.48 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.142 0 CA-C-N 116.362 -0.381 . . . . 0.32 111.197 176.699 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.12 -39.05 75.7 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-O 121.012 0.434 . . . . 0.32 110.046 177.45 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.81 -44.47 94.69 Favored Glycine 0 CA--C 1.49 -1.469 0 N-CA-C 110.12 -1.192 . . . . 0.31 110.12 178.192 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.524 ' O ' HG23 ' A' ' 15' ' ' VAL . 92.1 mt -58.98 -43.41 91.38 Favored 'General case' 0 C--N 1.308 -1.23 0 N-CA-C 110.35 -0.241 . . . . 0.29 110.35 175.584 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.6 ' HA ' HG11 ' A' ' 26' ' ' VAL . . . -58.64 -43.31 89.72 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 123.059 0.544 . . . . 0.24 112.212 179.433 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -68.2 -37.23 80.69 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.3 -0.56 . . . . 1.46 111.562 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.407 HD12 ' HA ' ' A' ' 11' ' ' LEU . 89.6 mt -61.25 -46.36 96.78 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 CA-C-N 115.493 -0.776 . . . . 0.41 109.16 174.416 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 11' ' ' LEU . 77.9 t -60.66 -45.58 97.23 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.174 0 CA-C-N 115.713 -0.676 . . . . 0.29 111.05 178.647 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -65.07 -32.74 74.6 Favored 'General case' 0 C--N 1.303 -1.42 0 CA-C-O 121.349 0.595 . . . . 0.64 111.079 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -70.58 -54.32 12.52 Favored 'General case' 0 C--N 1.304 -1.384 0 C-N-CA 123.761 0.825 . . . . 2.0 111.562 177.042 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.682 HG21 ' HB2' ' A' ' 45' ' ' GLU . 66.2 mt -91.23 -52.87 9.66 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.914 0 N-CA-C 112.736 0.643 . . . . 0.28 112.736 -173.199 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.447 ' CB ' HG13 ' A' ' 38' ' ' VAL . . . -73.38 -43.12 61.25 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.442 0.639 . . . . 0.34 109.564 -179.264 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 90.73 37.59 6.41 Favored Glycine 0 N--CA 1.443 -0.873 0 CA-C-N 115.134 -0.939 . . . . 0.46 110.845 -178.606 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.448 ' HA ' ' HD2' ' A' ' 22' ' ' PRO . 47.6 mm -116.82 137.68 23.96 Favored Pre-proline 0 C--N 1.318 -0.779 0 N-CA-C 109.001 -0.74 . . . . 0.42 109.001 -177.445 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.479 ' O ' HG23 ' A' ' 26' ' ' VAL . 6.5 Cg_exo -33.04 128.69 0.12 Allowed 'Trans proline' 0 C--N 1.364 1.387 1 C-N-CA 125.482 4.121 . . . . 0.41 114.818 175.001 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.4 t -67.27 -5.74 4.07 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 CA-C-O 122.683 1.23 . . . . 0.69 109.488 -179.141 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -110.24 -9.4 14.67 Favored 'General case' 0 N--CA 1.407 -2.59 0 CA-C-N 114.933 -1.031 . . . . 2.34 112.017 -177.015 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.422 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 13.7 t70 -92.68 -17.63 24.03 Favored 'General case' 0 CA--C 1.496 -1.105 0 N-CA-C 107.736 -1.209 . . . . 0.69 107.736 179.174 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.6 HG11 ' HA ' ' A' ' 12' ' ' ALA . 25.0 t -82.96 61.6 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.313 -1.004 0 CA-C-N 114.321 -1.309 . . . . 0.4 108.959 -178.589 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.64 ' O ' HG21 ' A' ' 69' ' ' VAL . 28.6 pttt -91.76 172.42 8.49 Favored 'General case' 0 N--CA 1.422 -1.864 0 CA-C-N 114.071 -1.422 . . . . 1.67 108.081 176.084 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.609 ' HA ' HG23 ' A' ' 69' ' ' VAL . 3.3 tt -68.85 -2.46 9.63 Favored 'General case' 0 CA--C 1.555 1.17 0 N-CA-C 113.816 1.043 . . . . 1.08 113.816 -167.234 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -85.45 -15.79 41.82 Favored 'General case' 0 C--N 1.284 -2.255 0 C-N-CA 125.164 1.386 . . . . 2.11 109.964 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.445 ' HB3' ' HG ' ' A' ' 36' ' ' LEU . 60.0 mmtt -82.23 126.09 31.69 Favored 'General case' 0 C--N 1.298 -1.655 0 N-CA-C 116.055 1.872 . . . . 1.02 116.055 -168.123 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.482 ' HA ' HG22 ' A' ' 68' ' ' THR . 3.7 p -95.02 22.16 6.9 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 113.748 -1.569 . . . . 1.16 112.458 -178.711 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.489 ' HA ' HD12 ' A' ' 36' ' ' LEU . 65.9 m-85 58.15 -108.55 0.42 Allowed 'General case' 0 C--O 1.246 0.88 0 N-CA-C 113.442 0.905 . . . . 0.36 113.442 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.527 HG23 ' HB ' ' A' ' 38' ' ' VAL . 1.5 p -74.95 56.33 0.74 Allowed 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 121.792 0.806 . . . . 0.47 112.765 178.691 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -161.23 -48.69 0.04 OUTLIER 'General case' 0 C--N 1.299 -1.623 0 CA-C-N 114.781 -1.1 . . . . 0.73 109.317 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -108.24 -41.56 4.86 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.516 -0.473 . . . . 1.46 111.351 -179.328 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.489 HD12 ' HA ' ' A' ' 32' ' ' PHE . 96.1 mt -76.21 -39.91 53.49 Favored 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 109.883 -0.414 . . . . 0.58 109.883 178.106 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.3 t70 69.92 93.47 0.08 Allowed 'General case' 0 CA--C 1.503 -0.835 0 C-N-CA 125.082 1.353 . . . . 1.14 108.618 -178.181 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.527 ' HB ' HG23 ' A' ' 33' ' ' THR . 75.1 t -106.49 -92.62 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.288 -2.088 0 CA-C-N 114.077 -1.42 . . . . 1.79 110.111 -170.587 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.1 t70 164.77 -175.49 0.02 OUTLIER 'General case' 0 CA--C 1.506 -0.736 0 N-CA-C 103.032 -2.951 . . . . 0.79 103.032 -177.666 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.435 ' O ' HG23 ' A' ' 44' ' ' VAL . 41.0 p -108.92 -29.76 8.45 Favored 'General case' 0 C--N 1.276 -2.62 0 CA-C-N 118.392 0.542 . . . . 1.23 110.745 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.467 ' O ' ' HG2' ' A' ' 45' ' ' GLU . 76.2 mt -71.99 -36.68 69.85 Favored 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 106.639 -1.615 . . . . 1.02 106.639 178.27 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.523 ' OG ' HG22 ' A' ' 18' ' ' ILE . 33.5 t -71.92 -37.8 69.98 Favored 'General case' 0 N--CA 1.415 -2.203 0 CA-C-N 113.284 -1.78 . . . . 1.02 108.469 177.481 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.446 ' O ' HG23 ' A' ' 47' ' ' VAL . 29.9 tpp -57.99 -47.79 81.94 Favored 'General case' 0 CA--C 1.519 -0.22 0 C-N-CA 123.249 0.62 . . . . 0.55 111.331 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.503 ' O ' HG23 ' A' ' 48' ' ' VAL . 83.9 t -60.2 -41.47 86.91 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.11 0 CA-C-N 115.414 -0.812 . . . . 0.56 110.054 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.682 ' HB2' HG21 ' A' ' 18' ' ' ILE . 10.7 mm-40 -67.18 -35.38 79.52 Favored 'General case' 0 N--CA 1.444 -0.753 0 O-C-N 123.348 0.405 . . . . 2.08 109.917 -179.582 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 42' ' ' SER . 92.7 t -60.77 -45.48 97.77 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 N-CA-C 109.596 -0.52 . . . . 0.52 109.596 176.38 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.554 HG22 HG21 ' A' ' 63' ' ' VAL . 45.8 t -56.49 -61.69 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 N-CA-C 108.306 -0.998 . . . . 0.38 108.306 175.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 44' ' ' VAL . 93.4 t -40.47 -58.1 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.055 0 O-C-N 124.445 1.091 . . . . 0.58 111.55 173.537 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.94 -36.13 82.95 Favored 'General case' 0 C--O 1.21 -1.006 0 N-CA-C 112.798 0.666 . . . . 0.42 112.798 -177.401 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.15 -42.52 98.7 Favored 'General case' 0 C--O 1.25 1.122 0 N-CA-C 109.904 -0.406 . . . . 0.38 109.904 177.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.636 ' HG2' ' H ' ' A' ' 58' ' ' ILE . 45.0 mt-10 -59.98 -44.36 94.54 Favored 'General case' 0 C--O 1.21 -0.985 0 CA-C-N 115.221 -0.899 . . . . 1.36 109.794 177.616 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -77.55 -26.12 50.7 Favored 'General case' 0 C--N 1.306 -1.322 0 N-CA-C 112.788 0.662 . . . . 2.09 112.788 -176.608 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 17.0 tpt85 -83.07 -34.86 26.08 Favored 'General case' 0 C--N 1.307 -1.266 0 CA-C-O 120.767 0.318 . . . . 2.75 111.195 -174.204 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.608 ' HB2' HG12 ' A' ' 56' ' ' VAL . 36.0 m-85 -112.6 -1.24 14.91 Favored 'General case' 0 C--N 1.305 -1.345 0 C-N-CA 120.281 -0.567 . . . . 0.73 111.054 -177.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 65.06 16.38 10.53 Favored 'General case' 0 N--CA 1.493 1.676 0 C-N-CA 125.235 1.414 . . . . 2.02 112.905 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.608 HG12 ' HB2' ' A' ' 54' ' ' PHE . 5.8 p -100.98 122.53 53.15 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.5 0 CA-C-N 115.359 -0.837 . . . . 1.61 110.41 -177.846 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 49.1 tptt -64.84 104.56 0.86 Allowed 'General case' 0 C--N 1.296 -1.731 0 CA-C-N 115.258 -0.883 . . . . 1.67 110.476 175.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.671 HD11 HG12 ' A' ' 76' ' ' ILE . 51.0 mt -115.98 99.08 52.28 Favored Pre-proline 0 C--N 1.305 -1.366 0 N-CA-C 106.305 -1.739 . . . . 0.49 106.305 175.541 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.495 ' HD2' ' HB2' ' A' ' 62' ' ' ASP . 7.9 Cg_exo -70.04 142.79 47.61 Favored 'Trans proline' 0 N--CA 1.443 -1.446 0 C-N-CA 121.53 1.487 . . . . 0.62 111.924 -177.808 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.417 ' O ' HG12 ' A' ' 63' ' ' VAL . 4.1 m-20 -44.13 -25.13 0.2 Allowed 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 124.784 1.234 . . . . 2.0 112.171 170.638 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.4 ' HA ' ' HE2' ' A' ' 64' ' ' LYS . 4.9 m-20 -73.13 -59.32 2.76 Favored 'General case' 0 C--N 1.317 -0.829 0 C-N-CA 123.289 0.636 . . . . 2.09 109.94 176.605 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.495 ' HB2' ' HD2' ' A' ' 59' ' ' PRO . 76.0 m-20 -66.73 -31.05 71.46 Favored 'General case' 0 CA--C 1.481 -1.71 0 CA-C-N 116.046 -0.525 . . . . 1.58 111.769 -176.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.554 HG21 HG22 ' A' ' 47' ' ' VAL . 2.9 p -61.16 -23.52 30.33 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.396 0 O-C-N 123.544 0.527 . . . . 0.69 110.977 -178.214 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.4 ' HE2' ' HA ' ' A' ' 61' ' ' ASP . 42.1 mttm -71.87 -19.73 61.91 Favored 'General case' 0 C--N 1.347 0.476 0 CA-C-O 121.564 0.697 . . . . 2.44 110.147 -179.42 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -88.98 -18.79 26.68 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-N 115.519 -0.764 . . . . 1.94 110.446 -177.574 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.816 HD13 ' HA ' ' A' ' 72' ' ' ALA . 64.2 mt -76.52 -66.9 0.75 Allowed 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 115.69 -0.686 . . . . 1.67 109.286 -178.094 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.422 ' HA ' ' HD3' ' A' ' 67' ' ' LYS 0.29 38.6 mmtt 71.84 -39.55 0.45 Allowed 'General case' 0 C--N 1.314 -0.975 0 N-CA-C 116.397 1.999 . . . . 3.18 116.397 178.165 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.482 HG22 ' HA ' ' A' ' 31' ' ' SER . 17.8 p -111.61 156.27 22.05 Favored 'General case' 0 C--N 1.264 -3.112 0 C-N-CA 119.281 -0.968 . . . . 0.51 111.402 179.508 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.64 HG21 ' O ' ' A' ' 27' ' ' LYS . 4.0 m -52.23 -47.71 44.47 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.577 0 CA-C-N 114.382 -1.281 . . . . 0.35 110.879 176.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.458 ' CA ' ' HG ' ' A' ' 28' ' ' LEU . . . -69.18 -31.57 72.02 Favored Glycine 0 N--CA 1.439 -1.115 0 CA-C-N 116.127 -0.488 . . . . 0.3 113.591 -179.296 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -74.28 -38.37 63.42 Favored 'General case' 0 CA--C 1.505 -0.784 0 N-CA-C 107.843 -1.169 . . . . 1.79 107.843 -179.086 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.816 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -58.87 -54.38 47.76 Favored 'General case' 0 C--O 1.212 -0.883 0 CA-C-N 114.918 -1.037 . . . . 0.29 108.556 174.64 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.576 HG23 ' HB ' ' A' ' 7' ' ' ILE . 96.9 m -48.37 -48.27 36.82 Favored 'General case' 0 C--O 1.195 -1.78 0 C-N-CA 123.953 0.901 . . . . 0.31 112.15 173.466 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.8 ttpp -55.91 -40.17 72.67 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 118.301 0.501 . . . . 2.93 111.267 177.194 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.576 ' O ' ' HB2' ' A' ' 79' ' ' HIS . 69.9 t80 -69.72 -47.28 63.69 Favored 'General case' 0 C--O 1.21 -1.008 0 N-CA-C 108.452 -0.944 . . . . 0.53 108.452 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.671 HG12 HD11 ' A' ' 58' ' ' ILE . 96.0 mt -59.71 -51.63 70.57 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.958 0 CA-C-N 115.357 -0.838 . . . . 0.27 110.087 179.257 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 27.2 tp -52.84 -43.09 65.77 Favored 'General case' 0 C--N 1.316 -0.85 0 C-N-CA 124.195 0.998 . . . . 1.15 111.379 -179.255 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -85.47 -41.63 15.19 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 123.718 0.636 . . . . 0.67 112.11 -174.294 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.576 ' HB2' ' O ' ' A' ' 75' ' ' TYR . 0.2 OUTLIER -72.14 -55.77 6.72 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-N 115.854 -0.612 . . . . 1.53 110.408 -176.901 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 49.22 -172.69 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.083 0.953 . . . . 0.89 112.797 -174.67 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.293 -1.866 0 N-CA-C 107.35 -1.352 . . . . 2.36 107.35 173.401 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.579 ' O ' HG13 ' A' ' 7' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.428 -1.55 0 N-CA-C 106.609 -1.626 . . . . 1.05 106.609 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.572 ' HA ' HD12 ' A' ' 7' ' ' ILE . 52.4 mt-30 -49.72 -39.51 37.38 Favored 'General case' 0 N--CA 1.486 1.33 0 N-CA-C 115.989 1.848 . . . . 1.25 115.989 -171.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -79.04 -24.54 43.54 Favored 'General case' 0 C--N 1.298 -1.65 0 CA-C-O 121.45 0.643 . . . . 2.3 109.696 -178.691 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.578 ' HB3' ' O ' ' A' ' 3' ' ' THR . 40.1 tt0 -74.78 -30.78 61.55 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 107.771 -1.196 . . . . 1.92 107.771 176.006 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.579 HG13 ' O ' ' A' ' 3' ' ' THR . 45.8 mt -64.75 -57.4 11.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 107.177 -1.416 . . . . 0.29 107.177 172.555 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.452 ' HA ' HD12 ' A' ' 11' ' ' LEU . 95.4 t -54.85 -38.45 44.51 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.871 0 CA-C-N 115.812 -0.631 . . . . 0.32 110.972 177.124 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.83 -41.54 99.37 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 122.57 0.348 . . . . 0.32 111.237 177.437 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.24 -39.96 97.53 Favored Glycine 0 CA--C 1.493 -1.321 0 N-CA-C 109.81 -1.316 . . . . 0.31 109.81 177.366 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.521 ' O ' HG23 ' A' ' 15' ' ' VAL . 96.3 mt -60.79 -50.88 71.68 Favored 'General case' 0 C--N 1.313 -0.982 0 N-CA-C 109.664 -0.495 . . . . 0.29 109.664 175.768 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.0 -44.72 74.79 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 124.341 1.056 . . . . 0.24 112.369 -178.42 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -65.3 -36.02 82.77 Favored 'General case' 0 C--O 1.241 0.635 0 N-CA-C 112.274 0.472 . . . . 1.46 112.274 -179.534 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 97.1 mt -68.68 -48.76 69.88 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.303 0 CA-C-N 115.465 -0.789 . . . . 0.41 109.385 176.061 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.539 HG12 ' HB ' ' A' ' 21' ' ' ILE . 95.3 t -56.93 -47.42 83.26 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.33 0 CA-C-N 115.673 -0.694 . . . . 0.29 110.393 178.721 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -62.64 -32.41 73.45 Favored 'General case' 0 C--N 1.298 -1.658 0 CA-C-O 120.981 0.419 . . . . 0.64 111.534 -179.177 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -76.51 -51.16 12.25 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 115.615 -0.72 . . . . 2.0 111.03 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.638 HG21 ' HB2' ' A' ' 45' ' ' GLU . 83.6 mt -89.01 -53.57 9.22 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.095 0 CA-C-O 121.155 0.502 . . . . 0.28 112.16 -174.485 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.436 ' CB ' HG13 ' A' ' 38' ' ' VAL . . . -76.19 -36.41 58.68 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 116.26 -0.427 . . . . 0.34 110.363 -177.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.66 32.56 18.42 Favored Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 110.966 -0.854 . . . . 0.46 110.966 -178.575 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.539 ' HB ' HG12 ' A' ' 15' ' ' VAL . 50.3 mm -110.9 133.04 21.35 Favored Pre-proline 0 C--N 1.318 -0.794 0 O-C-N 122.911 -0.17 . . . . 0.42 110.724 -176.115 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.51 ' HB2' ' HB2' ' A' ' 25' ' ' ASP . 11.4 Cg_exo -31.4 123.42 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.124 1 C-N-CA 126.078 4.518 . . . . 0.41 115.105 173.668 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 90.6 t -57.14 -34.68 45.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 113.948 -1.478 . . . . 0.69 109.986 -179.058 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -98.6 2.39 47.32 Favored 'General case' 0 N--CA 1.423 -1.792 0 N-CA-C 113.533 0.938 . . . . 2.34 113.533 -177.11 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.552 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 29.8 t70 -86.35 -25.3 25.46 Favored 'General case' 0 CA--C 1.503 -0.831 0 N-CA-C 106.061 -1.829 . . . . 0.69 106.061 172.38 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.736 HG13 HG11 ' A' ' 69' ' ' VAL . 55.8 t -72.17 78.61 0.29 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.833 0 CA-C-N 114.029 -1.441 . . . . 0.4 108.906 173.41 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.428 ' O ' HG21 ' A' ' 69' ' ' VAL . 62.6 mttm -91.84 -135.77 0.15 Allowed 'General case' 0 C--N 1.307 -1.242 0 CA-C-N 113.838 -1.528 . . . . 1.67 107.689 178.638 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.478 ' HA ' HG23 ' A' ' 69' ' ' VAL . 0.3 OUTLIER -114.68 -14.57 12.02 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 118.842 0.747 . . . . 1.08 111.401 174.504 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -88.72 2.58 53.13 Favored 'General case' 0 C--N 1.295 -1.781 0 C-N-CA 125.717 1.607 . . . . 2.11 109.463 -173.056 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.552 ' HG3' ' O ' ' A' ' 25' ' ' ASP . 75.8 mmtt -98.28 115.73 29.0 Favored 'General case' 0 C--N 1.275 -2.652 0 CA-C-N 114.027 -1.442 . . . . 1.02 114.049 -170.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.531 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 5.5 m -86.9 113.31 22.58 Favored 'General case' 0 N--CA 1.402 -2.869 0 N-CA-C 105.197 -2.149 . . . . 1.16 105.197 170.558 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.687 ' HA ' HD12 ' A' ' 36' ' ' LEU . 89.6 m-85 -31.3 -82.96 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 114.684 1.365 . . . . 0.36 114.684 177.788 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.615 HG23 ' HB ' ' A' ' 38' ' ' VAL . 0.8 OUTLIER -81.94 64.77 6.78 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 114.539 1.311 . . . . 0.47 114.539 177.347 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -175.73 -53.0 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.719 -0.673 . . . . 0.73 110.325 174.641 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -88.85 -47.71 7.99 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 115.867 -0.606 . . . . 1.46 110.541 178.718 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.687 HD12 ' HA ' ' A' ' 32' ' ' PHE . 96.5 mt -76.14 -44.61 37.51 Favored 'General case' 0 CA--C 1.505 -0.771 0 CA-C-N 116.125 -0.489 . . . . 0.58 109.982 -179.709 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.0 t70 79.59 86.84 0.06 Allowed 'General case' 0 CA--C 1.505 -0.751 0 C-N-CA 125.639 1.575 . . . . 1.14 109.543 177.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.615 ' HB ' HG23 ' A' ' 33' ' ' THR . 55.8 t -100.26 -102.96 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.423 -1.797 0 CA-C-N 114.275 -1.33 . . . . 1.79 109.114 -177.128 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.9 t70 176.26 -173.42 0.09 Allowed 'General case' 0 C--N 1.31 -1.109 0 N-CA-C 105.988 -1.856 . . . . 0.79 105.988 -177.187 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 66.0 m -83.51 -44.78 14.32 Favored 'General case' 0 C--N 1.294 -1.83 0 CA-C-O 121.699 0.761 . . . . 1.23 109.883 -178.78 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 87.5 mt -78.73 -45.11 21.94 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-N 115.021 -0.991 . . . . 1.02 112.429 -169.002 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.542 ' O ' HG23 ' A' ' 46' ' ' VAL . 2.9 p -70.08 -23.42 63.07 Favored 'General case' 0 N--CA 1.424 -1.772 0 CA-C-N 115.308 -0.86 . . . . 1.02 110.869 -175.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.439 ' CE ' HG23 ' A' ' 33' ' ' THR . 25.3 tpp -61.54 -43.46 98.82 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.538 -0.755 . . . . 0.55 110.63 177.472 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 48.6 t -69.98 -32.96 53.33 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.97 0 CA-C-N 115.411 -0.813 . . . . 0.56 109.507 -177.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.638 ' HB2' HG21 ' A' ' 18' ' ' ILE . 46.6 mt-10 -68.65 -37.45 79.68 Favored 'General case' 0 N--CA 1.437 -1.121 0 N-CA-C 109.717 -0.475 . . . . 2.08 109.717 178.507 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 42' ' ' SER . 86.0 t -58.87 -47.48 89.35 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.297 0 N-CA-C 109.466 -0.568 . . . . 0.52 109.466 176.214 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.436 HG22 HG21 ' A' ' 63' ' ' VAL . 62.6 t -54.8 -63.67 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 O-C-N 123.58 0.55 . . . . 0.38 109.554 176.069 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 76.2 t -45.03 -53.55 1.54 Allowed 'Isoleucine or valine' 0 CA--C 1.553 1.08 0 O-C-N 124.202 0.939 . . . . 0.58 112.1 177.56 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.98 -36.82 85.22 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 111.918 0.34 . . . . 0.42 111.918 -178.719 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.64 -37.27 85.67 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.588 0.232 . . . . 0.38 111.143 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.638 ' HG2' ' H ' ' A' ' 58' ' ' ILE . 43.0 mt-10 -57.55 -47.71 81.31 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.181 0.515 . . . . 1.36 109.878 177.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -76.06 -40.61 52.87 Favored 'General case' 0 C--N 1.306 -1.3 0 CA-C-N 115.943 -0.572 . . . . 2.09 111.962 -178.056 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 22.1 tpt180 -68.06 -35.09 77.65 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.405 0.621 . . . . 2.75 110.704 -172.592 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.459 ' HB2' HG22 ' A' ' 56' ' ' VAL . 6.6 m-85 -97.53 -4.03 38.65 Favored 'General case' 0 C--N 1.299 -1.616 0 CA-C-N 115.242 -0.89 . . . . 0.73 110.519 -177.083 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 62.65 19.63 11.47 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 124.625 1.17 . . . . 2.02 112.177 179.567 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.459 HG22 ' HB2' ' A' ' 54' ' ' PHE . 32.1 m -109.83 -166.72 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.352 0 CA-C-N 115.62 -0.718 . . . . 1.61 109.233 -178.857 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.41 ' HD2' ' O ' ' A' ' 56' ' ' VAL . 13.9 mmmm -128.68 120.43 26.5 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 108.633 -0.877 . . . . 1.67 108.633 172.364 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.638 ' H ' ' HG2' ' A' ' 51' ' ' GLU . 30.9 mt -127.45 86.08 59.38 Favored Pre-proline 0 C--N 1.296 -1.751 0 N-CA-C 105.39 -2.078 . . . . 0.49 105.39 177.027 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -69.09 143.39 53.94 Favored 'Trans proline' 0 N--CA 1.445 -1.374 0 C-N-CA 121.57 1.514 . . . . 0.62 112.921 -174.131 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.492 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 23.8 t70 -43.61 -27.97 0.35 Allowed 'General case' 0 C--O 1.207 -1.171 0 C-N-CA 124.994 1.318 . . . . 2.0 112.702 174.349 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -70.07 -59.1 3.11 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-O 120.757 0.313 . . . . 2.09 111.522 177.062 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -76.26 -22.75 54.76 Favored 'General case' 0 N--CA 1.486 1.328 0 N-CA-C 112.537 0.569 . . . . 1.58 112.537 -174.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.478 HG23 HD12 ' A' ' 66' ' ' LEU . 4.2 p -63.72 -22.45 30.97 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.57 0 CA-C-O 121.288 0.566 . . . . 0.69 110.786 -179.265 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.492 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 64.0 mttm -72.41 -2.71 20.43 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 115.692 -0.686 . . . . 2.44 112.566 -177.812 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -107.14 6.61 28.96 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-O 122.357 1.075 . . . . 1.94 108.731 176.519 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.796 HD13 ' HA ' ' A' ' 72' ' ' ALA . 64.0 mt -94.9 -68.12 0.82 Allowed 'General case' 0 C--O 1.201 -1.466 0 O-C-N 121.74 -0.6 . . . . 1.67 110.524 -179.706 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . 0.411 0.1 OUTLIER 59.7 -28.34 0.04 OUTLIER 'General case' 0 N--CA 1.5 2.052 0 N-CA-C 116.698 2.11 . . . . 3.18 116.698 178.598 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.531 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 66.8 p -111.88 169.05 9.1 Favored 'General case' 0 CA--C 1.488 -1.432 0 O-C-N 121.271 -0.893 . . . . 0.51 110.201 174.56 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.736 HG11 HG13 ' A' ' 26' ' ' VAL . 3.3 m -69.35 -36.62 72.97 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.287 0 CA-C-N 113.863 -1.517 . . . . 0.35 109.991 173.093 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -70.75 -47.9 37.74 Favored Glycine 0 N--CA 1.442 -0.923 0 CA-C-N 115.481 -0.782 . . . . 0.3 111.716 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -61.37 -39.32 90.21 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 110.083 -0.34 . . . . 1.79 110.083 177.635 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.796 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -57.99 -59.46 5.23 Favored 'General case' 0 C--O 1.217 -0.636 0 N-CA-C 109.673 -0.491 . . . . 0.29 109.673 177.699 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.423 ' HA ' HG21 ' A' ' 7' ' ' ILE . 92.4 m -48.91 -42.2 36.21 Favored 'General case' 0 C--O 1.214 -0.779 0 C-N-CA 124.277 1.031 . . . . 0.31 112.695 175.077 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -59.2 -40.22 85.07 Favored 'General case' 0 C--N 1.313 -1.008 0 C-N-CA 123.392 0.677 . . . . 2.93 110.123 179.421 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -76.41 -40.47 50.71 Favored 'General case' 0 C--O 1.216 -0.67 0 CA-C-N 115.855 -0.611 . . . . 0.53 109.641 178.316 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.515 HG13 ' O ' ' A' ' 72' ' ' ALA . 75.3 mt -66.51 -41.89 89.26 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.551 0 N-CA-C 109.946 -0.391 . . . . 0.27 109.946 -178.043 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.463 ' HA ' ' HG2' ' A' ' 80' ' ' GLN . 29.0 tp -65.56 -24.97 67.22 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 121.126 0.489 . . . . 1.15 110.136 178.745 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -84.79 -41.68 15.89 Favored 'General case' 0 C--N 1.307 -1.273 0 CA-C-N 115.381 -0.827 . . . . 0.67 110.44 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -91.17 5.57 48.5 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 115.371 -0.831 . . . . 1.53 112.197 -176.046 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.463 ' HG2' ' HA ' ' A' ' 77' ' ' LEU . 12.3 mm100 -35.52 137.73 0.18 Allowed 'General case' 0 C--O 1.249 1.078 0 N-CA-C 115.123 1.527 . . . . 0.89 115.123 178.612 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.42 -1.954 0 CA-C-N 114.309 -1.314 . . . . 2.36 107.551 177.746 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.682 ' O ' HG13 ' A' ' 7' ' ' ILE . 64.2 p . . . . . 0 N--CA 1.426 -1.659 0 N-CA-C 107.448 -1.315 . . . . 1.05 107.448 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.566 ' HA ' HD12 ' A' ' 7' ' ' ILE . 52.7 mt-30 -69.74 -20.97 63.5 Favored 'General case' 0 C--N 1.275 -2.649 0 CA-C-O 121.367 0.603 . . . . 1.25 110.845 -177.355 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -73.93 -41.27 62.3 Favored 'General case' 0 C--O 1.204 -1.327 0 N-CA-C 108.279 -1.008 . . . . 2.3 108.279 176.092 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -61.45 -38.17 86.23 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.061 -0.972 . . . . 1.92 108.844 178.592 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.706 HG21 ' HA ' ' A' ' 73' ' ' THR . 52.3 mt -62.51 -60.45 2.72 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.844 0 CA-C-N 114.985 -1.007 . . . . 0.29 108.914 177.785 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.4 t -54.3 -40.46 48.05 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.082 0 CA-C-N 115.816 -0.629 . . . . 0.32 111.782 177.396 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.31 -40.02 95.08 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.013 0.435 . . . . 0.32 110.218 177.389 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.06 -40.06 96.77 Favored Glycine 0 C--O 1.209 -1.454 0 N-CA-C 110.088 -1.205 . . . . 0.31 110.088 177.079 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.403 ' O ' HG23 ' A' ' 15' ' ' VAL . 94.6 mt -63.31 -47.12 83.58 Favored 'General case' 0 C--N 1.306 -1.32 0 N-CA-C 109.878 -0.416 . . . . 0.29 109.878 175.246 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.517 ' HB1' HG13 ' A' ' 23' ' ' VAL . . . -56.72 -43.77 80.94 Favored 'General case' 0 C--N 1.318 -0.787 0 C-N-CA 123.615 0.766 . . . . 0.24 112.466 -178.896 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -65.82 -43.77 87.6 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-O 121.004 0.43 . . . . 1.46 111.6 179.121 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.469 HG23 HD12 ' A' ' 18' ' ' ILE . 95.8 mt -63.24 -51.56 69.72 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.295 0 CA-C-N 115.607 -0.724 . . . . 0.41 110.102 178.514 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 11' ' ' LEU . 89.3 t -61.01 -37.6 77.65 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 CA-C-N 115.771 -0.649 . . . . 0.29 111.383 -179.623 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.444 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 61.4 t30 -65.62 -37.55 86.91 Favored 'General case' 0 C--N 1.305 -1.359 0 C-N-CA 120.277 -0.569 . . . . 0.64 110.578 -179.377 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -81.34 -48.13 12.38 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 116.099 -0.501 . . . . 2.0 111.828 -177.748 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.681 HG21 ' HB2' ' A' ' 45' ' ' GLU . 97.0 mt -81.33 -53.25 12.64 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.192 0 N-CA-C 112.038 0.385 . . . . 0.28 112.038 -176.677 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.715 ' HB1' HG21 ' A' ' 38' ' ' VAL . . . -79.68 -36.73 37.18 Favored 'General case' 0 C--N 1.31 -1.145 0 CA-C-O 121.219 0.533 . . . . 0.34 110.291 -176.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.86 7.96 60.93 Favored Glycine 0 C--N 1.31 -0.879 0 C-N-CA 120.75 -0.738 . . . . 0.46 111.297 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.646 HG21 HD22 ' A' ' 36' ' ' LEU . 51.0 mm -91.44 130.62 38.85 Favored Pre-proline 0 C--N 1.314 -0.966 0 N-CA-C 108.987 -0.746 . . . . 0.42 108.987 -178.785 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.485 ' O ' HG23 ' A' ' 26' ' ' VAL . 6.5 Cg_exo -34.99 127.1 0.23 Allowed 'Trans proline' 0 C--N 1.352 0.756 1 C-N-CA 125.406 4.07 . . . . 0.41 114.981 175.713 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.517 HG13 ' HB1' ' A' ' 12' ' ' ALA . 71.1 t -51.2 -33.28 13.47 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.252 0 C-N-CA 124.787 1.235 . . . . 0.69 109.01 174.186 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -82.02 -25.09 34.98 Favored 'General case' 0 N--CA 1.413 -2.275 0 CA-C-N 113.966 -1.47 . . . . 2.34 112.276 -174.725 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.471 ' O ' ' HE3' ' A' ' 30' ' ' LYS . 26.9 t70 -82.99 -19.39 37.13 Favored 'General case' 0 CA--C 1.503 -0.842 0 N-CA-C 108.337 -0.986 . . . . 0.69 108.337 178.83 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 22' ' ' PRO . 58.4 t -73.75 76.51 0.37 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.694 0 CA-C-O 122.411 1.1 . . . . 0.4 108.743 175.008 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.588 ' O ' HG21 ' A' ' 69' ' ' VAL . 94.3 mttt -91.57 -145.71 0.2 Allowed 'General case' 0 C--N 1.305 -1.34 0 CA-C-N 114.05 -1.432 . . . . 1.67 108.406 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.0 tt -114.66 -13.93 12.07 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 119.386 0.994 . . . . 1.08 111.657 -175.79 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -87.99 -9.77 52.46 Favored 'General case' 0 C--N 1.301 -1.503 0 CA-C-O 122.466 1.127 . . . . 2.11 109.596 179.452 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.611 ' O ' HG22 ' A' ' 69' ' ' VAL . 66.8 mmtt -72.21 114.35 10.23 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-N 114.281 -1.327 . . . . 1.02 114.522 -172.053 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.553 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 3.9 m -85.34 36.07 0.62 Allowed 'General case' 0 C--N 1.287 -2.126 0 CA-C-N 115.031 -0.986 . . . . 1.16 113.503 -178.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.676 ' HA ' HD12 ' A' ' 36' ' ' LEU . 50.2 m-85 48.97 -111.21 0.44 Allowed 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 114.318 1.229 . . . . 0.36 114.318 179.544 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.08 38.22 0.13 Allowed 'General case' 0 C--N 1.314 -0.943 0 N-CA-C 114.025 1.12 . . . . 0.47 114.025 -179.192 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.45 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 9.7 t70 -143.19 -66.53 0.37 Allowed 'General case' 0 C--N 1.296 -1.745 0 CA-C-N 114.881 -1.054 . . . . 0.73 108.598 177.402 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -76.59 -51.29 11.89 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 119.484 -0.886 . . . . 1.46 109.8 179.447 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.676 HD12 ' HA ' ' A' ' 32' ' ' PHE . 79.4 mt -66.33 -50.73 62.6 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 107.695 -1.224 . . . . 0.58 107.695 177.595 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.1 t70 66.43 90.72 0.09 Allowed 'General case' 0 CA--C 1.507 -0.699 0 CA-C-N 114.466 -1.243 . . . . 1.14 109.624 177.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.715 HG21 ' HB1' ' A' ' 19' ' ' ALA . 4.0 p -119.97 -89.23 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.412 -2.339 0 N-CA-C 114.456 1.28 . . . . 1.79 114.456 -179.316 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.687 ' H ' HG13 ' A' ' 38' ' ' VAL . 7.6 t70 -158.18 172.38 18.49 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 106.225 -1.769 . . . . 0.79 106.225 -172.335 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 47.6 t -95.51 -39.88 9.74 Favored 'General case' 0 C--N 1.265 -3.104 0 CA-C-O 121.895 0.855 . . . . 1.23 109.117 -174.244 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 68.2 mt -79.63 -24.99 41.52 Favored 'General case' 0 C--N 1.301 -1.543 0 CA-C-N 114.777 -1.101 . . . . 1.02 109.382 -172.442 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.509 ' O ' HG23 ' A' ' 46' ' ' VAL . 31.4 m -79.38 -26.82 41.9 Favored 'General case' 0 N--CA 1.423 -1.781 0 CA-C-N 115.138 -0.937 . . . . 1.02 109.532 176.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.485 ' CE ' ' HB3' ' A' ' 32' ' ' PHE . 32.7 tpp -67.59 -40.2 84.81 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.482 0.658 . . . . 0.55 110.284 -178.194 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.463 ' O ' HG23 ' A' ' 48' ' ' VAL . 40.4 t -67.18 -36.95 78.21 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.249 0 CA-C-N 115.373 -0.831 . . . . 0.56 109.758 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.681 ' HB2' HG21 ' A' ' 18' ' ' ILE . 31.6 mm-40 -66.3 -35.21 79.8 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 116.5 -0.318 . . . . 2.08 110.397 178.213 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 42' ' ' SER . 99.5 t -60.58 -45.16 97.68 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.644 0 N-CA-C 108.899 -0.778 . . . . 0.52 108.899 176.277 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.679 HG22 HG21 ' A' ' 63' ' ' VAL . 59.4 t -54.32 -62.47 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 N-CA-C 108.812 -0.81 . . . . 0.38 108.812 175.198 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 44' ' ' VAL . 95.5 t -41.68 -60.04 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 124.278 0.986 . . . . 0.58 111.218 175.42 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.6 -39.72 92.25 Favored 'General case' 0 C--O 1.218 -0.595 0 N-CA-C 112.61 0.596 . . . . 0.42 112.61 -177.284 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.3 -37.59 78.1 Favored 'General case' 0 C--O 1.241 0.636 0 C-N-CA 122.297 0.239 . . . . 0.38 111.243 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.655 ' HG2' ' H ' ' A' ' 58' ' ' ILE . 28.6 mt-10 -59.99 -42.16 93.62 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 116.282 -0.417 . . . . 1.36 110.596 177.91 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -81.35 -39.29 25.3 Favored 'General case' 0 C--N 1.309 -1.173 0 O-C-N 124.012 0.82 . . . . 2.09 111.644 -176.127 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 51.7 tpt85 -72.21 -36.76 69.25 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.422 0.629 . . . . 2.75 110.766 -174.667 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.525 ' CE2' HD13 ' A' ' 76' ' ' ILE . 24.3 m-85 -99.78 -16.72 18.0 Favored 'General case' 0 C--N 1.292 -1.892 0 C-N-CA 120.127 -0.629 . . . . 0.73 111.447 -178.588 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 33.5 t70 64.76 13.13 8.21 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 124.749 1.22 . . . . 2.02 110.236 -179.327 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.507 HG12 ' HA ' ' A' ' 80' ' ' GLN . 33.1 m -88.42 -13.43 9.94 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.83 0 CA-C-N 115.13 -0.941 . . . . 1.61 111.255 -175.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.429 ' HE2' ' OE1' ' A' ' 51' ' ' GLU . 14.2 mmmm 53.54 88.36 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 124.715 1.206 . . . . 1.67 112.139 -177.369 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.655 ' H ' ' HG2' ' A' ' 51' ' ' GLU . 23.9 mt -98.38 97.98 5.27 Favored Pre-proline 0 C--N 1.307 -1.247 0 N-CA-C 107.436 -1.32 . . . . 0.49 107.436 176.057 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -72.53 147.96 47.04 Favored 'Trans proline' 0 N--CA 1.44 -1.663 0 C-N-CA 120.968 1.112 . . . . 0.62 111.491 -177.655 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.591 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 5.5 m-20 -42.72 -34.34 0.89 Allowed 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 125.166 1.387 . . . . 2.0 112.328 176.045 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.476 ' HA ' ' HE2' ' A' ' 64' ' ' LYS . 12.6 t70 -62.52 -56.97 13.03 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-O 121.186 0.517 . . . . 2.09 110.799 179.255 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -74.64 -27.66 60.54 Favored 'General case' 0 CA--C 1.487 -1.454 0 CA-C-N 116.267 -0.424 . . . . 1.58 111.111 -175.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.679 HG21 HG22 ' A' ' 47' ' ' VAL . 1.1 p -61.7 -22.86 29.32 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 CA-C-O 121.289 0.566 . . . . 0.69 110.823 -177.618 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.591 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 54.4 mtmt -71.4 -8.79 56.1 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-N 115.55 -0.75 . . . . 2.44 112.058 -179.068 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 28.7 m-80 -102.95 0.66 32.62 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 116.166 -0.47 . . . . 1.94 109.753 -178.089 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.663 HD13 ' HA ' ' A' ' 72' ' ' ALA . 70.9 mt -90.09 -62.86 1.37 Allowed 'General case' 0 C--N 1.312 -1.038 0 C-N-CA 120.718 -0.393 . . . . 1.67 110.866 -175.572 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . 0.522 0.0 OUTLIER 57.44 -6.23 0.04 OUTLIER 'General case' 0 CA--C 1.559 1.327 0 N-CA-C 118.405 2.742 . . . . 3.18 118.405 179.709 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.553 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 57.2 p -137.19 172.85 12.38 Favored 'General case' 0 CA--C 1.498 -1.029 0 O-C-N 121.319 -0.863 . . . . 0.51 109.487 169.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.611 HG22 ' O ' ' A' ' 30' ' ' LYS . 2.4 m -69.91 -45.55 76.52 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.573 0 CA-C-N 114.757 -1.11 . . . . 0.35 109.783 171.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -63.47 -42.66 98.93 Favored Glycine 0 N--CA 1.446 -0.639 0 CA-C-N 116.178 -0.465 . . . . 0.3 112.936 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -70.76 -32.53 69.7 Favored 'General case' 0 CA--C 1.508 -0.673 0 O-C-N 122.463 -0.433 . . . . 1.79 110.395 178.282 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.663 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -60.55 -57.14 14.0 Favored 'General case' 0 C--O 1.208 -1.104 0 N-CA-C 108.245 -1.021 . . . . 0.29 108.245 173.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.706 ' HA ' HG21 ' A' ' 7' ' ' ILE . 85.2 m -47.7 -41.99 23.97 Favored 'General case' 0 C--O 1.209 -1.073 0 C-N-CA 124.365 1.066 . . . . 0.31 112.748 174.276 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -59.55 -42.28 92.03 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 118.109 0.413 . . . . 2.93 110.658 177.478 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.476 ' O ' ' HB2' ' A' ' 79' ' ' HIS . 55.0 t80 -72.21 -42.46 65.75 Favored 'General case' 0 C--O 1.205 -1.28 0 N-CA-C 109.137 -0.69 . . . . 0.53 109.137 179.78 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.601 HG12 HD11 ' A' ' 58' ' ' ILE . 76.0 mt -65.57 -43.87 94.03 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.288 0 CA-C-N 116.078 -0.51 . . . . 0.27 109.927 -178.818 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.454 HD22 ' CD ' ' A' ' 4' ' ' GLN . 21.0 tp -63.88 -26.26 68.53 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.205 0.526 . . . . 1.15 110.794 178.481 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -87.53 -34.3 18.66 Favored 'General case' 0 C--N 1.304 -1.411 0 CA-C-O 121.81 0.814 . . . . 0.67 110.425 -179.568 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.476 ' HB2' ' O ' ' A' ' 75' ' ' TYR . 0.2 OUTLIER -92.85 2.78 56.59 Favored 'General case' 0 C--N 1.308 -1.199 0 CA-C-N 114.991 -1.004 . . . . 1.53 111.172 -176.073 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.507 ' HA ' HG12 ' A' ' 56' ' ' VAL . 11.1 mm100 -38.16 133.35 0.93 Allowed 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 115.575 1.694 . . . . 0.89 115.575 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.421 -1.907 0 N-CA-C 107.084 -1.45 . . . . 2.36 107.084 174.464 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.501 ' O ' HG13 ' A' ' 7' ' ' ILE . 23.8 m . . . . . 0 N--CA 1.424 -1.746 0 N-CA-C 108.109 -1.071 . . . . 1.05 108.109 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.457 ' HA ' HD12 ' A' ' 7' ' ' ILE . 79.2 mt-30 -49.26 -37.24 22.91 Favored 'General case' 0 N--CA 1.485 1.298 0 N-CA-C 112.809 0.67 . . . . 1.25 112.809 -178.247 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -64.45 -33.86 76.85 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 116.243 -0.435 . . . . 2.3 110.905 179.337 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -72.31 -37.97 68.82 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.078 -0.712 . . . . 1.92 109.078 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.501 HG13 ' O ' ' A' ' 3' ' ' THR . 19.8 mt -63.0 -58.49 7.36 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.045 0 N-CA-C 108.393 -0.966 . . . . 0.29 108.393 179.395 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.469 HG21 HD11 ' A' ' 28' ' ' LEU . 57.4 t -54.53 -38.71 42.79 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.272 0 CA-C-N 115.618 -0.719 . . . . 0.32 111.287 177.546 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.418 ' O ' ' HG2' ' A' ' 13' ' ' GLU . . . -66.88 -41.74 86.73 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.606 0.241 . . . . 0.32 110.857 178.36 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.12 -41.4 99.75 Favored Glycine 0 N--CA 1.445 -0.702 0 N-CA-C 110.592 -1.003 . . . . 0.31 110.592 176.446 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.5 ' O ' HG23 ' A' ' 15' ' ' VAL . 76.9 mt -61.22 -45.86 92.84 Favored 'General case' 0 N--CA 1.436 -1.153 0 C-N-CA 123.127 0.571 . . . . 0.29 110.154 175.554 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.429 ' HB1' HG13 ' A' ' 23' ' ' VAL . . . -56.79 -41.58 77.95 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 123.894 0.878 . . . . 0.24 111.823 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.418 ' HG2' ' O ' ' A' ' 9' ' ' ALA . 7.8 mm-40 -53.94 -51.21 64.52 Favored 'General case' 0 N--CA 1.488 1.464 0 CA-C-O 122.132 0.968 . . . . 1.46 109.401 175.746 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 95.9 mt -63.42 -50.08 80.1 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.935 0 CA-C-N 113.38 -1.736 . . . . 0.41 110.674 -177.19 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 11' ' ' LEU . 90.6 t -58.25 -47.11 88.37 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.682 0 CA-C-N 115.959 -0.564 . . . . 0.29 110.481 178.799 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -64.71 -33.13 75.23 Favored 'General case' 0 C--N 1.302 -1.497 0 CA-C-O 121.085 0.469 . . . . 0.64 111.344 -177.382 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -69.87 -57.59 4.88 Favored 'General case' 0 C--N 1.304 -1.403 0 CA-C-N 115.593 -0.731 . . . . 2.0 110.719 177.521 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.734 HG22 ' HB3' ' A' ' 42' ' ' SER . 59.6 mt -82.95 -53.39 11.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.808 -0.633 . . . . 0.28 111.817 -171.292 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.699 ' HB2' HG13 ' A' ' 38' ' ' VAL . . . -75.94 -37.41 58.69 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.051 0.453 . . . . 0.34 110.278 -178.384 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 87.29 18.24 57.65 Favored Glycine 0 C--O 1.226 -0.392 0 N-CA-C 111.446 -0.662 . . . . 0.46 111.446 -178.583 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.437 ' HA ' ' HD2' ' A' ' 22' ' ' PRO . 51.4 mm -98.72 134.36 21.7 Favored Pre-proline 0 C--N 1.313 -1.009 0 N-CA-C 109.842 -0.429 . . . . 0.42 109.842 -177.024 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.437 ' HD2' ' HA ' ' A' ' 21' ' ' ILE . 20.1 Cg_exo -28.74 123.64 0.05 OUTLIER 'Trans proline' 0 C--N 1.371 1.756 1 C-N-CA 126.087 4.524 . . . . 0.41 115.108 174.775 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.475 ' O ' ' HB ' ' A' ' 26' ' ' VAL . 71.3 t -50.95 -47.69 29.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 113.87 -1.514 . . . . 0.69 108.828 176.85 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -79.67 -3.7 48.43 Favored 'General case' 0 N--CA 1.418 -2.026 0 N-CA-C 114.322 1.23 . . . . 2.34 114.322 -176.366 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.629 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 26.3 t70 -87.79 -16.45 34.11 Favored 'General case' 0 N--CA 1.437 -1.106 0 C-N-CA 118.088 -1.445 . . . . 0.69 108.503 175.776 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.493 HG13 HG11 ' A' ' 69' ' ' VAL . 20.6 t -72.93 85.47 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.394 0 CA-C-O 122.965 1.364 . . . . 0.4 108.245 172.89 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.595 ' NZ ' ' HA ' ' A' ' 25' ' ' ASP . 54.2 mttp -97.03 -134.12 0.23 Allowed 'General case' 0 C--N 1.303 -1.438 0 CA-C-N 112.805 -1.998 . . . . 1.67 107.589 179.174 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.641 ' HA ' HG23 ' A' ' 69' ' ' VAL . 8.2 mp -124.78 -17.25 5.94 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 118.987 0.812 . . . . 1.08 112.647 174.05 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -88.45 -0.76 57.54 Favored 'General case' 0 N--CA 1.491 1.623 0 CA-C-O 123.256 1.503 . . . . 2.11 109.181 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.672 ' O ' HG22 ' A' ' 69' ' ' VAL . 71.9 mmtt -86.44 97.66 10.59 Favored 'General case' 0 C--N 1.289 -2.056 0 CA-C-N 113.744 -1.571 . . . . 1.02 113.293 -175.414 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.644 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 12.0 m -70.94 111.69 6.53 Favored 'General case' 0 N--CA 1.401 -2.913 0 N-CA-C 107.333 -1.358 . . . . 1.16 107.333 171.534 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.744 ' HA ' HD12 ' A' ' 36' ' ' LEU . 77.0 m-85 -29.59 -88.56 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 114.53 1.308 . . . . 0.36 114.53 177.154 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.599 HG23 ' HB ' ' A' ' 38' ' ' VAL . 0.8 OUTLIER -82.81 66.87 8.63 Favored 'General case' 0 C--N 1.298 -1.671 0 N-CA-C 113.031 0.752 . . . . 0.47 113.031 176.105 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.644 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 23.0 t70 -169.77 -59.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.223 -0.899 . . . . 0.73 110.682 178.359 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -101.65 -31.03 11.01 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 121.488 0.661 . . . . 1.46 109.971 -175.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.744 HD12 ' HA ' ' A' ' 32' ' ' PHE . 88.2 mt -83.52 -49.95 8.75 Favored 'General case' 0 CA--C 1.507 -0.682 0 N-CA-C 109.477 -0.564 . . . . 0.58 109.477 175.337 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.6 t70 78.5 92.24 0.06 Allowed 'General case' 0 CA--C 1.512 -0.488 0 C-N-CA 125.471 1.509 . . . . 1.14 110.235 -178.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.699 HG13 ' HB2' ' A' ' 19' ' ' ALA . 84.5 t -102.15 -94.72 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.308 -1.227 0 CA-C-N 114.214 -1.357 . . . . 1.79 110.091 -173.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.6 t70 174.88 -178.37 0.1 Allowed 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 104.421 -2.437 . . . . 0.79 104.421 -178.385 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 24.3 t -98.54 -41.22 7.86 Favored 'General case' 0 C--N 1.267 -2.992 0 CA-C-O 121.469 0.652 . . . . 1.23 109.527 -174.407 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 83.8 mt -78.76 -31.55 46.23 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 108.835 -0.802 . . . . 1.02 108.835 -177.09 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.734 ' HB3' HG22 ' A' ' 18' ' ' ILE . 15.0 m -70.76 -29.46 65.69 Favored 'General case' 0 N--CA 1.422 -1.832 0 CA-C-N 114.312 -1.313 . . . . 1.02 109.795 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.498 ' HE2' ' HB2' ' A' ' 43' ' ' MET . 31.2 tpp -62.77 -43.01 99.92 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 115.663 -0.699 . . . . 0.55 111.509 -177.702 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.409 ' O ' HG23 ' A' ' 48' ' ' VAL . 47.7 t -70.78 -29.44 37.76 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.493 0 CA-C-N 115.614 -0.721 . . . . 0.56 109.859 -176.676 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -72.96 -35.72 66.99 Favored 'General case' 0 N--CA 1.439 -0.981 0 N-CA-C 109.7 -0.482 . . . . 2.08 109.7 177.806 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 42' ' ' SER . 93.3 t -59.27 -45.91 92.73 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 N-CA-C 109.25 -0.648 . . . . 0.52 109.25 176.702 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.429 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 59.9 t -55.81 -63.21 0.63 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 CA-C-N 115.817 -0.629 . . . . 0.38 109.354 176.308 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.627 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 87.4 t -49.48 -48.08 19.81 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.348 0 O-C-N 123.858 0.723 . . . . 0.58 112.277 179.105 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.01 -29.2 68.96 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 112.44 0.533 . . . . 0.42 112.44 -178.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.55 -37.91 83.39 Favored 'General case' 0 C--O 1.25 1.112 0 CA-C-O 120.707 0.289 . . . . 0.38 110.312 178.478 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.627 ' OE1' ' HA ' ' A' ' 48' ' ' VAL . 26.6 mt-10 -59.72 -48.56 81.21 Favored 'General case' 0 CA--C 1.518 -0.256 0 N-CA-C 107.918 -1.141 . . . . 1.36 107.918 177.439 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -64.3 -30.64 71.68 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-N 113.706 -1.588 . . . . 2.09 111.062 -178.765 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.425 ' HD2' ' HA ' ' A' ' 53' ' ' ARG . 20.2 tpt180 -80.73 -53.29 6.64 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-O 121.096 0.474 . . . . 2.75 110.738 -173.847 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.559 ' HB2' HG12 ' A' ' 56' ' ' VAL . 55.1 m-85 -93.39 -6.53 46.97 Favored 'General case' 0 C--N 1.3 -1.552 0 CA-C-N 115.865 -0.607 . . . . 0.73 112.561 -171.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.2 t70 70.74 16.48 6.74 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.834 1.253 . . . . 2.02 111.014 178.625 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.586 ' O ' ' HA ' ' A' ' 51' ' ' GLU . 3.7 p -107.72 116.12 50.44 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.527 0 N-CA-C 107.668 -1.234 . . . . 1.61 107.668 176.043 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.9 tmtm? -73.16 96.77 2.28 Favored 'General case' 0 C--N 1.293 -1.854 0 CA-C-N 115.281 -0.872 . . . . 1.67 109.345 -175.487 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.619 ' H ' ' HG2' ' A' ' 51' ' ' GLU . 19.2 mt -101.04 99.12 9.83 Favored Pre-proline 0 C--N 1.312 -1.024 0 N-CA-C 108.216 -1.031 . . . . 0.49 108.216 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -74.13 149.82 41.7 Favored 'Trans proline' 0 N--CA 1.445 -1.358 0 C-N-CA 121.636 1.558 . . . . 0.62 111.091 -178.349 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.517 ' HA ' ' CG1' ' A' ' 63' ' ' VAL . 4.6 p-10 -59.92 -14.61 16.45 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 122.992 0.517 . . . . 2.0 111.183 178.134 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.453 ' HA ' ' HE2' ' A' ' 64' ' ' LYS . 28.0 t70 -68.25 -56.84 7.24 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.048 -0.524 . . . . 2.09 111.518 174.262 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -83.87 -25.36 30.31 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-O 121.104 0.478 . . . . 1.58 110.839 -175.268 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.517 ' CG1' ' HA ' ' A' ' 60' ' ' ASP . 1.4 p -57.35 -21.71 15.86 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.861 0 CA-C-N 115.768 -0.651 . . . . 0.69 111.363 -179.486 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.453 ' HE2' ' HA ' ' A' ' 61' ' ' ASP . 62.9 mttm -60.97 -13.16 14.28 Favored 'General case' 0 C--O 1.218 -0.591 0 C-N-CA 124.043 0.937 . . . . 2.44 112.853 -178.312 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 45.2 m-80 -91.28 -18.55 24.17 Favored 'General case' 0 CA--C 1.501 -0.912 0 N-CA-C 108.867 -0.79 . . . . 1.94 108.867 -179.377 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.789 HD13 ' HA ' ' A' ' 72' ' ' ALA . 14.1 mt -93.9 109.97 21.66 Favored 'General case' 0 N--CA 1.42 -1.972 0 N-CA-C 106.025 -1.843 . . . . 1.67 106.025 -179.516 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.78 -3.9 14.81 Favored 'General case' 0 C--N 1.28 -2.422 0 N-CA-C 113.539 0.94 . . . . 3.18 113.539 -178.481 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.605 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 81.3 p -129.44 176.13 8.21 Favored 'General case' 0 N--CA 1.432 -1.335 0 CA-C-O 121.397 0.618 . . . . 0.51 110.046 175.649 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.672 HG22 ' O ' ' A' ' 30' ' ' LYS . 2.2 m -66.71 -31.34 53.08 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.608 0 CA-C-N 114.243 -1.344 . . . . 0.35 110.098 171.41 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -73.8 -43.89 33.46 Favored Glycine 0 N--CA 1.431 -1.657 0 N-CA-C 110.495 -1.042 . . . . 0.3 110.495 178.817 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.545 ' HB3' ' HA ' ' A' ' 66' ' ' LEU . 10.6 m-20 -61.75 -41.87 98.23 Favored 'General case' 0 CA--C 1.5 -0.965 0 C-N-CA 122.169 0.188 . . . . 1.79 110.605 177.52 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.789 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -55.41 -59.77 4.34 Favored 'General case' 0 CA--C 1.517 -0.311 0 N-CA-C 108.973 -0.751 . . . . 0.29 108.973 176.58 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.477 ' HA ' HG21 ' A' ' 7' ' ' ILE . 91.6 m -48.71 -42.96 36.68 Favored 'General case' 0 C--O 1.192 -1.941 0 C-N-CA 124.011 0.924 . . . . 0.31 112.737 173.008 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -60.27 -33.19 71.97 Favored 'General case' 0 C--N 1.317 -0.83 0 C-N-CA 123.617 0.767 . . . . 2.93 111.068 -179.556 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.59 ' HB2' HD21 ' A' ' 66' ' ' LEU . 37.9 t80 -76.9 -54.85 6.05 Favored 'General case' 0 C--O 1.205 -1.241 0 N-CA-C 107.703 -1.221 . . . . 0.53 107.703 176.748 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.553 HG12 HD11 ' A' ' 58' ' ' ILE . 73.7 mt -56.56 -50.03 75.1 Favored 'Isoleucine or valine' 0 C--O 1.193 -1.918 0 C-N-CA 124.632 1.173 . . . . 0.27 111.373 -176.439 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 46.7 tp -53.5 -38.19 63.47 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.842 0.857 . . . . 1.15 111.349 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -87.08 -39.71 15.34 Favored 'General case' 0 C--N 1.293 -1.882 0 CA-C-N 114.511 -1.222 . . . . 0.67 111.446 -175.459 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 31.1 m-70 -90.62 5.33 48.41 Favored 'General case' 0 C--N 1.294 -1.808 0 CA-C-N 114.637 -1.165 . . . . 1.53 112.322 -175.571 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -37.92 140.62 0.25 Allowed 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 125.326 1.45 . . . . 0.89 114.547 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.418 -2.074 0 N-CA-C 107.099 -1.445 . . . . 2.36 107.099 174.652 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.555 ' O ' HG13 ' A' ' 7' ' ' ILE . 1.2 m . . . . . 0 N--CA 1.431 -1.385 0 N-CA-C 107.358 -1.349 . . . . 1.05 107.358 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.53 ' HA ' HD12 ' A' ' 7' ' ' ILE . 50.5 mt-30 -60.01 -29.85 68.75 Favored 'General case' 0 C--N 1.314 -0.955 0 N-CA-C 114.725 1.38 . . . . 1.25 114.725 -168.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -75.59 -37.48 59.82 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 108.077 -1.082 . . . . 2.3 108.077 -178.425 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.422 ' HB3' ' O ' ' A' ' 3' ' ' THR . 10.0 tp10 -62.71 -36.2 82.2 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 124.629 1.172 . . . . 1.92 108.667 175.259 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.555 HG13 ' O ' ' A' ' 3' ' ' THR . 46.8 mt -65.61 -57.5 10.57 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.471 0 N-CA-C 108.662 -0.866 . . . . 0.29 108.662 176.856 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.4 t -53.12 -39.06 31.98 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.957 0 CA-C-N 116.189 -0.459 . . . . 0.32 111.273 176.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.38 -38.45 84.75 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.182 0.515 . . . . 0.32 110.596 177.819 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.78 -35.12 91.54 Favored Glycine 0 C--O 1.206 -1.627 0 N-CA-C 110.476 -1.05 . . . . 0.31 110.476 178.135 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.486 ' O ' HG23 ' A' ' 15' ' ' VAL . 96.1 mt -68.31 -50.5 53.07 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 109.414 -0.587 . . . . 0.29 109.414 174.76 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -53.8 -43.39 69.28 Favored 'General case' 0 C--O 1.24 0.578 0 C-N-CA 124.166 0.986 . . . . 0.24 112.599 -177.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -64.73 -29.64 70.63 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-O 121.255 0.55 . . . . 1.46 111.923 -179.355 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.475 HD11 ' HB2' ' A' ' 53' ' ' ARG . 96.8 mt -80.04 -51.32 16.36 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.778 0 CA-C-N 115.688 -0.687 . . . . 0.41 109.197 179.461 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 11' ' ' LEU . 87.6 t -54.02 -43.97 60.71 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.443 0 CA-C-N 115.195 -0.911 . . . . 0.29 110.748 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.404 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 59.4 t30 -59.71 -34.2 72.6 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-O 120.735 0.302 . . . . 0.64 111.055 -179.391 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -83.1 -45.93 13.39 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 112.387 0.514 . . . . 2.0 112.387 -176.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.644 HG21 ' HB2' ' A' ' 45' ' ' GLU . 79.5 mt -88.54 -53.82 8.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 CA-C-O 121.338 0.59 . . . . 0.28 111.727 -175.041 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.656 ' HB1' HG11 ' A' ' 38' ' ' VAL . . . -74.83 -38.74 61.94 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-N 115.834 -0.621 . . . . 0.34 109.577 -177.718 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.33 36.28 11.05 Favored Glycine 0 N--CA 1.438 -1.208 0 N-CA-C 110.351 -1.1 . . . . 0.46 110.351 -178.442 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.675 HG21 HD22 ' A' ' 36' ' ' LEU . 46.8 mm -117.1 128.43 26.03 Favored Pre-proline 0 C--N 1.307 -1.249 0 N-CA-C 107.538 -1.282 . . . . 0.42 107.538 178.777 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.425 ' HD2' ' HA ' ' A' ' 21' ' ' ILE . 3.8 Cg_exo -34.36 127.93 0.19 Allowed 'Trans proline' 0 C--N 1.351 0.678 1 C-N-CA 125.609 4.206 . . . . 0.41 115.161 176.504 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 91.5 t -53.14 -39.19 32.67 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 CA-C-N 114.541 -1.209 . . . . 0.69 108.164 174.594 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -79.73 -16.85 54.85 Favored 'General case' 0 C--N 1.29 -2.015 0 CA-C-N 113.583 -1.644 . . . . 2.34 112.726 -173.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.424 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 28.0 t70 -90.09 -14.76 33.09 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 108.303 -0.999 . . . . 0.69 108.303 -179.709 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.537 HG13 HG11 ' A' ' 69' ' ' VAL . 48.6 t -82.81 77.93 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.288 0 CA-C-O 122.851 1.31 . . . . 0.4 109.407 177.681 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.576 ' O ' HG21 ' A' ' 69' ' ' VAL . 15.6 pttt -110.13 170.52 8.02 Favored 'General case' 0 N--CA 1.422 -1.848 0 CA-C-N 113.484 -1.689 . . . . 1.67 108.389 175.549 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.666 ' HA ' HG23 ' A' ' 69' ' ' VAL . 5.3 tt -73.71 4.34 5.23 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 114.945 1.461 . . . . 1.08 114.945 -163.666 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -99.95 -0.43 39.43 Favored 'General case' 0 C--N 1.286 -2.192 0 O-C-N 121.436 -0.79 . . . . 2.11 110.146 175.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.547 ' O ' HG22 ' A' ' 69' ' ' VAL . 74.9 mmtt -89.6 117.86 28.8 Favored 'General case' 0 N--CA 1.419 -1.982 0 N-CA-C 113.727 1.01 . . . . 1.02 113.727 -173.23 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.686 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 30.6 t -88.09 113.07 23.36 Favored 'General case' 0 N--CA 1.401 -2.895 0 N-CA-C 105.054 -2.202 . . . . 1.16 105.054 168.445 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.663 ' HA ' HD12 ' A' ' 36' ' ' LEU . 58.3 m-85 -29.55 -92.22 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 115.396 1.628 . . . . 0.36 115.396 178.029 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.39 45.97 0.91 Allowed 'General case' 0 C--N 1.281 -2.408 0 N-CA-C 114.409 1.263 . . . . 0.47 114.409 178.456 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -147.53 -57.72 0.25 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.119 -0.491 . . . . 0.73 111.029 177.147 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -91.49 -45.03 8.75 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.296 -0.631 . . . . 1.46 109.296 -177.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.675 HD22 HG21 ' A' ' 21' ' ' ILE . 90.4 mt -70.2 -49.53 49.33 Favored 'General case' 0 CA--C 1.509 -0.597 0 N-CA-C 106.88 -1.526 . . . . 0.58 106.88 174.445 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.4 t70 69.05 80.68 0.19 Allowed 'General case' 0 CA--C 1.505 -0.776 0 CA-C-N 113.86 -1.518 . . . . 1.14 111.199 172.311 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.656 HG11 ' HB1' ' A' ' 19' ' ' ALA . 3.9 p -117.61 -102.53 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.414 -2.235 0 C-N-CA 119.525 -0.87 . . . . 1.79 112.967 178.796 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.643 ' H ' HG13 ' A' ' 38' ' ' VAL . 15.0 t70 -141.32 169.51 17.48 Favored 'General case' 0 C--N 1.293 -1.886 0 N-CA-C 106.701 -1.592 . . . . 0.79 106.701 -175.325 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.454 ' O ' HG23 ' A' ' 44' ' ' VAL . 34.4 p -111.05 -42.23 4.02 Favored 'General case' 0 C--N 1.27 -2.889 0 O-C-N 123.712 0.633 . . . . 1.23 110.55 -170.424 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 90.2 mt -66.59 -30.84 71.22 Favored 'General case' 0 C--N 1.315 -0.916 0 N-CA-C 108.012 -1.107 . . . . 1.02 108.012 174.172 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.594 ' HB2' ' HB3' ' A' ' 39' ' ' ASP . 20.3 m -75.9 -30.38 58.78 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-N 115.139 -0.937 . . . . 1.02 109.315 175.352 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.515 ' O ' HG23 ' A' ' 47' ' ' VAL . 32.2 tpp -64.54 -37.3 87.07 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.734 -0.666 . . . . 0.55 110.118 -179.795 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.468 ' O ' ' HB ' ' A' ' 47' ' ' VAL . 43.6 t -64.56 -34.9 72.72 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 CA-C-N 115.939 -0.573 . . . . 0.56 110.329 179.269 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.644 ' HB2' HG21 ' A' ' 18' ' ' ILE . 25.4 mm-40 -69.21 -35.62 76.41 Favored 'General case' 0 N--CA 1.443 -0.821 0 N-CA-C 109.12 -0.696 . . . . 2.08 109.12 179.028 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 90.4 t -60.44 -46.67 94.89 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.501 0 N-CA-C 108.672 -0.862 . . . . 0.52 108.672 175.47 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.57 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 85.7 t -52.24 -64.02 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 O-C-N 123.914 0.759 . . . . 0.38 109.424 175.136 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 85.4 t -49.23 -45.8 18.09 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.249 0 C-N-CA 123.688 0.795 . . . . 0.58 112.031 179.124 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.1 -33.32 71.72 Favored 'General case' 0 C--N 1.321 -0.658 0 O-C-N 122.04 -0.412 . . . . 0.42 111.97 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.5 -38.35 89.46 Favored 'General case' 0 CA--C 1.506 -0.734 0 N-CA-C 109.078 -0.712 . . . . 0.38 109.078 176.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.57 ' HG3' ' O ' ' A' ' 47' ' ' VAL . 35.3 mt-10 -58.1 -41.9 84.54 Favored 'General case' 0 C--O 1.213 -0.851 0 CA-C-N 115.163 -0.926 . . . . 1.36 110.15 175.525 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -69.75 -42.37 73.99 Favored 'General case' 0 C--N 1.312 -1.042 0 C-N-CA 123.837 0.855 . . . . 2.09 111.455 177.859 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.475 ' HB2' HD11 ' A' ' 14' ' ' ILE . 2.3 tpm_? -66.25 -36.63 83.51 Favored 'General case' 0 C--N 1.311 -1.065 0 C-N-CA 124.512 1.125 . . . . 2.75 110.584 -172.858 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.504 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 43.5 m-85 -112.38 -8.51 13.9 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 113.22 0.822 . . . . 0.73 113.22 -174.62 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 66.39 8.0 5.38 Favored 'General case' 0 N--CA 1.504 2.262 0 C-N-CA 124.252 1.021 . . . . 2.02 111.552 -177.75 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.49 HG12 ' HB2' ' A' ' 54' ' ' PHE . 5.7 p -68.19 -45.84 82.28 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.39 0 C-N-CA 124.484 1.114 . . . . 1.61 113.584 -173.851 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.4 ' HD2' ' HB3' ' A' ' 51' ' ' GLU . 4.5 mmmp? 68.16 112.12 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.813 0 CA-C-O 122.119 0.961 . . . . 1.67 110.961 -171.794 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.614 HD11 HG12 ' A' ' 76' ' ' ILE . 40.6 mt -136.01 93.89 14.92 Favored Pre-proline 0 C--N 1.288 -2.078 0 N-CA-C 105.27 -2.122 . . . . 0.49 105.27 -177.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_endo -60.41 136.08 65.5 Favored 'Trans proline' 0 N--CA 1.452 -0.916 0 C-N-CA 122.012 1.808 . . . . 0.62 111.962 -175.837 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.557 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 25.8 t70 -40.89 -31.64 0.18 Allowed 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 124.803 1.241 . . . . 2.0 113.279 175.664 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -60.52 -56.79 17.16 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.783 0.801 . . . . 2.09 110.194 177.827 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -86.43 -20.63 27.89 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.14 -0.936 . . . . 1.58 111.54 -171.573 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.519 HG12 ' O ' ' A' ' 60' ' ' ASP . 3.8 p -63.81 -22.66 31.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.935 -0.575 . . . . 0.69 110.717 179.489 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.557 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 64.5 mttm -62.89 -19.7 64.43 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.845 -0.616 . . . . 2.44 112.12 -177.177 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 -82.38 -17.65 44.78 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.115 -0.493 . . . . 1.94 111.504 -178.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.717 HD13 ' HA ' ' A' ' 72' ' ' ALA . 69.1 mt -65.14 -66.38 0.55 Allowed 'General case' 0 N--CA 1.467 0.38 0 O-C-N 123.365 0.416 . . . . 1.67 111.758 -175.031 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt 73.3 -48.59 0.68 Allowed 'General case' 0 N--CA 1.491 1.59 0 C-N-CA 124.817 1.247 . . . . 3.18 112.889 178.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.686 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 35.0 p -107.46 162.2 14.15 Favored 'General case' 0 C--N 1.294 -1.806 0 CA-C-O 121.31 0.576 . . . . 0.51 112.155 -177.122 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.666 HG23 ' HA ' ' A' ' 28' ' ' LEU . 6.5 m -64.83 -37.6 80.6 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.284 0 CA-C-N 114.597 -1.183 . . . . 0.35 109.597 172.627 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.443 ' CA ' ' HG ' ' A' ' 28' ' ' LEU . . . -64.32 -46.62 90.18 Favored Glycine 0 N--CA 1.435 -1.371 0 CA-C-N 115.411 -0.813 . . . . 0.3 112.464 178.387 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.468 ' OD1' ' HA ' ' A' ' 66' ' ' LEU . 10.5 t70 -68.54 -35.59 77.65 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.646 -0.501 . . . . 1.79 109.646 -179.516 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.717 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -57.74 -59.33 5.37 Favored 'General case' 0 C--O 1.218 -0.561 0 N-CA-C 109.061 -0.718 . . . . 0.29 109.061 174.728 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.461 ' HA ' HG21 ' A' ' 7' ' ' ILE . 63.3 m -48.25 -46.58 35.77 Favored 'General case' 0 C--O 1.199 -1.584 0 C-N-CA 123.962 0.905 . . . . 0.31 112.249 172.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -61.15 -29.49 69.82 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-O 121.21 0.529 . . . . 2.93 111.849 178.77 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -77.22 -51.04 11.61 Favored 'General case' 0 C--N 1.31 -1.134 0 N-CA-C 107.115 -1.439 . . . . 0.53 107.115 177.799 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.614 HG12 HD11 ' A' ' 58' ' ' ILE . 72.4 mt -60.31 -51.27 74.96 Favored 'Isoleucine or valine' 0 C--O 1.187 -2.203 0 C-N-CA 124.54 1.136 . . . . 0.27 111.236 -178.455 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 31.0 tp -54.9 -35.74 64.44 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.015 0.526 . . . . 1.15 111.599 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -88.54 -28.25 20.89 Favored 'General case' 0 C--N 1.298 -1.669 0 CA-C-O 122.007 0.908 . . . . 0.67 111.385 -177.558 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 33.6 m-70 -99.18 5.75 46.66 Favored 'General case' 0 C--N 1.304 -1.403 0 CA-C-N 115.018 -0.992 . . . . 1.53 112.916 -177.435 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -39.06 139.41 0.48 Allowed 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 124.916 1.286 . . . . 0.89 113.311 178.257 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.431 -1.419 0 CA-C-N 115.29 -0.868 . . . . 2.36 109.182 178.139 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.579 ' O ' HG13 ' A' ' 7' ' ' ILE . 35.8 p . . . . . 0 N--CA 1.43 -1.426 0 N-CA-C 109.466 -0.568 . . . . 1.05 109.466 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.508 ' HA ' HD12 ' A' ' 7' ' ' ILE . 23.7 mt-30 -60.62 -26.19 66.83 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 112.848 0.684 . . . . 1.25 112.848 -174.593 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -67.72 -38.9 84.23 Favored 'General case' 0 C--N 1.307 -1.263 0 N-CA-C 109.407 -0.59 . . . . 2.3 109.407 176.165 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -71.52 -34.04 69.72 Favored 'General case' 0 N--CA 1.435 -1.209 0 N-CA-C 108.383 -0.969 . . . . 1.92 108.383 -178.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.637 HG21 ' HA ' ' A' ' 73' ' ' THR . 36.9 mt -63.46 -55.97 19.82 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.992 0 CA-C-N 114.899 -1.046 . . . . 0.29 108.926 177.072 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 70.5 t -55.53 -38.15 48.39 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.9 0 CA-C-N 116.296 -0.411 . . . . 0.32 110.93 176.508 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.34 -42.96 98.97 Favored 'General case' 0 C--O 1.242 0.692 0 CA-C-O 121.064 0.459 . . . . 0.32 110.037 177.542 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.4 -37.11 94.31 Favored Glycine 0 C--O 1.217 -0.909 0 CA-C-N 115.463 -0.79 . . . . 0.31 111.347 176.651 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.482 ' O ' HG23 ' A' ' 15' ' ' VAL . 70.5 mt -64.48 -49.82 69.9 Favored 'General case' 0 N--CA 1.434 -1.256 0 N-CA-C 109.985 -0.376 . . . . 0.29 109.985 175.676 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.404 ' HB1' HG13 ' A' ' 23' ' ' VAL . . . -54.13 -43.29 70.38 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 123.677 0.791 . . . . 0.24 111.952 -179.275 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -64.52 -43.21 94.76 Favored 'General case' 0 C--O 1.239 0.509 0 N-CA-C 112.779 0.659 . . . . 1.46 112.779 179.051 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.541 HD11 ' HG2' ' A' ' 53' ' ' ARG . 96.4 mt -65.31 -46.93 89.05 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.194 0 CA-C-O 121.399 0.619 . . . . 0.41 110.392 179.066 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.648 HG12 ' HB ' ' A' ' 21' ' ' ILE . 98.9 t -58.74 -36.73 62.0 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 CA-C-N 115.436 -0.802 . . . . 0.29 110.919 -179.75 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -66.08 -34.27 77.7 Favored 'General case' 0 C--N 1.305 -1.334 0 C-N-CA 120.258 -0.577 . . . . 0.64 111.275 179.432 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -77.37 -50.32 13.02 Favored 'General case' 0 C--N 1.307 -1.241 0 CA-C-N 116.142 -0.481 . . . . 2.0 111.286 -179.098 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.536 HG21 ' HB2' ' A' ' 45' ' ' GLU . 80.6 mt -86.39 -53.5 10.19 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 N-CA-C 112.556 0.576 . . . . 0.28 112.556 -174.365 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.526 ' HB2' HG13 ' A' ' 38' ' ' VAL . . . -76.87 -32.27 57.38 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.239 0.542 . . . . 0.34 110.136 -177.883 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.22 31.06 29.23 Favored Glycine 0 CA--C 1.494 -1.221 0 N-CA-C 110.485 -1.046 . . . . 0.46 110.485 -178.35 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.648 ' HB ' HG12 ' A' ' 15' ' ' VAL . 46.9 mm -108.13 128.91 24.85 Favored Pre-proline 0 C--N 1.305 -1.359 0 CA-C-N 115.556 -0.322 . . . . 0.42 110.5 -176.079 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.441 ' HD2' ' HA ' ' A' ' 21' ' ' ILE . 16.3 Cg_exo -31.97 127.24 0.09 OUTLIER 'Trans proline' 0 N--CA 1.451 -1.029 1 C-N-CA 125.495 4.13 . . . . 0.41 114.035 172.201 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.404 HG13 ' HB1' ' A' ' 12' ' ' ALA . 84.1 t -57.74 -26.06 26.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 114.616 -1.175 . . . . 0.69 109.603 178.219 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -95.59 -8.92 33.63 Favored 'General case' 0 N--CA 1.426 -1.669 0 CA-C-N 115.454 -0.794 . . . . 2.34 112.421 -176.858 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.45 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 33.6 t70 -85.02 -26.58 26.96 Favored 'General case' 0 CA--C 1.504 -0.797 0 N-CA-C 106.981 -1.488 . . . . 0.69 106.981 177.045 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.535 HG13 HG11 ' A' ' 69' ' ' VAL . 73.5 t -73.4 84.79 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.716 0 CA-C-N 113.972 -1.467 . . . . 0.4 109.508 175.078 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.576 ' O ' HG21 ' A' ' 69' ' ' VAL . 87.4 mttt -95.01 -146.1 0.27 Allowed 'General case' 0 C--N 1.299 -1.629 0 CA-C-N 113.882 -1.508 . . . . 1.67 107.273 177.824 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.448 ' O ' HD23 ' A' ' 28' ' ' LEU . 6.0 tt -113.38 -18.46 12.02 Favored 'General case' 0 C--N 1.309 -1.183 0 CA-C-N 119.512 1.051 . . . . 1.08 111.772 -176.548 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -86.98 -7.08 58.5 Favored 'General case' 0 C--N 1.303 -1.455 0 CA-C-O 122.893 1.33 . . . . 2.11 109.474 178.838 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.652 ' O ' HG22 ' A' ' 69' ' ' VAL . 32.9 mmtm -76.45 100.09 5.11 Favored 'General case' 0 C--N 1.295 -1.799 0 CA-C-N 113.424 -1.716 . . . . 1.02 114.435 -172.261 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.668 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 8.0 m -73.6 110.42 7.87 Favored 'General case' 0 N--CA 1.399 -2.983 0 N-CA-C 106.808 -1.552 . . . . 1.16 106.808 170.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.847 ' HA ' HD12 ' A' ' 36' ' ' LEU . 95.1 m-85 -31.38 -80.9 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.674 1.19 . . . . 0.36 113.9 177.058 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.434 HG23 ' HB ' ' A' ' 38' ' ' VAL . 0.2 OUTLIER -79.76 48.34 0.93 Allowed 'General case' 0 C--N 1.297 -1.698 0 N-CA-C 114.353 1.242 . . . . 0.47 114.353 -179.824 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.668 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 23.9 t70 -158.57 -61.72 0.08 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.803 -0.635 . . . . 0.73 110.981 178.714 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.462 ' HB3' ' HD3' ' A' ' 30' ' ' LYS . 1.8 t70 -94.74 -34.34 12.57 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 116.121 -0.491 . . . . 1.46 110.052 -175.235 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.847 HD12 ' HA ' ' A' ' 32' ' ' PHE . 91.6 mt -79.91 -42.59 23.79 Favored 'General case' 0 C--O 1.243 0.753 0 CA-C-N 116.132 -0.486 . . . . 0.58 110.398 178.086 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.1 t70 74.45 85.28 0.1 Allowed 'General case' 0 CA--C 1.505 -0.781 0 O-C-N 124.623 1.202 . . . . 1.14 110.303 -175.799 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.526 HG13 ' HB2' ' A' ' 19' ' ' ALA . 86.7 t -94.11 -93.6 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.299 -1.594 0 CA-C-N 114.171 -1.377 . . . . 1.79 108.53 -179.577 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.3 t70 170.93 176.04 0.06 Allowed 'General case' 0 CA--C 1.494 -1.197 0 N-CA-C 103.534 -2.765 . . . . 0.79 103.534 -178.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.7 t -92.46 -37.12 12.71 Favored 'General case' 0 C--N 1.266 -3.061 0 N-CA-C 109.155 -0.683 . . . . 1.23 109.155 -175.436 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 91.2 mt -82.59 -34.79 27.57 Favored 'General case' 0 C--N 1.306 -1.319 0 CA-C-N 115.747 -0.661 . . . . 1.02 109.543 -176.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.454 ' HB3' HG22 ' A' ' 18' ' ' ILE . 15.2 m -70.65 -23.48 62.52 Favored 'General case' 0 N--CA 1.436 -1.161 0 CA-C-N 114.978 -1.01 . . . . 1.02 109.608 -179.278 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.506 ' HB2' ' HE2' ' A' ' 43' ' ' MET . 24.0 tpp -61.31 -48.4 81.51 Favored 'General case' 0 N--CA 1.438 -1.065 0 CA-C-N 115.593 -0.73 . . . . 0.55 110.949 179.393 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.402 ' O ' HG23 ' A' ' 48' ' ' VAL . 57.7 t -67.86 -24.71 31.0 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.519 0 CA-C-N 115.449 -0.796 . . . . 0.56 110.762 -177.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.536 ' HB2' HG21 ' A' ' 18' ' ' ILE . 37.0 mt-10 -73.26 -36.63 66.4 Favored 'General case' 0 N--CA 1.431 -1.422 0 N-CA-C 108.575 -0.898 . . . . 2.08 108.575 178.763 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 42' ' ' SER . 85.4 t -61.32 -47.34 93.94 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.588 0 N-CA-C 108.5 -0.926 . . . . 0.52 108.5 174.512 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.584 HG13 HG21 ' A' ' 63' ' ' VAL . 97.9 t -52.85 -64.8 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 O-C-N 124.01 0.819 . . . . 0.38 109.886 177.767 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 44' ' ' VAL . 85.2 t -45.83 -52.74 2.6 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 C-N-CA 123.489 0.716 . . . . 0.58 112.286 175.389 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.02 -33.46 76.1 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 112.347 0.499 . . . . 0.42 112.347 -177.61 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.21 -36.7 84.93 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.903 0.383 . . . . 0.38 110.415 179.219 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.652 ' HG2' ' H ' ' A' ' 58' ' ' ILE . 32.6 mt-10 -61.94 -31.56 71.9 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-O 121.901 0.858 . . . . 1.36 110.272 179.715 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -82.59 -47.47 12.07 Favored 'General case' 0 C--N 1.302 -1.488 0 CA-C-N 114.736 -1.12 . . . . 2.09 109.913 -179.359 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.541 ' HG2' HD11 ' A' ' 14' ' ' ILE . 52.4 tpt85 -71.56 -34.3 69.86 Favored 'General case' 0 C--N 1.317 -0.816 0 C-N-CA 123.796 0.839 . . . . 2.75 112.328 -173.599 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.473 ' CD2' HG21 ' A' ' 76' ' ' ILE . 88.9 m-85 -100.31 -2.06 34.59 Favored 'General case' 0 C--N 1.298 -1.656 0 CA-C-N 115.975 -0.557 . . . . 0.73 111.428 -177.385 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 36.4 t70 69.51 -5.61 1.13 Allowed 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 123.971 0.908 . . . . 2.02 112.803 178.177 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.593 ' O ' ' HA ' ' A' ' 51' ' ' GLU . 8.1 p -106.61 126.31 62.43 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.88 0 O-C-N 121.885 -0.509 . . . . 1.61 110.699 -177.821 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.0 mmmp? -70.18 123.39 21.5 Favored 'General case' 0 C--N 1.307 -1.246 0 CA-C-N 115.61 -0.723 . . . . 1.67 110.086 178.067 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.694 HG22 HG23 ' A' ' 63' ' ' VAL . 47.3 mt -132.42 103.44 13.71 Favored Pre-proline 0 C--N 1.304 -1.382 0 N-CA-C 107.131 -1.433 . . . . 0.49 107.131 -178.414 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -81.73 156.12 18.29 Favored 'Trans proline' 0 N--CA 1.433 -2.066 0 C-N-CA 121.219 1.279 . . . . 0.62 112.133 -177.838 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.639 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 3.5 m-20 -35.59 -48.26 0.51 Allowed 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 125.075 1.35 . . . . 2.0 111.587 174.043 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -49.42 -53.84 20.6 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.927 0.891 . . . . 2.09 113.146 -178.701 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.433 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 21.1 m-20 -75.3 -33.48 61.2 Favored 'General case' 0 CA--C 1.49 -1.356 0 CA-C-O 120.98 0.419 . . . . 1.58 110.432 -178.049 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.694 HG23 HG22 ' A' ' 58' ' ' ILE . 2.2 t -55.47 -32.3 29.65 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.214 0 CA-C-N 115.204 -0.907 . . . . 0.69 111.272 176.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.639 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 95.5 mttt -68.38 -19.99 64.66 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.497 -0.774 . . . . 2.44 112.291 179.6 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 45.1 m-20 -94.45 -6.08 44.79 Favored 'General case' 0 C--N 1.309 -1.187 0 N-CA-C 109.01 -0.737 . . . . 1.94 109.01 -178.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.878 HD13 ' HA ' ' A' ' 72' ' ' ALA . 58.7 mt -92.19 -66.09 0.95 Allowed 'General case' 0 N--CA 1.43 -1.446 0 CA-C-N 115.565 -0.743 . . . . 1.67 109.721 -177.355 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . 0.437 0.0 OUTLIER 54.76 -6.34 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 117.874 2.546 . . . . 3.18 117.874 -179.735 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.616 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 61.5 p -128.82 170.69 13.06 Favored 'General case' 0 CA--C 1.493 -1.243 0 O-C-N 121.405 -0.81 . . . . 0.51 109.776 173.351 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.652 HG22 ' O ' ' A' ' 30' ' ' LYS . 2.2 m -65.45 -47.55 86.33 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.738 0 CA-C-N 114.498 -1.228 . . . . 0.35 110.349 172.115 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -62.19 -42.97 99.73 Favored Glycine 0 CA--C 1.498 -0.986 0 CA-C-N 116.198 -0.455 . . . . 0.3 112.368 -179.109 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.43 ' HB3' ' HA ' ' A' ' 66' ' ' LEU . 5.7 m-20 -68.32 -39.11 82.08 Favored 'General case' 0 CA--C 1.5 -0.952 0 CA-C-O 119.673 -0.204 . . . . 1.79 111.208 178.42 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.878 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -56.93 -55.13 38.54 Favored 'General case' 0 CA--C 1.51 -0.566 0 N-CA-C 108.354 -0.98 . . . . 0.29 108.354 175.726 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.637 ' HA ' HG21 ' A' ' 7' ' ' ILE . 91.4 m -48.32 -48.55 36.01 Favored 'General case' 0 N--CA 1.434 -1.23 0 C-N-CA 124.766 1.226 . . . . 0.31 112.536 173.266 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -61.45 -30.3 70.5 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 120.758 0.313 . . . . 2.93 111.64 -179.463 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.475 ' HB2' HD21 ' A' ' 66' ' ' LEU . 57.8 t80 -76.7 -44.71 32.42 Favored 'General case' 0 CA--C 1.492 -1.26 0 N-CA-C 107.52 -1.289 . . . . 0.53 107.52 177.085 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.575 HG12 HD11 ' A' ' 58' ' ' ILE . 84.7 mt -61.72 -49.92 82.35 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.717 0 CA-C-N 115.299 -0.864 . . . . 0.27 110.46 -178.727 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -55.93 -41.06 74.02 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-O 121.133 0.492 . . . . 1.15 110.998 179.106 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -81.09 -39.26 25.95 Favored 'General case' 0 C--N 1.299 -1.611 0 CA-C-N 115.586 -0.734 . . . . 0.67 112.715 -175.46 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -101.36 -3.45 28.77 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 115.011 1.486 . . . . 1.53 115.011 -172.389 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -80.9 -177.27 6.31 Favored 'General case' 0 CA--C 1.51 -0.578 0 C-N-CA 118.873 -1.131 . . . . 0.89 111.958 -174.824 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.406 -2.667 0 N-CA-C 107.681 -1.229 . . . . 2.36 107.681 177.889 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.501 ' O ' HG13 ' A' ' 7' ' ' ILE . 0.3 OUTLIER . . . . . 0 N--CA 1.413 -2.314 0 N-CA-C 106.667 -1.605 . . . . 1.05 106.667 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -49.75 -37.65 30.56 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.212 0.605 . . . . 1.25 111.811 -175.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -63.14 -36.49 83.78 Favored 'General case' 0 C--N 1.305 -1.363 0 C-N-CA 124.091 0.956 . . . . 2.3 109.871 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -73.12 -32.4 64.92 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.261 -0.644 . . . . 1.92 109.261 178.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.554 ' HB ' HG23 ' A' ' 73' ' ' THR . 20.5 mt -68.23 -52.72 35.0 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.251 0 N-CA-C 107.675 -1.232 . . . . 0.29 107.675 178.447 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 74.1 t -55.93 -44.5 78.24 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.178 0 CA-C-N 115.679 -0.691 . . . . 0.32 110.382 175.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.84 -34.85 78.85 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.145 0.498 . . . . 0.32 110.81 177.368 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.32 -44.38 90.77 Favored Glycine 0 C--O 1.211 -1.292 0 N-CA-C 110.151 -1.179 . . . . 0.31 110.151 177.048 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 95.7 mt -59.96 -45.26 93.25 Favored 'General case' 0 C--N 1.312 -1.058 0 N-CA-C 109.235 -0.654 . . . . 0.29 109.235 175.718 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.473 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -55.51 -45.39 77.09 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-N 115.356 -0.838 . . . . 0.24 111.922 178.775 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -69.61 -32.12 70.66 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.728 0.64 . . . . 1.46 112.728 -179.506 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.4 mt -67.57 -54.04 26.69 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.232 0 N-CA-C 108.388 -0.967 . . . . 0.41 108.388 175.253 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.644 HG12 ' HB ' ' A' ' 21' ' ' ILE . 71.5 t -58.72 -41.57 82.82 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.237 0 CA-C-N 114.909 -1.041 . . . . 0.29 111.225 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -63.96 -33.17 75.12 Favored 'General case' 0 C--N 1.301 -1.53 0 CA-C-O 120.957 0.408 . . . . 0.64 111.649 179.374 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -77.89 -50.73 11.66 Favored 'General case' 0 C--N 1.304 -1.382 0 CA-C-N 115.606 -0.725 . . . . 2.0 110.852 -179.16 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.709 HG21 ' HB2' ' A' ' 45' ' ' GLU . 61.4 mt -88.91 -53.76 8.94 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.053 0 N-CA-C 112.513 0.56 . . . . 0.28 112.513 -173.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.77 ' HB2' HG13 ' A' ' 38' ' ' VAL . . . -74.05 -37.51 64.26 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 121.541 0.686 . . . . 0.34 109.737 -178.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.39 25.37 28.52 Favored Glycine 0 N--CA 1.447 -0.583 0 CA-C-N 114.966 -1.015 . . . . 0.46 110.828 -178.121 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.644 ' HB ' HG12 ' A' ' 15' ' ' VAL . 49.8 mm -99.93 130.93 25.29 Favored Pre-proline 0 C--N 1.311 -1.076 0 O-C-N 122.785 -0.244 . . . . 0.42 110.73 -176.517 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.505 ' HD2' ' HA ' ' A' ' 21' ' ' ILE . 7.5 Cg_exo -32.96 125.95 0.11 Allowed 'Trans proline' 0 C--N 1.358 1.052 1 C-N-CA 125.817 4.345 . . . . 0.41 114.627 173.692 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.473 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 85.9 t -57.82 -29.58 35.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 114.182 -1.372 . . . . 0.69 109.739 178.621 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -104.15 11.14 35.44 Favored 'General case' 0 N--CA 1.42 -1.93 0 N-CA-C 112.916 0.71 . . . . 2.34 112.916 -176.686 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.417 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 16.0 t70 -97.44 -26.38 14.87 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 105.441 -2.059 . . . . 0.69 105.441 170.042 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.563 HG13 HG11 ' A' ' 69' ' ' VAL . 58.4 t -74.03 87.1 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.962 0 CA-C-N 113.948 -1.478 . . . . 0.4 109.333 175.814 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.488 ' O ' HG21 ' A' ' 69' ' ' VAL . 94.4 mttt -98.25 -142.29 0.31 Allowed 'General case' 0 C--N 1.293 -1.871 0 CA-C-N 113.483 -1.689 . . . . 1.67 108.091 178.241 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.1 tt -116.16 -20.63 9.76 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-N 119.407 1.003 . . . . 1.08 111.504 -176.568 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -84.39 -11.99 55.27 Favored 'General case' 0 C--N 1.302 -1.471 0 CA-C-O 122.344 1.068 . . . . 2.11 109.531 -179.228 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.714 ' O ' HG22 ' A' ' 69' ' ' VAL . 55.8 mmtt -73.71 120.04 18.76 Favored 'General case' 0 C--N 1.293 -1.885 0 CA-C-N 114.23 -1.35 . . . . 1.02 114.609 -170.349 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.413 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 23.7 m -79.96 109.48 14.44 Favored 'General case' 0 N--CA 1.399 -3.015 0 N-CA-C 107.493 -1.299 . . . . 1.16 107.493 170.839 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.853 ' HA ' HD12 ' A' ' 36' ' ' LEU . 45.5 m-85 -31.49 -89.27 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.701 0 C-N-CA 124.627 1.171 . . . . 0.36 114.085 175.217 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.498 HG23 ' HE2' ' A' ' 43' ' ' MET . 0.0 OUTLIER -75.91 58.73 1.18 Allowed 'General case' 0 C--N 1.29 -1.995 0 N-CA-C 113.171 0.804 . . . . 0.47 113.171 177.845 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.413 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 26.7 t70 -167.76 -64.61 0.03 OUTLIER 'General case' 0 C--O 1.217 -0.641 0 CA-C-N 116.037 -0.529 . . . . 0.73 111.447 177.711 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -88.77 -45.24 9.94 Favored 'General case' 0 CA--C 1.501 -0.911 0 N-CA-C 109.022 -0.733 . . . . 1.46 109.022 -176.133 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.853 HD12 ' HA ' ' A' ' 32' ' ' PHE . 94.1 mt -69.53 -47.79 62.61 Favored 'General case' 0 CA--C 1.504 -0.796 0 N-CA-C 107.483 -1.303 . . . . 0.58 107.483 175.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 38.8 t70 72.41 91.11 0.09 Allowed 'General case' 0 CA--C 1.506 -0.746 0 CA-C-N 113.666 -1.606 . . . . 1.14 110.655 178.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.77 HG13 ' HB2' ' A' ' 19' ' ' ALA . 95.9 t -93.87 -90.63 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.291 -1.964 0 CA-C-N 113.126 -1.852 . . . . 1.79 108.552 -174.222 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.532 ' HB3' ' CB ' ' A' ' 42' ' ' SER . 9.5 t70 171.07 172.08 0.08 Allowed 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 104.394 -2.447 . . . . 0.79 104.394 -179.74 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.49 -43.12 17.59 Favored 'General case' 0 C--N 1.258 -3.375 0 N-CA-C 108.258 -1.016 . . . . 1.23 108.258 -173.713 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 93.4 mt -86.8 -35.3 19.2 Favored 'General case' 0 C--N 1.301 -1.512 0 CA-C-N 114.029 -1.442 . . . . 1.02 110.368 -175.323 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.573 ' OG ' HG22 ' A' ' 18' ' ' ILE . 23.0 t -61.86 -31.23 71.48 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.662 -1.154 . . . . 1.02 108.66 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.5 ' O ' HG23 ' A' ' 47' ' ' VAL . 30.2 tpp -60.65 -39.74 89.46 Favored 'General case' 0 N--CA 1.436 -1.144 0 CA-C-N 114.768 -1.106 . . . . 0.55 111.749 178.821 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 38.7 t -70.96 -29.44 37.22 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-O 121.263 0.554 . . . . 0.56 109.754 -175.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.709 ' HB2' HG21 ' A' ' 18' ' ' ILE . 5.7 mm-40 -72.22 -40.74 67.55 Favored 'General case' 0 N--CA 1.427 -1.592 0 N-CA-C 107.704 -1.221 . . . . 2.08 107.704 178.1 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 42' ' ' SER . 92.4 t -56.37 -50.11 73.62 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-N 115.594 -0.73 . . . . 0.52 109.413 175.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 43' ' ' MET . 94.5 t -50.28 -63.53 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 O-C-N 123.911 0.757 . . . . 0.38 109.756 176.337 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 97.1 t -51.97 -47.11 42.24 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.403 0 CA-C-N 115.899 -0.591 . . . . 0.58 112.54 178.516 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.36 -25.83 66.17 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.44 0.533 . . . . 0.42 112.44 -178.718 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.83 -35.14 79.38 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.093 0.473 . . . . 0.38 110.014 178.207 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.666 ' HG2' ' H ' ' A' ' 58' ' ' ILE . 31.3 mt-10 -65.77 -24.66 66.99 Favored 'General case' 0 C--O 1.213 -0.844 0 C-N-CA 123.664 0.786 . . . . 1.36 109.515 178.16 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -83.54 -48.67 10.02 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-O 121.321 0.582 . . . . 2.09 109.501 175.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.3 tpm_? -68.09 -34.12 75.81 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 123.763 0.825 . . . . 2.75 111.519 -172.523 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.481 ' CD2' HD13 ' A' ' 76' ' ' ILE . 38.8 m-85 -114.07 -3.52 13.28 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-N 115.912 -0.585 . . . . 0.73 112.006 -176.126 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.0 t70 72.3 -23.24 0.2 Allowed 'General case' 0 N--CA 1.506 2.338 0 C-N-CA 125.698 1.599 . . . . 2.02 112.269 -179.64 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.499 ' O ' ' HA ' ' A' ' 51' ' ' GLU . 4.8 p -75.66 122.23 29.12 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.114 0 CA-C-O 121.241 0.543 . . . . 1.61 110.32 -175.476 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.5 tptm -72.34 113.24 9.16 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 107.772 -1.196 . . . . 1.67 107.772 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.666 ' H ' ' HG2' ' A' ' 51' ' ' GLU . 37.9 mt -116.86 99.48 52.92 Favored Pre-proline 0 C--N 1.298 -1.671 0 N-CA-C 106.359 -1.719 . . . . 0.49 106.359 -178.2 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -69.5 133.86 27.09 Favored 'Trans proline' 0 N--CA 1.446 -1.298 0 C-N-CA 122.087 1.858 . . . . 0.62 113.555 -173.645 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.402 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 3.0 t70 -37.53 -33.25 0.07 Allowed 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 125.771 1.628 . . . . 2.0 113.956 172.529 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.497 ' HA ' ' HE2' ' A' ' 64' ' ' LYS . 27.3 t70 -75.12 -46.3 35.42 Favored 'General case' 0 C--N 1.296 -1.741 0 N-CA-C 112.109 0.411 . . . . 2.09 112.109 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -86.64 -21.79 26.53 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-O 121.716 0.77 . . . . 1.58 110.916 -174.19 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 6.0 p -65.01 -21.49 29.58 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.871 0 CA-C-N 115.392 -0.822 . . . . 0.69 110.679 178.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.497 ' HE2' ' HA ' ' A' ' 61' ' ' ASP . 57.6 mttm -63.14 -9.97 13.01 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 115.503 -0.772 . . . . 2.44 112.916 -176.313 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -94.77 -4.09 47.92 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 120.571 0.224 . . . . 1.94 111.474 -179.065 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.843 HD13 ' HA ' ' A' ' 72' ' ' ALA . 72.8 mt -84.54 -69.96 0.61 Allowed 'General case' 0 C--O 1.217 -0.64 0 N-CA-C 112.07 0.396 . . . . 1.67 112.07 -175.554 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . 0.412 0.0 OUTLIER 62.41 -29.65 0.08 Allowed 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 117.0 2.222 . . . . 3.18 117.0 177.279 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 65.9 p -110.2 166.17 11.17 Favored 'General case' 0 CA--C 1.485 -1.541 0 O-C-N 121.514 -0.741 . . . . 0.51 109.823 174.815 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.714 HG22 ' O ' ' A' ' 30' ' ' LYS . 4.0 m -68.2 -39.59 81.43 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.015 0 CA-C-N 114.708 -1.133 . . . . 0.35 109.799 173.849 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -62.41 -47.97 85.63 Favored Glycine 0 N--CA 1.438 -1.174 0 CA-C-N 116.031 -0.531 . . . . 0.3 112.101 177.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -65.7 -39.63 91.43 Favored 'General case' 0 CA--C 1.5 -0.947 0 CA-C-N 116.714 0.257 . . . . 1.79 111.359 179.037 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.843 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -56.72 -58.65 7.18 Favored 'General case' 0 CA--C 1.516 -0.336 0 N-CA-C 109.085 -0.709 . . . . 0.29 109.085 176.067 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.554 HG23 ' HB ' ' A' ' 7' ' ' ILE . 87.3 m -48.23 -51.5 25.24 Favored 'General case' 0 C--O 1.189 -2.103 0 C-N-CA 123.953 0.901 . . . . 0.31 111.881 173.21 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.427 ' HE2' ' HB3' ' A' ' 74' ' ' LYS . 3.9 tmmm? -54.24 -35.82 62.88 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 123.862 0.865 . . . . 2.93 111.788 179.302 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.423 ' HB2' HD21 ' A' ' 66' ' ' LEU . 37.3 t80 -71.53 -54.02 11.9 Favored 'General case' 0 C--O 1.199 -1.579 0 N-CA-C 107.789 -1.189 . . . . 0.53 107.789 178.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.503 HG12 HD11 ' A' ' 58' ' ' ILE . 71.0 mt -57.96 -48.94 82.84 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.282 0 C-N-CA 124.566 1.146 . . . . 0.27 110.823 -179.145 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 55.0 tp -51.0 -40.11 57.31 Favored 'General case' 0 C--N 1.307 -1.277 0 C-N-CA 124.388 1.075 . . . . 1.15 111.386 178.232 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -88.23 -41.78 12.71 Favored 'General case' 0 C--N 1.303 -1.438 0 CA-C-O 121.697 0.761 . . . . 0.67 111.508 -177.831 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 62.7 m-70 -84.36 5.68 26.06 Favored 'General case' 0 C--N 1.296 -1.745 0 CA-C-N 114.526 -1.215 . . . . 1.53 113.75 -173.723 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 34.2 mm-40 -37.32 126.5 1.03 Allowed 'General case' 0 N--CA 1.491 1.596 0 C-N-CA 123.929 0.892 . . . . 0.89 111.084 174.317 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.299 -1.607 0 N-CA-C 108.048 -1.093 . . . . 2.36 108.048 179.482 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.606 ' O ' HG13 ' A' ' 7' ' ' ILE . 0.3 OUTLIER . . . . . 0 N--CA 1.432 -1.362 0 N-CA-C 107.527 -1.286 . . . . 1.05 107.527 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.49 ' O ' HG23 ' A' ' 8' ' ' VAL . 69.8 mt-30 -54.7 -40.19 68.94 Favored 'General case' 0 C--O 1.214 -0.78 0 N-CA-C 112.962 0.727 . . . . 1.25 112.962 -169.807 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -82.15 -23.43 35.6 Favored 'General case' 0 C--N 1.287 -2.115 0 CA-C-O 121.157 0.504 . . . . 2.3 110.8 -175.47 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.518 ' HB3' ' O ' ' A' ' 3' ' ' THR . 36.0 tt0 -67.2 -35.72 80.21 Favored 'General case' 0 C--N 1.31 -1.137 0 N-CA-C 107.658 -1.238 . . . . 1.92 107.658 172.801 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.606 HG13 ' O ' ' A' ' 3' ' ' THR . 26.2 mt -68.13 -52.81 34.47 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.077 0 N-CA-C 107.717 -1.216 . . . . 0.29 107.717 174.429 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.772 HG21 HD11 ' A' ' 28' ' ' LEU . 93.1 t -52.51 -41.57 36.83 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.851 0 C-N-CA 123.252 0.621 . . . . 0.32 111.521 177.734 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.36 -36.55 84.08 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.955 0.407 . . . . 0.32 110.224 177.608 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.84 -41.93 87.4 Favored Glycine 0 C--O 1.206 -1.595 0 N-CA-C 110.404 -1.078 . . . . 0.31 110.404 176.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.523 ' O ' HG23 ' A' ' 15' ' ' VAL . 85.1 mt -62.81 -49.07 76.41 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-O 120.59 0.233 . . . . 0.29 110.433 176.625 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.96 -44.75 67.36 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 124.189 0.996 . . . . 0.24 111.874 -178.441 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.495 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 16.8 pt-20 -66.57 -38.67 87.56 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 120.393 -0.523 . . . . 1.46 112.16 -179.449 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 90.3 mt -63.91 -47.32 91.14 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.959 0 C-N-CA 123.411 0.684 . . . . 0.41 109.415 176.772 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 11' ' ' LEU . 83.9 t -56.88 -36.33 49.62 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.793 0 CA-C-N 115.354 -0.839 . . . . 0.29 110.89 179.401 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -71.54 -29.91 65.29 Favored 'General case' 0 C--N 1.299 -1.617 0 CA-C-O 120.929 0.395 . . . . 0.64 111.37 -178.833 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.495 ' HG2' ' O ' ' A' ' 13' ' ' GLU . 68.8 mm-40 -76.93 -46.73 23.2 Favored 'General case' 0 N--CA 1.434 -1.257 0 CA-C-N 116.162 -0.472 . . . . 2.0 111.218 179.694 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.566 HG21 ' HB2' ' A' ' 45' ' ' GLU . 72.9 mt -90.84 -53.69 8.57 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.237 0 CA-C-N 115.631 -0.713 . . . . 0.28 112.334 -173.134 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.572 ' HB2' HG13 ' A' ' 38' ' ' VAL . . . -79.27 -39.88 31.91 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.261 0.553 . . . . 0.34 109.717 -178.009 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 92.97 20.43 33.5 Favored Glycine 0 N--CA 1.445 -0.701 0 CA-C-N 115.337 -0.847 . . . . 0.46 111.056 -178.247 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.523 ' HB ' HG12 ' A' ' 15' ' ' VAL . 49.0 mm -96.84 136.13 21.8 Favored Pre-proline 0 C--N 1.31 -1.114 0 N-CA-C 110.134 -0.321 . . . . 0.42 110.134 -176.308 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.489 ' HD2' ' HA ' ' A' ' 21' ' ' ILE . 2.8 Cg_exo -35.68 126.12 0.31 Allowed 'Trans proline' 0 C--N 1.357 1.009 0 C-N-CA 125.25 3.967 . . . . 0.41 114.214 174.022 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 92.4 t -63.02 -19.76 24.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 114.635 -1.166 . . . . 0.69 109.191 178.252 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -96.74 -8.1 32.17 Favored 'General case' 0 N--CA 1.418 -2.027 0 CA-C-N 114.581 -1.191 . . . . 2.34 111.934 -176.432 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.442 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 9.1 t70 -92.16 -18.12 23.94 Favored 'General case' 0 C--N 1.314 -0.949 0 N-CA-C 108.002 -1.11 . . . . 0.69 108.002 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.582 HG13 HG11 ' A' ' 69' ' ' VAL . 56.1 t -77.48 87.25 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.436 -1.174 0 CA-C-N 114.169 -1.378 . . . . 0.4 109.311 177.208 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -96.24 -136.98 0.24 Allowed 'General case' 0 C--N 1.298 -1.65 0 CA-C-N 113.578 -1.646 . . . . 1.67 107.209 177.496 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.772 HD11 HG21 ' A' ' 8' ' ' VAL . 7.7 mp -122.41 -13.66 8.0 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 119.144 0.883 . . . . 1.08 113.145 174.281 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -85.88 -12.61 50.24 Favored 'General case' 0 C--N 1.304 -1.377 0 CA-C-O 122.163 0.982 . . . . 2.11 109.678 -178.145 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.681 ' O ' HG22 ' A' ' 69' ' ' VAL . 61.7 mmtt -78.9 125.86 29.94 Favored 'General case' 0 C--N 1.3 -1.57 0 CA-C-N 113.967 -1.47 . . . . 1.02 112.396 -171.049 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.52 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 4.2 m -91.54 109.56 20.86 Favored 'General case' 0 N--CA 1.397 -3.125 0 N-CA-C 106.236 -1.764 . . . . 1.16 106.236 173.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.658 ' HA ' HD12 ' A' ' 36' ' ' LEU . 54.9 m-85 -28.06 -84.16 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 124.768 1.227 . . . . 0.36 114.191 178.692 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.704 HG23 ' HB ' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -81.86 67.14 7.73 Favored 'General case' 0 C--N 1.291 -1.971 0 N-CA-C 114.126 1.158 . . . . 0.47 114.126 177.132 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.487 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 22.1 t70 -175.03 -57.0 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.381 -0.827 . . . . 0.73 109.47 175.459 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -86.05 -41.15 15.05 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.215 -0.902 . . . . 1.46 110.887 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.658 HD12 ' HA ' ' A' ' 32' ' ' PHE . 89.6 mt -84.95 -50.05 7.82 Favored 'General case' 0 C--N 1.315 -0.916 0 N-CA-C 109.377 -0.601 . . . . 0.58 109.377 179.439 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.2 t70 82.08 90.08 0.04 OUTLIER 'General case' 0 CA--C 1.502 -0.866 0 C-N-CA 125.281 1.432 . . . . 1.14 111.318 -178.62 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.704 ' HB ' HG23 ' A' ' 33' ' ' THR . 63.8 t -104.39 -95.39 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.298 -1.639 0 CA-C-N 114.109 -1.405 . . . . 1.79 109.491 -176.086 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.415 ' O ' ' HB2' ' A' ' 43' ' ' MET . 11.8 t70 173.32 -177.77 0.07 Allowed 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 103.332 -2.84 . . . . 0.79 103.332 -178.129 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 41.3 t -93.23 -42.53 9.3 Favored 'General case' 0 C--N 1.278 -2.508 0 N-CA-C 108.365 -0.976 . . . . 1.23 108.365 -179.661 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 57.2 mt -78.44 -33.62 48.36 Favored 'General case' 0 N--CA 1.431 -1.386 0 CA-C-N 114.841 -1.072 . . . . 1.02 109.734 -174.614 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.503 ' HB2' HG12 ' A' ' 38' ' ' VAL . 15.7 m -72.69 -25.95 61.43 Favored 'General case' 0 N--CA 1.431 -1.401 0 CA-C-N 115.387 -0.824 . . . . 1.02 109.051 177.451 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.645 ' HE3' ' HB3' ' A' ' 32' ' ' PHE . 28.9 tpp -64.41 -48.31 75.87 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 115.746 -0.661 . . . . 0.55 110.596 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.423 ' O ' HG23 ' A' ' 48' ' ' VAL . 22.2 t -69.74 -23.7 26.14 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.182 0 CA-C-N 115.401 -0.818 . . . . 0.56 110.853 -176.879 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.566 ' HB2' HG21 ' A' ' 18' ' ' ILE . 22.0 mm-40 -69.13 -39.77 78.66 Favored 'General case' 0 N--CA 1.441 -0.918 0 N-CA-C 109.246 -0.65 . . . . 2.08 109.246 175.342 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 42' ' ' SER . 87.7 t -60.64 -44.85 97.81 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.572 0 N-CA-C 108.789 -0.819 . . . . 0.52 108.789 176.789 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.608 HG22 HG21 ' A' ' 63' ' ' VAL . 46.8 t -54.02 -63.53 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 O-C-N 123.932 0.77 . . . . 0.38 109.486 176.81 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.495 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 67.7 t -49.12 -51.68 12.49 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 O-C-N 123.621 0.576 . . . . 0.58 111.991 176.854 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.79 -33.71 76.29 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 112.332 0.493 . . . . 0.42 112.332 -178.764 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.41 -36.38 83.55 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-O 120.65 0.262 . . . . 0.38 110.701 178.499 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.495 ' OE1' ' HA ' ' A' ' 48' ' ' VAL . 40.7 mt-10 -60.31 -47.29 86.66 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 109.421 -0.585 . . . . 1.36 109.421 177.396 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -64.98 -38.38 90.78 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 114.847 -1.069 . . . . 2.09 110.523 179.726 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 39.2 tpt85 -74.62 -35.66 62.92 Favored 'General case' 0 C--N 1.312 -1.065 0 CA-C-N 115.391 -0.822 . . . . 2.75 111.662 -174.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.539 ' CD2' HD13 ' A' ' 76' ' ' ILE . 32.6 m-85 -107.29 2.41 24.56 Favored 'General case' 0 C--N 1.298 -1.663 0 N-CA-C 112.937 0.717 . . . . 0.73 112.937 -175.446 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.0 t70 66.11 22.24 11.12 Favored 'General case' 0 N--CA 1.482 1.157 0 CA-C-O 122.12 0.962 . . . . 2.02 110.28 178.16 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.505 HG22 ' HB2' ' A' ' 54' ' ' PHE . 31.4 m -108.73 -171.67 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 CA-C-N 115.615 -0.721 . . . . 1.61 111.381 -177.138 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.4 ' HD2' ' HA ' ' A' ' 57' ' ' LYS . 27.7 mmmt -132.83 125.95 31.19 Favored 'General case' 0 N--CA 1.437 -1.12 0 N-CA-C 108.239 -1.023 . . . . 1.67 108.239 174.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.554 HD11 HG12 ' A' ' 76' ' ' ILE . 42.1 mt -137.38 99.74 9.6 Favored Pre-proline 0 C--N 1.303 -1.413 0 N-CA-C 107.144 -1.428 . . . . 0.49 107.144 -177.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -72.67 138.11 28.64 Favored 'Trans proline' 0 C--N 1.318 -1.065 0 C-N-CA 121.977 1.785 . . . . 0.62 112.349 -178.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.461 ' HA ' ' CG1' ' A' ' 63' ' ' VAL . 5.6 p-10 -55.55 -18.59 7.73 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.31 1.044 . . . . 2.0 111.934 176.605 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -73.59 -46.24 48.36 Favored 'General case' 0 C--N 1.308 -1.21 0 C-N-CA 123.119 0.568 . . . . 2.09 111.433 176.229 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -86.7 -30.89 21.34 Favored 'General case' 0 CA--C 1.504 -0.801 0 CA-C-O 121.004 0.431 . . . . 1.58 110.995 -174.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.608 HG21 HG22 ' A' ' 47' ' ' VAL . 4.3 p -55.74 -22.18 12.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.025 -0.989 . . . . 0.69 111.862 -177.438 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -60.9 -17.95 53.67 Favored 'General case' 0 N--CA 1.44 -0.971 0 CA-C-N 115.247 -0.888 . . . . 2.44 112.586 -178.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -92.08 -6.74 50.38 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.658 -0.246 . . . . 1.94 111.213 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.85 HD13 ' HA ' ' A' ' 72' ' ' ALA . 67.3 mt -77.38 -70.77 0.45 Allowed 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.715 -0.394 . . . . 1.67 110.547 -176.646 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt 74.99 -47.44 0.62 Allowed 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 124.617 1.167 . . . . 3.18 113.42 175.519 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.52 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 58.3 p -104.68 161.12 14.41 Favored 'General case' 0 N--CA 1.417 -2.108 0 CA-C-O 121.621 0.724 . . . . 0.51 111.971 -177.299 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.693 HG23 ' HA ' ' A' ' 28' ' ' LEU . 4.6 m -66.35 -31.44 53.64 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.989 0 CA-C-N 114.051 -1.431 . . . . 0.35 110.469 175.819 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -75.49 -40.73 31.92 Favored Glycine 0 N--CA 1.435 -1.383 0 CA-C-N 115.678 -0.692 . . . . 0.3 111.651 178.825 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.46 ' OD1' ' HA ' ' A' ' 66' ' ' LEU . 10.2 t70 -73.54 -34.3 65.13 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.666 -0.494 . . . . 1.79 109.666 -178.366 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.85 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -56.77 -57.91 10.41 Favored 'General case' 0 CA--C 1.515 -0.378 0 N-CA-C 109.234 -0.654 . . . . 0.29 109.234 175.108 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.543 HG23 ' HB ' ' A' ' 7' ' ' ILE . 97.7 m -47.95 -48.46 32.09 Favored 'General case' 0 C--O 1.2 -1.536 0 C-N-CA 123.794 0.838 . . . . 0.31 112.17 172.73 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 28.5 ttpp -56.25 -34.86 66.78 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.29 0.636 . . . . 2.93 111.949 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.437 ' O ' ' HB2' ' A' ' 79' ' ' HIS . 75.6 t80 -73.7 -41.34 62.73 Favored 'General case' 0 C--O 1.201 -1.486 0 N-CA-C 108.843 -0.799 . . . . 0.53 108.843 178.405 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.554 HG12 HD11 ' A' ' 58' ' ' ILE . 68.9 mt -68.41 -44.75 83.16 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.339 0 CA-C-N 115.837 -0.62 . . . . 0.27 109.483 -178.441 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.481 HD22 ' HG2' ' A' ' 4' ' ' GLN . 64.8 tp -54.01 -33.94 58.55 Favored 'General case' 0 C--N 1.316 -0.853 0 C-N-CA 124.408 1.083 . . . . 1.15 110.46 176.491 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -88.09 -40.73 13.56 Favored 'General case' 0 C--N 1.305 -1.369 0 CA-C-N 115.402 -0.817 . . . . 0.67 111.089 -178.526 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.437 ' HB2' ' O ' ' A' ' 75' ' ' TYR . 0.8 OUTLIER -87.06 5.2 38.78 Favored 'General case' 0 C--N 1.309 -1.161 0 N-CA-C 113.294 0.85 . . . . 1.53 113.294 -172.897 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -40.07 128.92 2.23 Favored 'General case' 0 C--O 1.244 0.799 0 O-C-N 124.093 0.871 . . . . 0.89 111.454 174.506 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.362 0 O-C-N 123.939 0.774 . . . . 2.36 111.861 -175.841 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.435 ' O ' HG13 ' A' ' 7' ' ' ILE . 62.5 m . . . . . 0 N--CA 1.403 -2.8 0 N-CA-C 107.309 -1.367 . . . . 1.05 107.309 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -44.64 -37.27 3.53 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.87 1.268 . . . . 1.25 112.892 -177.487 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -63.07 -35.2 79.45 Favored 'General case' 0 C--N 1.31 -1.141 0 C-N-CA 123.931 0.892 . . . . 2.3 110.824 -177.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -80.27 -30.45 38.36 Favored 'General case' 0 N--CA 1.437 -1.123 0 CA-C-N 115.365 -0.834 . . . . 1.92 109.853 -179.334 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.67 ' HB ' HG23 ' A' ' 73' ' ' THR . 25.5 mt -69.17 -52.9 28.9 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.211 0 N-CA-C 107.996 -1.113 . . . . 0.29 107.996 178.711 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.849 HG21 HD11 ' A' ' 28' ' ' LEU . 93.3 t -58.08 -33.93 47.86 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-N 116.151 -0.477 . . . . 0.32 110.613 175.362 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.514 ' O ' ' HG2' ' A' ' 13' ' ' GLU . . . -65.81 -41.51 91.79 Favored 'General case' 0 N--CA 1.445 -0.685 0 N-CA-C 109.848 -0.427 . . . . 0.32 109.848 177.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.14 -43.7 89.23 Favored Glycine 0 CA--C 1.495 -1.194 0 N-CA-C 110.773 -0.931 . . . . 0.31 110.773 178.62 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.451 ' HA ' HD12 ' A' ' 14' ' ' ILE . 86.8 mt -59.36 -42.17 90.97 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.592 -0.304 . . . . 0.29 110.651 176.808 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.41 -39.07 78.75 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 123.141 0.577 . . . . 0.24 110.874 177.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.514 ' HG2' ' O ' ' A' ' 9' ' ' ALA . 24.8 mm-40 -61.83 -52.98 61.95 Favored 'General case' 0 CA--C 1.503 -0.831 0 CA-C-O 121.645 0.736 . . . . 1.46 109.634 176.607 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.451 HD12 ' HA ' ' A' ' 11' ' ' LEU . 93.4 mt -54.78 -52.16 45.0 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 CA-C-N 113.702 -1.59 . . . . 0.41 110.332 -179.305 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.532 HG12 ' HB ' ' A' ' 21' ' ' ILE . 91.7 t -62.58 -37.43 78.9 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.981 0 CA-C-N 115.62 -0.718 . . . . 0.29 111.45 179.605 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.468 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 4.0 t-20 -64.07 -39.36 93.9 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-O 121.277 0.56 . . . . 0.64 109.601 179.33 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -71.87 -63.95 1.03 Allowed 'General case' 0 C--N 1.303 -1.434 0 CA-C-N 114.771 -1.104 . . . . 2.0 111.474 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.465 HG22 ' HB3' ' A' ' 42' ' ' SER . 76.0 mt -77.45 -52.84 15.66 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.2 0 CA-C-N 115.845 -0.616 . . . . 0.28 112.353 -171.147 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.517 ' HB2' HG13 ' A' ' 38' ' ' VAL . . . -77.6 -29.11 51.76 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-O 120.726 0.298 . . . . 0.34 110.392 -177.181 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.61 39.76 33.94 Favored Glycine 0 N--CA 1.442 -0.929 0 N-CA-C 110.709 -0.956 . . . . 0.46 110.709 -177.449 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.532 ' HB ' HG12 ' A' ' 15' ' ' VAL . 51.4 mm -117.82 136.66 23.8 Favored Pre-proline 0 C--N 1.314 -0.973 0 N-CA-C 109.202 -0.666 . . . . 0.42 109.202 -178.274 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.477 ' HD2' ' HA ' ' A' ' 21' ' ' ILE . 2.9 Cg_exo -35.74 122.84 0.25 Allowed 'Trans proline' 0 C--N 1.352 0.759 1 C-N-CA 125.504 4.136 . . . . 0.41 114.932 175.335 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 83.3 t -52.77 -42.47 42.25 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.626 0 CA-C-N 114.132 -1.395 . . . . 0.69 108.135 175.242 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -75.69 -22.25 56.84 Favored 'General case' 0 C--N 1.292 -1.928 0 CA-C-N 113.523 -1.671 . . . . 2.34 113.476 -174.204 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -82.53 -15.8 51.01 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 119.581 -0.848 . . . . 0.69 109.435 -179.269 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.639 HG13 HG11 ' A' ' 69' ' ' VAL . 55.1 t -78.34 79.22 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.308 -1.23 0 C-N-CA 125.081 1.352 . . . . 0.4 110.312 179.773 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.517 ' O ' HG21 ' A' ' 69' ' ' VAL . 11.4 pttm -116.01 169.45 9.24 Favored 'General case' 0 N--CA 1.424 -1.733 0 CA-C-N 113.615 -1.629 . . . . 1.67 106.83 174.284 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.849 HD11 HG21 ' A' ' 8' ' ' VAL . 6.6 mp -74.01 9.85 1.41 Allowed 'General case' 0 N--CA 1.484 1.241 0 N-CA-C 116.281 1.956 . . . . 1.08 116.281 -165.017 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -97.9 -3.26 38.94 Favored 'General case' 0 C--N 1.286 -2.165 0 CA-C-O 122.488 1.137 . . . . 2.11 108.89 178.036 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.443 ' O ' HG22 ' A' ' 69' ' ' VAL . 69.6 mmtt -99.19 122.04 41.85 Favored 'General case' 0 N--CA 1.423 -1.81 0 CA-C-N 114.736 -1.12 . . . . 1.02 113.11 -170.676 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.688 ' HB3' ' HB3' ' A' ' 34' ' ' ASP . 37.1 t -95.29 116.21 28.46 Favored 'General case' 0 N--CA 1.416 -2.161 0 N-CA-C 105.459 -2.052 . . . . 1.16 105.459 169.339 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.71 ' HA ' HD12 ' A' ' 36' ' ' LEU . 87.6 m-85 -35.0 -76.77 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.902 1.281 . . . . 0.36 113.718 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.492 HG23 ' HB ' ' A' ' 38' ' ' VAL . 0.2 OUTLIER -84.76 48.41 1.54 Allowed 'General case' 0 C--N 1.307 -1.266 0 N-CA-C 113.074 0.768 . . . . 0.47 113.074 179.3 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.688 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 6.8 t70 -149.35 -52.97 0.16 Allowed 'General case' 0 C--N 1.307 -1.279 0 CA-C-N 115.645 -0.707 . . . . 0.73 110.732 179.534 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -104.56 -54.89 2.44 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-N 115.832 -0.622 . . . . 1.46 109.707 -176.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.71 HD12 ' HA ' ' A' ' 32' ' ' PHE . 82.9 mt -62.68 -47.55 83.16 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.242 -0.89 . . . . 0.58 109.249 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.5 t70 75.4 86.95 0.09 Allowed 'General case' 0 CA--C 1.502 -0.866 0 C-N-CA 126.152 1.781 . . . . 1.14 109.824 -179.061 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.517 HG13 ' HB2' ' A' ' 19' ' ' ALA . 88.7 t -80.9 -86.87 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.305 -1.363 0 CA-C-N 114.175 -1.375 . . . . 1.79 108.24 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.5 t70 170.18 174.18 0.06 Allowed 'General case' 0 CA--C 1.485 -1.537 0 N-CA-C 103.024 -2.954 . . . . 0.79 103.024 178.837 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.1 t -90.04 -31.95 16.95 Favored 'General case' 0 C--N 1.248 -3.837 0 N-CA-C 108.173 -1.047 . . . . 1.23 108.173 -173.8 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 83.8 mt -87.02 -45.39 10.8 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 115.279 -0.873 . . . . 1.02 109.781 -179.132 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.465 ' HB3' HG22 ' A' ' 18' ' ' ILE . 13.5 m -64.24 -22.16 66.85 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 115.802 -0.636 . . . . 1.02 110.26 -176.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.533 ' O ' HG23 ' A' ' 47' ' ' VAL . 21.7 tpp -55.12 -43.05 73.75 Favored 'General case' 0 N--CA 1.44 -0.942 0 CA-C-N 115.026 -0.988 . . . . 0.55 110.666 175.767 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.427 ' O ' HG23 ' A' ' 48' ' ' VAL . 47.5 t -70.15 -26.07 28.84 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.19 0 CA-C-N 115.973 -0.558 . . . . 0.56 110.875 -175.425 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -81.96 -23.88 35.84 Favored 'General case' 0 N--CA 1.427 -1.604 0 C-N-CA 119.583 -0.847 . . . . 2.08 110.707 177.808 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 42' ' ' SER . 87.7 t -65.63 -40.69 88.71 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 N-CA-C 107.714 -1.217 . . . . 0.52 107.714 173.559 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.792 HG22 HG21 ' A' ' 63' ' ' VAL . 21.7 t -58.85 -61.65 1.33 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 N-CA-C 108.134 -1.062 . . . . 0.38 108.134 175.272 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 44' ' ' VAL . 84.2 t -49.38 -48.71 18.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 CA-C-N 115.843 -0.617 . . . . 0.58 112.322 177.115 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.58 -23.81 65.44 Favored 'General case' 0 C--O 1.212 -0.909 0 O-C-N 121.841 -0.537 . . . . 0.42 112.439 -178.663 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.37 -35.42 77.69 Favored 'General case' 0 C--O 1.24 0.561 0 N-CA-C 109.068 -0.716 . . . . 0.38 109.068 176.506 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.621 ' HG2' ' H ' ' A' ' 58' ' ' ILE . 35.5 mt-10 -65.92 -50.62 63.76 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 107.971 -1.122 . . . . 1.36 107.971 176.046 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -55.1 -37.94 67.5 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 114.096 -1.411 . . . . 2.09 111.051 -179.613 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.1 tpt180 -83.54 -52.57 6.37 Favored 'General case' 0 N--CA 1.429 -1.482 0 CA-C-N 115.582 -0.735 . . . . 2.75 111.557 -173.834 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.551 ' HB2' HG12 ' A' ' 56' ' ' VAL . 48.9 m-85 -95.53 -4.47 44.72 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 114.116 1.154 . . . . 0.73 114.116 -170.223 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 36.5 t70 77.59 -7.34 1.85 Allowed 'General case' 0 N--CA 1.5 2.031 0 C-N-CA 124.388 1.075 . . . . 2.02 111.257 177.803 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.551 HG12 ' HB2' ' A' ' 54' ' ' PHE . 11.7 p -76.52 164.71 3.42 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.162 0 CA-C-N 114.893 -1.048 . . . . 1.61 109.929 -179.641 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.438 ' HD2' ' OE2' ' A' ' 51' ' ' GLU . 24.0 tptm -110.73 105.88 14.9 Favored 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 108.627 -0.879 . . . . 1.67 108.627 178.19 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.707 HD11 HG12 ' A' ' 76' ' ' ILE . 21.9 mt -126.25 96.58 36.3 Favored Pre-proline 0 C--N 1.299 -1.622 0 N-CA-C 106.759 -1.571 . . . . 0.49 106.759 178.346 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.58 ' HD2' ' HB2' ' A' ' 62' ' ' ASP . 81.4 Cg_endo -86.68 165.94 8.95 Favored 'Trans proline' 0 N--CA 1.436 -1.874 0 C-N-CA 121.666 1.577 . . . . 0.62 110.939 177.393 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.483 ' O ' HG12 ' A' ' 63' ' ' VAL . 4.1 p-10 -51.81 -22.42 3.65 Favored 'General case' 0 C--N 1.319 -0.737 0 C-N-CA 124.394 1.078 . . . . 2.0 113.118 178.096 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.476 ' HA ' ' HE3' ' A' ' 64' ' ' LYS . 14.1 t70 -74.17 -50.37 19.57 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.031 0.443 . . . . 2.09 110.561 176.886 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.58 ' HB2' ' HD2' ' A' ' 59' ' ' PRO . 3.2 m-20 -72.36 -25.61 61.59 Favored 'General case' 0 CA--C 1.493 -1.214 0 CA-C-N 116.1 -0.5 . . . . 1.58 111.121 -179.748 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.792 HG21 HG22 ' A' ' 47' ' ' VAL . 0.8 OUTLIER -65.48 -21.33 29.02 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.163 0 CA-C-N 115.936 -0.574 . . . . 0.69 111.05 179.04 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.479 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 10.3 mtmp? -66.93 -1.81 4.49 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.111 0.564 . . . . 2.44 112.279 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -107.43 1.41 23.56 Favored 'General case' 0 CA--C 1.498 -1.021 0 N-CA-C 107.222 -1.399 . . . . 1.94 107.222 -178.094 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.57 HD13 ' HA ' ' A' ' 72' ' ' ALA . 38.9 mt -119.47 150.06 40.85 Favored 'General case' 0 N--CA 1.397 -3.124 0 N-CA-C 107.016 -1.476 . . . . 1.67 107.016 -175.499 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.473 ' HD2' ' OD2' ' A' ' 71' ' ' ASP 0.281 0.0 OUTLIER -153.45 -34.42 0.11 Allowed 'General case' 0 C--N 1.278 -2.505 0 CA-C-N 115.124 -0.944 . . . . 3.18 112.215 176.138 . . . . . . . . 4 4 . 1 . 017 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.648 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 75.8 p -101.92 170.5 8.1 Favored 'General case' 0 C--N 1.308 -1.234 0 C-N-CA 117.44 -1.704 . . . . 0.51 110.548 173.573 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.809 HG23 ' HA ' ' A' ' 28' ' ' LEU . 6.9 m -62.77 -33.1 58.24 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.477 0 CA-C-N 114.8 -1.091 . . . . 0.35 109.201 172.278 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -67.06 -42.57 92.09 Favored Glycine 0 N--CA 1.434 -1.45 0 CA-C-N 114.882 -1.054 . . . . 0.3 111.517 178.04 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.473 ' OD2' ' HD2' ' A' ' 67' ' ' LYS . 15.0 m-20 -62.62 -47.77 82.31 Favored 'General case' 0 CA--C 1.486 -1.496 0 N-CA-C 109.737 -0.468 . . . . 1.79 109.737 177.776 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.57 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -54.03 -59.76 4.22 Favored 'General case' 0 N--CA 1.445 -0.683 0 O-C-N 124.313 1.008 . . . . 0.29 109.695 -179.756 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.67 HG23 ' HB ' ' A' ' 7' ' ' ILE . 85.8 m -49.1 -46.46 44.78 Favored 'General case' 0 C--O 1.202 -1.445 0 C-N-CA 123.729 0.811 . . . . 0.31 112.536 174.609 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -63.32 -31.81 73.06 Favored 'General case' 0 C--N 1.315 -0.923 0 C-N-CA 122.646 0.378 . . . . 2.93 111.071 -177.472 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.557 ' HB2' HD21 ' A' ' 66' ' ' LEU . 78.9 t80 -76.37 -44.13 37.69 Favored 'General case' 0 C--O 1.203 -1.385 0 N-CA-C 108.213 -1.032 . . . . 0.53 108.213 178.036 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.707 HG12 HD11 ' A' ' 58' ' ' ILE . 74.7 mt -62.3 -49.73 82.8 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.068 0 CA-C-N 115.705 -0.68 . . . . 0.27 109.959 -179.585 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 47.9 tp -49.96 -41.98 47.8 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 124.587 1.155 . . . . 1.15 111.017 179.356 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -89.34 -41.54 12.08 Favored 'General case' 0 C--N 1.296 -1.758 0 CA-C-N 115.392 -0.822 . . . . 0.67 112.78 -176.215 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.4 ' HB2' ' O ' ' A' ' 75' ' ' TYR . 0.2 OUTLIER -85.03 4.99 31.34 Favored 'General case' 0 C--N 1.308 -1.204 0 N-CA-C 113.138 0.792 . . . . 1.53 113.138 -174.867 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -35.16 131.47 0.42 Allowed 'General case' 0 N--CA 1.492 1.65 0 C-N-CA 124.193 0.997 . . . . 0.89 111.532 175.567 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.165 0 CA-C-O 119.026 -0.511 . . . . 2.36 110.738 -176.494 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.573 ' O ' HG13 ' A' ' 7' ' ' ILE . 4.5 m . . . . . 0 N--CA 1.415 -2.218 0 N-CA-C 107.757 -1.201 . . . . 1.05 107.757 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.503 ' HA ' HD12 ' A' ' 7' ' ' ILE . 70.9 mt-30 -52.52 -36.39 55.31 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 124.279 1.031 . . . . 1.25 111.513 -174.324 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -62.75 -41.02 99.0 Favored 'General case' 0 C--N 1.302 -1.462 0 CA-C-N 114.919 -1.037 . . . . 2.3 110.221 179.44 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -75.38 -28.47 59.51 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.668 -0.696 . . . . 1.92 110.225 -179.261 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.573 HG13 ' O ' ' A' ' 3' ' ' THR . 31.5 mt -65.7 -56.47 14.91 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.098 0 N-CA-C 107.859 -1.163 . . . . 0.29 107.859 176.027 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.472 ' HA ' HD12 ' A' ' 11' ' ' LEU . 84.5 t -58.54 -33.26 47.85 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.945 0 CA-C-N 115.882 -0.599 . . . . 0.32 110.887 175.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.443 ' O ' ' HG2' ' A' ' 13' ' ' GLU . . . -66.53 -41.9 88.04 Favored 'General case' 0 C--O 1.221 -0.417 0 N-CA-C 110.122 -0.325 . . . . 0.32 110.122 177.356 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -62.41 -41.09 99.78 Favored Glycine 0 CA--C 1.507 -0.465 0 N-CA-C 110.919 -0.872 . . . . 0.31 110.919 176.522 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.472 HD12 ' HA ' ' A' ' 8' ' ' VAL . 88.3 mt -61.02 -43.31 99.08 Favored 'General case' 0 N--CA 1.434 -1.257 0 C-N-CA 122.894 0.478 . . . . 0.29 109.86 175.408 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.18 -41.71 89.1 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 123.55 0.74 . . . . 0.24 111.526 178.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.443 ' HG2' ' O ' ' A' ' 9' ' ' ALA . 10.1 mm-40 -54.18 -52.41 61.27 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-O 121.925 0.869 . . . . 1.46 109.777 176.213 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.69 -52.27 62.82 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.053 0 CA-C-N 113.154 -1.839 . . . . 0.41 110.605 -177.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.516 HG11 HD13 ' A' ' 36' ' ' LEU . 92.7 t -58.74 -41.95 83.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.332 -0.394 . . . . 0.29 110.928 178.895 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.526 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 5.4 t-20 -60.39 -43.25 96.84 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-O 121.023 0.44 . . . . 0.64 110.226 -179.621 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -70.45 -58.49 3.66 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-N 115.582 -0.736 . . . . 2.0 111.148 -179.372 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.619 HG21 ' HB2' ' A' ' 45' ' ' GLU . 80.2 mt -78.36 -53.29 14.24 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.915 0 N-CA-C 113.156 0.798 . . . . 0.28 113.156 -172.055 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.644 ' HB2' HG13 ' A' ' 38' ' ' VAL . . . -77.03 -31.72 56.48 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.103 0.478 . . . . 0.34 109.956 -177.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.7 11.62 63.61 Favored Glycine 0 C--O 1.227 -0.296 0 CA-C-N 115.438 -0.801 . . . . 0.46 111.609 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.526 ' O ' ' HA ' ' A' ' 16' ' ' ASN . 49.9 mm -95.19 131.38 30.1 Favored Pre-proline 0 C--N 1.309 -1.193 0 CA-C-O 119.525 -0.274 . . . . 0.42 110.432 -176.434 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.498 ' HD2' ' HA ' ' A' ' 21' ' ' ILE . 14.1 Cg_exo -32.34 127.13 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.157 1 C-N-CA 125.605 4.204 . . . . 0.41 114.801 174.088 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 93.4 t -51.21 -36.44 16.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 CA-C-N 114.594 -1.184 . . . . 0.69 108.935 176.177 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -92.4 0.11 57.41 Favored 'General case' 0 N--CA 1.417 -2.081 0 N-CA-C 114.22 1.193 . . . . 2.34 114.22 -174.306 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.688 ' O ' ' HE3' ' A' ' 30' ' ' LYS . 18.8 t70 -93.32 -15.05 26.19 Favored 'General case' 0 C--O 1.208 -1.125 0 N-CA-C 106.693 -1.595 . . . . 0.69 106.693 172.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.489 ' HA ' HD21 ' A' ' 36' ' ' LEU . 81.7 t -78.18 71.83 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.058 0 CA-C-N 114.364 -1.289 . . . . 0.4 108.91 179.695 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.771 ' O ' HG21 ' A' ' 69' ' ' VAL . 80.1 mttt -85.96 179.35 7.01 Favored 'General case' 0 CA--C 1.489 -1.401 0 N-CA-C 107.312 -1.366 . . . . 1.67 107.312 178.087 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.469 ' O ' HD23 ' A' ' 28' ' ' LEU . 5.9 tt -86.16 -5.32 59.22 Favored 'General case' 0 C--N 1.291 -1.953 0 CA-C-O 121.605 0.717 . . . . 1.08 112.841 -170.494 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -96.65 -4.52 40.83 Favored 'General case' 0 C--N 1.274 -2.71 0 CA-C-O 121.216 0.531 . . . . 2.11 110.031 179.122 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.688 ' HE3' ' O ' ' A' ' 25' ' ' ASP . 63.1 mmtt -75.03 122.61 23.79 Favored 'General case' 0 C--N 1.309 -1.17 0 N-CA-C 113.237 0.829 . . . . 1.02 113.237 -172.765 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.534 ' HA ' HG22 ' A' ' 68' ' ' THR . 1.0 OUTLIER -90.74 38.06 0.94 Allowed 'General case' 0 CA--C 1.554 1.103 0 CA-C-N 116.315 -0.402 . . . . 1.16 111.165 -179.767 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.751 ' HA ' HD12 ' A' ' 36' ' ' LEU . 62.6 m-85 50.73 -100.65 0.09 Allowed 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 114.214 1.19 . . . . 0.36 114.214 178.766 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.506 HG23 ' HB ' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -69.09 33.46 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.801 0 C-N-CA 125.804 1.642 . . . . 0.47 115.125 -178.977 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -143.32 -71.88 0.3 Allowed 'General case' 0 C--N 1.294 -1.83 0 CA-C-N 116.331 -0.395 . . . . 0.73 110.677 178.673 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -78.49 -40.48 35.26 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.942 0.401 . . . . 1.46 111.265 -176.124 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.751 HD12 ' HA ' ' A' ' 32' ' ' PHE . 95.3 mt -74.51 -52.7 11.17 Favored 'General case' 0 CA--C 1.507 -0.699 0 N-CA-C 108.349 -0.982 . . . . 0.58 108.349 176.022 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.2 t70 81.53 92.89 0.04 OUTLIER 'General case' 0 CA--C 1.499 -0.994 0 C-N-CA 126.556 1.942 . . . . 1.14 109.83 -178.076 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.644 HG13 ' HB2' ' A' ' 19' ' ' ALA . 89.2 t -92.91 -90.74 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.295 -1.8 0 CA-C-N 114.084 -1.416 . . . . 1.79 107.847 -177.057 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.7 t70 172.12 171.43 0.1 Allowed 'General case' 0 CA--C 1.481 -1.69 0 N-CA-C 103.413 -2.81 . . . . 0.79 103.413 177.677 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.7 t -88.98 -31.82 17.94 Favored 'General case' 0 C--N 1.258 -3.371 0 N-CA-C 108.457 -0.942 . . . . 1.23 108.457 -173.309 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 91.8 mt -86.35 -33.33 20.59 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-O 121.451 0.643 . . . . 1.02 110.72 -178.261 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.467 ' HB3' HG22 ' A' ' 18' ' ' ILE . 7.4 m -74.46 -14.11 60.79 Favored 'General case' 0 N--CA 1.434 -1.236 0 CA-C-N 115.412 -0.813 . . . . 1.02 110.68 -176.391 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.529 ' HE3' ' HB3' ' A' ' 32' ' ' PHE . 28.9 tpp -64.48 -38.81 92.31 Favored 'General case' 0 N--CA 1.439 -0.976 0 CA-C-N 115.714 -0.675 . . . . 0.55 111.102 179.749 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.45 ' O ' HG23 ' A' ' 48' ' ' VAL . 38.7 t -72.5 -23.5 21.13 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.681 0 CA-C-N 116.064 -0.516 . . . . 0.56 110.138 -178.212 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.619 ' HB2' HG21 ' A' ' 18' ' ' ILE . 8.6 mm-40 -73.11 -35.52 66.57 Favored 'General case' 0 N--CA 1.438 -1.068 0 N-CA-C 108.05 -1.093 . . . . 2.08 108.05 179.61 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 66.6 t -60.2 -46.52 94.53 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.39 0 N-CA-C 108.283 -1.006 . . . . 0.52 108.283 175.16 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.521 HG13 HG21 ' A' ' 63' ' ' VAL . 92.4 t -53.12 -63.57 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 O-C-N 123.99 0.806 . . . . 0.38 109.601 175.638 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 44' ' ' VAL . 86.6 t -46.76 -52.13 4.17 Favored 'Isoleucine or valine' 0 C--O 1.251 1.155 0 O-C-N 124.063 0.852 . . . . 0.58 111.596 179.199 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.88 -39.45 94.23 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.271 -0.422 . . . . 0.42 111.939 -179.32 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.4 -43.4 98.91 Favored 'General case' 0 C--O 1.242 0.672 0 C-N-CA 122.334 0.254 . . . . 0.38 111.325 -179.058 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.641 ' HG2' ' H ' ' A' ' 58' ' ' ILE . 40.2 mt-10 -56.6 -36.2 69.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.772 0.796 . . . . 1.36 110.593 179.189 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -83.24 -48.75 10.14 Favored 'General case' 0 C--N 1.306 -1.302 0 CA-C-N 114.943 -1.026 . . . . 2.09 111.564 -179.264 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 -64.41 -38.0 89.48 Favored 'General case' 0 CA--C 1.504 -0.794 0 C-N-CA 123.316 0.647 . . . . 2.75 110.793 -171.659 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.522 ' CD2' HG21 ' A' ' 76' ' ' ILE . 51.4 m-85 -100.32 -7.41 24.54 Favored 'General case' 0 C--N 1.297 -1.712 0 CA-C-N 115.22 -0.9 . . . . 0.73 111.109 -176.028 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.451 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 11.8 m-20 63.84 14.67 8.5 Favored 'General case' 0 N--CA 1.494 1.77 0 C-N-CA 124.45 1.1 . . . . 2.02 112.787 -178.54 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.579 ' O ' ' HA ' ' A' ' 51' ' ' GLU . 5.7 p -108.78 123.26 64.45 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.564 0 N-CA-C 108.963 -0.754 . . . . 1.61 108.963 179.757 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -70.89 103.87 2.76 Favored 'General case' 0 C--N 1.299 -1.589 0 CA-C-N 115.425 -0.807 . . . . 1.67 109.995 -178.067 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.713 HG22 HG23 ' A' ' 63' ' ' VAL . 11.5 mt -125.22 86.75 56.51 Favored Pre-proline 0 C--N 1.299 -1.593 0 N-CA-C 107.061 -1.459 . . . . 0.49 107.061 176.711 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -71.52 162.83 41.0 Favored 'Trans proline' 0 N--CA 1.442 -1.502 0 C-N-CA 121.107 1.205 . . . . 0.62 110.15 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.548 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 5.4 p-10 -48.42 -31.47 6.29 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.113 0.565 . . . . 2.0 111.574 179.171 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.461 ' HA ' ' HE3' ' A' ' 64' ' ' LYS . 21.1 t70 -60.2 -51.4 69.73 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 123.337 0.655 . . . . 2.09 112.019 177.659 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -73.71 -30.83 63.08 Favored 'General case' 0 N--CA 1.493 1.687 0 CA-C-O 121.555 0.693 . . . . 1.58 110.194 179.421 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.713 HG23 HG22 ' A' ' 58' ' ' ILE . 5.4 t -59.44 -22.62 23.32 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.572 0 CA-C-N 114.437 -1.256 . . . . 0.69 111.545 177.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.548 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 10.2 mtmp? -70.91 -1.83 13.14 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 113.284 0.846 . . . . 2.44 113.284 179.161 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -107.72 -11.7 15.37 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 106.694 -1.595 . . . . 1.94 106.694 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.566 ' HA ' ' OD1' ' A' ' 71' ' ' ASP . 52.7 mt -97.36 146.6 25.01 Favored 'General case' 0 N--CA 1.428 -1.527 0 N-CA-C 105.998 -1.853 . . . . 1.67 105.998 179.06 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.444 ' HE2' ' OD2' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -149.26 -9.3 0.33 Allowed 'General case' 0 C--N 1.282 -2.364 0 N-CA-C 113.798 1.036 . . . . 3.18 113.798 -178.2 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.534 HG22 ' HA ' ' A' ' 31' ' ' SER . 26.8 p -137.69 172.93 12.22 Favored 'General case' 0 N--CA 1.423 -1.787 0 N-CA-C 109.402 -0.592 . . . . 0.51 109.402 176.387 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.771 HG21 ' O ' ' A' ' 27' ' ' LYS . 3.3 m -60.64 -48.8 87.11 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.746 0 CA-C-N 115.023 -0.99 . . . . 0.35 109.852 173.585 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.486 ' H ' HG23 ' A' ' 69' ' ' VAL . . . -64.26 -32.82 85.47 Favored Glycine 0 N--CA 1.436 -1.366 0 CA-C-N 115.86 -0.609 . . . . 0.3 112.481 177.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.566 ' OD1' ' HA ' ' A' ' 66' ' ' LEU . 6.4 t70 -69.94 -43.46 71.58 Favored 'General case' 0 CA--C 1.508 -0.661 0 N-CA-C 108.807 -0.812 . . . . 1.79 108.807 -179.521 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.494 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -57.29 -53.0 63.07 Favored 'General case' 0 CA--C 1.514 -0.408 0 N-CA-C 108.62 -0.881 . . . . 0.29 108.62 176.106 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.482 ' HA ' HG21 ' A' ' 7' ' ' ILE . 85.7 m -48.86 -48.08 42.32 Favored 'General case' 0 C--O 1.188 -2.138 0 C-N-CA 123.843 0.857 . . . . 0.31 111.737 172.452 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 28.3 tptp -58.51 -26.87 63.93 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 123.252 0.621 . . . . 2.93 111.458 -179.254 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.459 ' HB2' HD21 ' A' ' 66' ' ' LEU . 44.9 t80 -83.96 -51.27 7.27 Favored 'General case' 0 C--N 1.314 -0.969 0 N-CA-C 108.552 -0.907 . . . . 0.53 108.552 177.26 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.523 HG12 HD11 ' A' ' 58' ' ' ILE . 82.0 mt -60.5 -51.74 69.56 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.536 0 C-N-CA 124.308 1.043 . . . . 0.27 111.242 -178.854 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.445 HD22 ' HG2' ' A' ' 4' ' ' GLN . 59.0 tp -50.83 -41.19 57.4 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.31 1.044 . . . . 1.15 111.352 179.329 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -77.87 -46.14 22.21 Favored 'General case' 0 C--N 1.307 -1.264 0 CA-C-N 114.879 -1.055 . . . . 0.67 110.322 -175.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -72.0 -58.93 3.02 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-N 114.702 -1.135 . . . . 1.53 113.587 -177.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 39.83 95.74 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 125.485 1.514 . . . . 0.89 114.778 -174.276 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.451 ' HA ' ' O ' ' A' ' 55' ' ' ASP . . . . . . . . 0 C--O 1.249 1.037 0 C-N-CA 124.319 1.047 . . . . 2.36 111.599 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.4 m . . . . . 0 N--CA 1.422 -1.838 0 N-CA-C 105.913 -1.884 . . . . 1.05 105.913 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.567 ' HA ' HD12 ' A' ' 7' ' ' ILE . 52.7 mt-30 -50.61 -30.9 14.47 Favored 'General case' 0 C--N 1.312 -1.023 0 N-CA-C 114.341 1.237 . . . . 1.25 114.341 -173.321 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -61.76 -39.18 90.72 Favored 'General case' 0 C--N 1.315 -0.904 0 C-N-CA 122.769 0.428 . . . . 2.3 110.347 175.6 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -74.41 -26.56 60.16 Favored 'General case' 0 C--N 1.315 -0.92 0 C-N-CA 123.839 0.855 . . . . 1.92 108.794 -178.3 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.632 ' HA ' ' HE2' ' A' ' 54' ' ' PHE . 29.9 mt -71.81 -57.91 6.31 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.246 0 N-CA-C 107.678 -1.23 . . . . 0.29 107.678 177.461 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.9 t -54.88 -48.19 74.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.622 -0.717 . . . . 0.32 110.616 177.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.15 -32.59 74.36 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.556 -0.293 . . . . 0.32 111.318 179.288 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.52 -44.06 97.18 Favored Glycine 0 CA--C 1.495 -1.184 0 N-CA-C 109.629 -1.389 . . . . 0.31 109.629 175.443 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.461 ' O ' HG23 ' A' ' 15' ' ' VAL . 96.9 mt -60.13 -49.69 76.65 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 109.237 -0.653 . . . . 0.29 109.237 175.598 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.36 -45.37 72.75 Favored 'General case' 0 C--N 1.317 -0.819 0 C-N-CA 124.216 1.006 . . . . 0.24 112.721 -178.165 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -69.64 -21.72 63.53 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 112.83 0.678 . . . . 1.46 112.83 -179.503 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 96.4 mt -86.0 -42.87 16.2 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.284 0 CA-C-O 121.464 0.65 . . . . 0.41 109.305 176.072 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 11' ' ' LEU . 78.4 t -61.41 -43.26 96.4 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.993 0 CA-C-N 115.845 -0.616 . . . . 0.29 110.905 179.23 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 56.1 t30 -63.72 -29.38 70.6 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-O 121.498 0.666 . . . . 0.64 110.133 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -79.14 -53.49 6.94 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 114.938 -1.028 . . . . 2.0 110.975 -179.05 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.651 HG22 ' HB3' ' A' ' 42' ' ' SER . 92.0 mt -87.37 -53.07 10.72 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.706 0 N-CA-C 112.734 0.642 . . . . 0.28 112.734 -175.034 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.593 ' HB2' HG13 ' A' ' 38' ' ' VAL . . . -75.34 -37.94 60.43 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.996 0.427 . . . . 0.34 110.678 -177.069 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.38 3.35 61.46 Favored Glycine 0 N--CA 1.447 -0.617 0 CA-C-N 115.228 -0.896 . . . . 0.46 111.013 -178.329 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.447 ' HA ' ' HD2' ' A' ' 22' ' ' PRO . 48.4 mm -88.09 130.44 46.24 Favored Pre-proline 0 C--N 1.31 -1.111 0 N-CA-C 109.674 -0.491 . . . . 0.42 109.674 -178.133 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.447 ' HD2' ' HA ' ' A' ' 21' ' ' ILE . 7.6 Cg_exo -34.3 132.78 0.16 Allowed 'Trans proline' 0 C--N 1.354 0.862 1 C-N-CA 125.399 4.066 . . . . 0.41 115.276 175.66 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 97.1 t -55.06 -33.18 28.81 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.416 0 CA-C-N 114.146 -1.388 . . . . 0.69 107.757 174.274 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.455 ' O ' ' HE3' ' A' ' 27' ' ' LYS . 11.3 pt-20 -87.2 -9.04 56.18 Favored 'General case' 0 C--N 1.297 -1.685 0 CA-C-N 114.045 -1.434 . . . . 2.34 113.806 -175.562 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.531 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 24.5 t70 -89.65 -18.5 26.37 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 107.519 -1.289 . . . . 0.69 107.519 178.581 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.729 HG13 HG11 ' A' ' 69' ' ' VAL . 53.0 t -81.2 81.14 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.432 -1.348 0 CA-C-N 113.475 -1.693 . . . . 0.4 108.271 178.17 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.455 ' HE3' ' O ' ' A' ' 24' ' ' GLU . 34.0 mmtp -92.09 -122.63 0.08 Allowed 'General case' 0 C--N 1.297 -1.702 0 CA-C-N 113.525 -1.67 . . . . 1.67 109.744 178.385 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.61 ' HA ' HG23 ' A' ' 69' ' ' VAL . 5.7 tt -134.89 -23.33 1.56 Allowed 'General case' 0 C--N 1.314 -0.951 0 C-N-CA 118.431 -1.307 . . . . 1.08 111.846 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -90.84 -3.53 57.3 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-O 122.507 1.146 . . . . 2.11 109.126 -179.66 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.671 ' O ' HG22 ' A' ' 69' ' ' VAL . 41.1 mmtm -82.57 120.82 26.01 Favored 'General case' 0 C--N 1.298 -1.637 0 CA-C-N 114.461 -1.245 . . . . 1.02 112.085 -172.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.747 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 7.3 m -85.05 120.02 26.09 Favored 'General case' 0 N--CA 1.398 -3.069 0 N-CA-C 107.569 -1.271 . . . . 1.16 107.569 175.704 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.779 ' HA ' HD12 ' A' ' 36' ' ' LEU . 68.9 m-85 -32.81 -91.74 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 114.554 1.316 . . . . 0.36 114.554 174.072 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.683 HG23 ' HB ' ' A' ' 38' ' ' VAL . 0.7 OUTLIER -81.68 60.65 4.72 Favored 'General case' 0 C--N 1.284 -2.247 0 N-CA-C 113.575 0.954 . . . . 0.47 113.575 177.394 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.664 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 23.0 t70 -169.14 -49.15 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.496 0 CA-C-O 120.993 0.425 . . . . 0.73 110.394 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -95.36 -51.77 4.44 Favored 'General case' 0 N--CA 1.482 1.157 0 N-CA-C 109.179 -0.674 . . . . 1.46 109.179 175.276 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.779 HD12 ' HA ' ' A' ' 32' ' ' PHE . 80.6 mt -72.34 -51.72 19.36 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.328 -0.851 . . . . 0.58 110.118 -177.82 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.3 t70 80.51 95.79 0.05 Allowed 'General case' 0 CA--C 1.504 -0.813 0 C-N-CA 126.254 1.822 . . . . 1.14 109.467 -176.63 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.683 ' HB ' HG23 ' A' ' 33' ' ' THR . 93.9 t -98.42 -90.88 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.298 -1.65 0 CA-C-N 114.577 -1.192 . . . . 1.79 110.141 -173.415 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.585 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 18.3 t70 174.22 -175.01 0.07 Allowed 'General case' 0 C--N 1.298 -1.663 0 N-CA-C 105.67 -1.974 . . . . 0.79 105.67 -177.596 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.431 ' H ' ' CG ' ' A' ' 39' ' ' ASP . 4.7 t -94.65 -49.69 5.51 Favored 'General case' 0 C--N 1.272 -2.793 0 N-CA-C 107.557 -1.275 . . . . 1.23 107.557 -174.137 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 80.9 mt -86.42 -34.2 20.22 Favored 'General case' 0 C--N 1.292 -1.906 0 CA-C-N 113.722 -1.581 . . . . 1.02 109.972 -173.787 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.651 ' HB3' HG22 ' A' ' 18' ' ' ILE . 22.1 m -67.7 -25.3 65.61 Favored 'General case' 0 N--CA 1.438 -1.042 0 CA-C-N 115.316 -0.857 . . . . 1.02 109.587 179.211 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.491 ' HB2' ' HE2' ' A' ' 43' ' ' MET . 26.9 tpp -59.94 -47.05 87.38 Favored 'General case' 0 N--CA 1.44 -0.955 0 CA-C-N 115.604 -0.726 . . . . 0.55 110.571 177.692 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 41.5 t -71.11 -26.98 28.21 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-N 115.706 -0.679 . . . . 0.56 110.4 -177.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.533 ' HB2' HG21 ' A' ' 18' ' ' ILE . 54.6 mm-40 -71.29 -39.12 71.69 Favored 'General case' 0 N--CA 1.431 -1.395 0 N-CA-C 109.501 -0.555 . . . . 2.08 109.501 178.078 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 42' ' ' SER . 77.7 t -55.43 -51.47 56.69 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.016 0 N-CA-C 108.785 -0.82 . . . . 0.52 108.785 175.261 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 64.5 t -57.52 -64.47 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.621 0 O-C-N 123.635 0.585 . . . . 0.38 111.159 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 93.7 t -52.58 -50.56 39.81 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.855 0 N-CA-C 112.401 0.519 . . . . 0.58 112.401 -179.628 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.76 -26.32 66.06 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 117.875 0.307 . . . . 0.42 111.705 -178.654 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ALA . . . . . 0.415 ' O ' ' HD1' ' A' ' 54' ' ' PHE . . . -65.39 -35.86 82.23 Favored 'General case' 0 C--O 1.204 -1.316 0 N-CA-C 108.741 -0.837 . . . . 0.38 108.741 178.038 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . 0.253 48.0 mm-40 -58.04 -27.09 63.27 Favored 'General case' 0 N--CA 1.404 -2.731 0 N-CA-C 116.942 2.201 . . . . 1.36 116.942 175.403 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -82.85 -19.76 36.92 Favored 'General case' 0 C--N 1.306 -1.313 0 CA-C-O 122.085 0.945 . . . . 2.09 109.084 176.205 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 -88.61 -52.61 5.06 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-N 115.271 -0.877 . . . . 2.75 110.438 -178.304 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.632 ' HE2' ' HA ' ' A' ' 7' ' ' ILE . 75.6 m-85 -91.34 -38.41 12.64 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 123.952 0.901 . . . . 0.73 112.801 -172.392 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.2 t70 71.65 26.78 3.05 Favored 'General case' 0 N--CA 1.499 1.99 0 C-N-CA 123.674 0.79 . . . . 2.02 111.694 174.329 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.432 ' HB ' ' HB3' ' A' ' 79' ' ' HIS . 19.8 m -104.65 3.15 10.53 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.024 0 N-CA-C 114.11 1.152 . . . . 1.61 114.11 -171.691 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . 0.259 14.2 mmmm 54.78 86.92 0.05 OUTLIER 'General case' 0 C--N 1.294 -1.813 0 C-N-CA 126.765 2.026 . . . . 1.67 113.572 -177.189 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.808 HG22 HG23 ' A' ' 63' ' ' VAL . 8.4 mt -114.81 101.26 54.37 Favored Pre-proline 0 C--N 1.296 -1.722 0 N-CA-C 106.828 -1.545 . . . . 0.49 106.828 178.796 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.463 ' HD2' ' HB2' ' A' ' 62' ' ' ASP . 56.6 Cg_endo -84.9 156.7 11.61 Favored 'Trans proline' 0 N--CA 1.442 -1.52 0 C-N-CA 121.305 1.337 . . . . 0.62 110.305 175.305 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.651 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 3.8 p30 -43.44 -37.63 2.45 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.442 0.697 . . . . 2.0 112.805 176.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -63.13 -44.15 96.4 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 112.523 0.564 . . . . 2.09 112.523 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.463 ' HB2' ' HD2' ' A' ' 59' ' ' PRO . 0.9 OUTLIER -72.5 -32.48 66.2 Favored 'General case' 0 CA--C 1.49 -1.364 0 CA-C-O 121.61 0.719 . . . . 1.58 109.775 179.052 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.808 HG23 HG22 ' A' ' 58' ' ' ILE . 2.9 t -60.2 -25.56 33.88 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.81 0 CA-C-N 114.248 -1.342 . . . . 0.69 111.432 174.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.651 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 95.1 mttt -76.79 -0.05 22.42 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-O 121.36 0.6 . . . . 2.44 111.878 178.466 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 47.7 m-80 -116.1 10.71 15.08 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 106.972 -1.492 . . . . 1.94 106.972 -179.126 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.65 HD13 ' HA ' ' A' ' 72' ' ' ALA . 53.4 mt -120.33 158.96 25.99 Favored 'General case' 0 N--CA 1.402 -2.874 0 N-CA-C 103.853 -2.647 . . . . 1.67 103.853 175.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.518 ' HD2' ' OD2' ' A' ' 71' ' ' ASP 0.338 0.0 OUTLIER -154.61 -22.55 0.12 Allowed 'General case' 0 C--N 1.285 -2.222 0 N-CA-C 113.93 1.085 . . . . 3.18 113.93 176.757 . . . . . . . . 4 4 . 1 . 019 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.747 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 77.4 p -113.15 176.28 5.09 Favored 'General case' 0 N--CA 1.432 -1.345 0 C-N-CA 119.22 -0.992 . . . . 0.51 110.974 172.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.729 HG11 HG13 ' A' ' 26' ' ' VAL . 2.4 m -67.87 -27.63 38.49 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.133 0 CA-C-N 114.537 -1.211 . . . . 0.35 109.723 170.849 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -70.41 -43.1 63.13 Favored Glycine 0 N--CA 1.429 -1.809 0 CA-C-N 115.111 -0.95 . . . . 0.3 110.913 176.079 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.518 ' OD2' ' HD2' ' A' ' 67' ' ' LYS . 18.1 m-20 -61.17 -46.71 89.4 Favored 'General case' 0 CA--C 1.493 -1.231 0 C-N-CA 122.367 0.267 . . . . 1.79 111.131 178.575 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.65 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -54.38 -59.48 4.62 Favored 'General case' 0 C--O 1.222 -0.393 0 N-CA-C 109.173 -0.677 . . . . 0.29 109.173 178.016 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.583 ' HA ' HG21 ' A' ' 7' ' ' ILE . 90.0 m -48.86 -48.55 41.88 Favored 'General case' 0 C--O 1.207 -1.14 0 C-N-CA 124.122 0.969 . . . . 0.31 113.15 173.69 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -58.57 -37.27 75.39 Favored 'General case' 0 C--N 1.314 -0.958 0 C-N-CA 123.154 0.581 . . . . 2.93 111.187 -179.223 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.52 ' HB2' HD21 ' A' ' 66' ' ' LEU . 89.9 t80 -74.9 -44.08 50.76 Favored 'General case' 0 N--CA 1.44 -0.927 0 N-CA-C 108.855 -0.795 . . . . 0.53 108.855 179.435 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.484 HG21 ' CD2' ' A' ' 54' ' ' PHE . 88.7 mt -63.75 -46.1 95.45 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.626 0 CA-C-N 115.212 -0.904 . . . . 0.27 110.648 -179.677 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.471 ' HA ' ' HG2' ' A' ' 80' ' ' GLN . 17.9 tp -61.96 -29.37 70.19 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-O 121.617 0.722 . . . . 1.15 110.818 178.668 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -79.79 -43.07 23.15 Favored 'General case' 0 C--N 1.293 -1.883 0 CA-C-N 115.363 -0.835 . . . . 0.67 110.173 -178.268 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' HIS . . . . . 0.432 ' HB3' ' HB ' ' A' ' 56' ' ' VAL . 0.1 OUTLIER -71.65 -52.18 19.3 Favored 'General case' 0 C--N 1.297 -1.708 0 CA-C-N 114.537 -1.21 . . . . 1.53 111.849 179.503 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLN . . . . . 0.471 ' HG2' ' HA ' ' A' ' 77' ' ' LEU . 10.1 mm100 30.6 112.01 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 118.769 2.877 . . . . 0.89 118.769 179.396 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.407 -2.577 0 N-CA-C 106.74 -1.578 . . . . 2.36 106.74 176.087 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.547 ' O ' HG13 ' A' ' 7' ' ' ILE . 63.6 p . . . . . 0 N--CA 1.432 -1.333 0 N-CA-C 107.939 -1.134 . . . . 1.05 107.939 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.427 ' HA ' HD12 ' A' ' 7' ' ' ILE . 25.6 mt-30 -51.65 -31.82 27.07 Favored 'General case' 0 N--CA 1.483 1.208 0 N-CA-C 112.31 0.485 . . . . 1.25 112.31 -174.859 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 19.9 mp0 -70.71 -37.34 73.55 Favored 'General case' 0 C--N 1.308 -1.222 0 CA-C-N 115.572 -0.74 . . . . 2.3 109.542 -176.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -70.39 -33.64 71.64 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 121.541 0.686 . . . . 1.92 109.402 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.547 HG13 ' O ' ' A' ' 3' ' ' THR . 29.3 mt -66.47 -55.9 16.57 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.131 0 CA-C-N 114.629 -1.168 . . . . 0.29 108.1 177.837 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.444 HG21 HD11 ' A' ' 28' ' ' LEU . 53.4 t -55.65 -39.46 55.03 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.712 0 CA-C-N 115.859 -0.609 . . . . 0.32 111.4 177.096 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.86 -37.97 86.5 Favored 'General case' 0 C--O 1.242 0.69 0 C-N-CA 122.824 0.45 . . . . 0.32 110.889 177.833 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.32 -43.78 87.21 Favored Glycine 0 CA--C 1.496 -1.112 0 N-CA-C 110.533 -1.027 . . . . 0.31 110.533 177.047 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.47 ' O ' HG23 ' A' ' 15' ' ' VAL . 96.4 mt -59.42 -50.46 73.88 Favored 'General case' 0 C--N 1.314 -0.939 0 N-CA-C 109.637 -0.505 . . . . 0.29 109.637 177.159 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.44 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -53.7 -43.7 69.18 Favored 'General case' 0 C--N 1.316 -0.888 0 C-N-CA 124.733 1.213 . . . . 0.24 112.476 -178.581 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -67.31 -42.96 82.82 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 119.732 -0.787 . . . . 1.46 112.099 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 93.9 mt -60.93 -49.23 85.52 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.98 0 CA-C-O 121.374 0.607 . . . . 0.41 109.666 176.293 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 11' ' ' LEU . 91.1 t -58.9 -46.61 91.2 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.387 0 CA-C-N 115.427 -0.806 . . . . 0.29 110.268 178.857 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -64.79 -31.98 73.46 Favored 'General case' 0 C--N 1.297 -1.692 0 O-C-N 122.002 -0.436 . . . . 0.64 111.67 -179.315 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -72.16 -51.63 20.4 Favored 'General case' 0 C--N 1.304 -1.375 0 CA-C-N 115.822 -0.626 . . . . 2.0 111.067 179.649 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.698 HG21 ' HB2' ' A' ' 45' ' ' GLU . 75.9 mt -88.9 -54.22 8.16 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 CA-C-O 121.45 0.643 . . . . 0.28 111.913 -174.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.608 ' HB1' HG21 ' A' ' 38' ' ' VAL . . . -76.59 -40.32 49.88 Favored 'General case' 0 C--N 1.307 -1.266 0 CA-C-N 115.496 -0.775 . . . . 0.34 109.775 -176.783 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.78 21.42 39.88 Favored Glycine 0 C--O 1.214 -1.116 0 CA-C-N 115.613 -0.722 . . . . 0.46 111.432 -179.241 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ILE . . . . . 0.525 HG21 HD22 ' A' ' 36' ' ' LEU . 48.8 mm -96.06 130.95 29.88 Favored Pre-proline 0 C--N 1.307 -1.253 0 N-CA-C 109.212 -0.662 . . . . 0.42 109.212 -178.412 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.497 ' HD2' ' HA ' ' A' ' 21' ' ' ILE . 12.9 Cg_exo -31.39 125.51 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 1 C-N-CA 125.866 4.377 . . . . 0.41 114.926 174.939 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.44 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 89.2 t -59.55 -32.69 49.6 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-N 113.943 -1.481 . . . . 0.69 108.788 179.112 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -89.74 -14.38 34.76 Favored 'General case' 0 N--CA 1.425 -1.691 0 N-CA-C 113.378 0.881 . . . . 2.34 113.378 -177.843 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.474 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 10.3 t70 -86.39 -19.09 30.23 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-O 122.271 1.034 . . . . 0.69 108.474 -179.016 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.729 HG13 HG11 ' A' ' 69' ' ' VAL . 32.3 t -72.5 86.09 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.915 0 CA-C-N 113.905 -1.498 . . . . 0.4 108.322 172.227 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -96.02 -122.11 0.11 Allowed 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 113.846 -1.524 . . . . 1.67 109.322 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.642 ' HA ' HG23 ' A' ' 69' ' ' VAL . 8.2 mp -129.11 -31.22 2.13 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 113.459 0.911 . . . . 1.08 113.459 176.652 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -82.49 -6.95 59.62 Favored 'General case' 0 N--CA 1.484 1.274 0 CA-C-O 122.795 1.283 . . . . 2.11 109.378 -177.293 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.632 ' O ' HG22 ' A' ' 69' ' ' VAL . 39.5 mmtm -78.05 105.16 9.08 Favored 'General case' 0 C--N 1.295 -1.783 0 CA-C-N 113.902 -1.499 . . . . 1.02 112.42 -174.569 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.591 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 17.7 m -72.15 115.67 11.65 Favored 'General case' 0 N--CA 1.398 -3.037 0 N-CA-C 107.372 -1.344 . . . . 1.16 107.372 170.856 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.8 ' HA ' HD12 ' A' ' 36' ' ' LEU . 96.6 m-85 -35.18 -84.5 0.0 OUTLIER 'General case' 0 C--N 1.312 -1.061 0 N-CA-C 114.149 1.166 . . . . 0.36 114.149 176.537 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' THR . . . . . 0.554 HG23 ' HE3' ' A' ' 43' ' ' MET . 0.0 OUTLIER -83.34 45.54 1.05 Allowed 'General case' 0 C--N 1.295 -1.801 0 N-CA-C 113.831 1.049 . . . . 0.47 113.831 -179.824 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.591 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 7.1 t70 -153.99 -63.65 0.14 Allowed 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.926 -0.579 . . . . 0.73 110.491 179.208 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.538 ' OD2' ' HD3' ' A' ' 30' ' ' LYS . 6.8 t70 -88.83 -43.95 10.85 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.331 -0.618 . . . . 1.46 109.331 -174.765 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.8 HD12 ' HA ' ' A' ' 32' ' ' PHE . 96.1 mt -71.06 -54.39 11.34 Favored 'General case' 0 CA--C 1.511 -0.529 0 N-CA-C 106.555 -1.646 . . . . 0.58 106.555 172.707 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.8 t70 72.93 86.07 0.11 Allowed 'General case' 0 CA--C 1.509 -0.607 0 CA-C-N 113.956 -1.474 . . . . 1.14 112.16 173.682 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.662 HG13 ' H ' ' A' ' 39' ' ' ASP . 3.2 p -112.3 -89.95 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.433 -1.324 0 N-CA-C 113.818 1.044 . . . . 1.79 113.818 176.695 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.662 ' H ' HG13 ' A' ' 38' ' ' VAL . 10.7 t70 -159.34 172.75 17.41 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 108.786 -0.82 . . . . 0.79 108.786 -174.267 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 27.4 t -84.39 -53.82 5.19 Favored 'General case' 0 C--N 1.28 -2.442 0 C-N-CA 125.177 1.391 . . . . 1.23 111.037 -172.239 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.402 ' O ' ' HG2' ' A' ' 45' ' ' GLU . 48.9 mt -73.65 -28.12 61.61 Favored 'General case' 0 CA--C 1.492 -1.273 0 C-N-CA 120.425 -0.51 . . . . 1.02 109.843 -173.817 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.565 ' O ' HG23 ' A' ' 46' ' ' VAL . 17.1 m -68.9 -28.17 66.44 Favored 'General case' 0 N--CA 1.424 -1.745 0 CA-C-N 115.015 -0.993 . . . . 1.02 108.969 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.554 ' HE3' HG23 ' A' ' 33' ' ' THR . 23.9 tpp -71.01 -40.64 71.67 Favored 'General case' 0 N--CA 1.429 -1.508 0 CA-C-N 115.661 -0.699 . . . . 0.55 110.473 -177.526 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.42 ' O ' HG23 ' A' ' 48' ' ' VAL . 45.0 t -68.31 -37.1 77.46 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.981 0 N-CA-C 109.074 -0.713 . . . . 0.56 109.074 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.698 ' HB2' HG21 ' A' ' 18' ' ' ILE . 70.3 mm-40 -64.7 -36.55 84.65 Favored 'General case' 0 N--CA 1.44 -0.948 0 CA-C-N 116.265 -0.425 . . . . 2.08 110.178 177.563 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 42' ' ' SER . 75.6 t -60.6 -48.49 88.37 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.623 0 N-CA-C 109.201 -0.666 . . . . 0.52 109.201 176.413 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 43' ' ' MET . 63.3 t -50.45 -63.46 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 O-C-N 123.935 0.772 . . . . 0.38 109.315 176.475 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 44' ' ' VAL . 57.3 t -47.77 -54.04 4.11 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.049 0 CA-C-N 115.216 -0.902 . . . . 0.58 111.569 178.133 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.92 -35.45 80.72 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.628 0.603 . . . . 0.42 112.628 -177.644 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.04 -39.84 93.72 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.817 0.342 . . . . 0.38 110.627 179.451 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.662 ' HG2' ' H ' ' A' ' 58' ' ' ILE . 40.8 mt-10 -61.38 -36.5 80.44 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 122.025 0.917 . . . . 1.36 110.425 178.752 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -77.75 -38.32 47.24 Favored 'General case' 0 C--N 1.305 -1.365 0 CA-C-N 114.665 -1.152 . . . . 2.09 110.651 -178.562 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 32.4 tpt180 -80.79 -38.27 28.75 Favored 'General case' 0 C--N 1.312 -1.039 0 N-CA-C 112.428 0.529 . . . . 2.75 112.428 -173.266 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.513 ' CD2' HG21 ' A' ' 76' ' ' ILE . 33.1 m-85 -98.85 -7.25 27.64 Favored 'General case' 0 C--N 1.307 -1.267 0 N-CA-C 112.343 0.498 . . . . 0.73 112.343 -175.206 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 67.5 15.63 9.85 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 123.911 0.884 . . . . 2.02 112.32 -178.368 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.568 ' O ' ' HA ' ' A' ' 51' ' ' GLU . 6.9 p -118.87 120.69 64.83 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.428 0 N-CA-C 109.088 -0.708 . . . . 1.61 109.088 179.098 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.427 ' HD2' ' HB3' ' A' ' 51' ' ' GLU . 3.5 mmmp? -74.21 97.92 3.07 Favored 'General case' 0 C--N 1.291 -1.947 0 CA-C-N 115.008 -0.996 . . . . 1.67 110.488 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.662 ' H ' ' HG2' ' A' ' 51' ' ' GLU . 17.7 mt -98.26 98.51 5.8 Favored Pre-proline 0 C--N 1.296 -1.754 0 N-CA-C 105.831 -1.914 . . . . 0.49 105.831 173.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -68.0 141.16 52.29 Favored 'Trans proline' 0 N--CA 1.444 -1.407 0 C-N-CA 121.618 1.545 . . . . 0.62 112.942 -173.71 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.513 ' O ' HG12 ' A' ' 63' ' ' VAL . 1.1 m-20 -41.13 -35.33 0.56 Allowed 'General case' 0 C--O 1.211 -0.97 0 C-N-CA 126.754 2.022 . . . . 2.0 112.824 176.771 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -75.11 -42.75 55.79 Favored 'General case' 0 C--N 1.307 -1.266 0 N-CA-C 111.978 0.362 . . . . 2.09 111.978 179.702 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -87.03 -22.69 25.32 Favored 'General case' 0 CA--C 1.508 -0.639 0 CA-C-O 121.224 0.535 . . . . 1.58 110.677 -174.583 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.513 HG12 ' O ' ' A' ' 60' ' ' ASP . 4.0 p -63.58 -23.23 32.8 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.024 0 CA-C-N 115.423 -0.808 . . . . 0.69 109.907 -179.79 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.44 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 90.0 mttt -72.1 -6.26 41.22 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 115.431 -0.804 . . . . 2.44 111.322 -179.121 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 49.1 m-80 -88.59 -22.36 23.55 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.526 -0.546 . . . . 1.94 109.526 176.409 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.859 HD13 ' HA ' ' A' ' 72' ' ' ALA . 60.2 mt -68.2 -68.33 0.4 Allowed 'General case' 0 C--O 1.239 0.546 0 O-C-N 123.322 0.389 . . . . 1.67 110.355 -175.217 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 29.0 mmtp 75.59 -44.92 0.53 Allowed 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.339 1.056 . . . . 3.18 113.491 177.172 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.415 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 29.8 p -111.97 156.94 21.32 Favored 'General case' 0 N--CA 1.392 -3.359 0 CA-C-O 121.587 0.708 . . . . 0.51 112.316 -175.893 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.729 HG11 HG13 ' A' ' 26' ' ' VAL . 2.9 m -62.37 -27.86 43.5 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.861 0 CA-C-N 114.174 -1.376 . . . . 0.35 111.568 175.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -77.81 -38.54 27.04 Favored Glycine 0 N--CA 1.434 -1.437 0 C-N-CA 120.862 -0.685 . . . . 0.3 111.855 177.621 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.477 ' OD1' ' HA ' ' A' ' 66' ' ' LEU . 8.4 t70 -76.99 -30.19 55.82 Favored 'General case' 0 CA--C 1.512 -0.505 0 N-CA-C 109.529 -0.545 . . . . 1.79 109.529 -177.661 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.859 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -56.82 -56.49 20.87 Favored 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 107.997 -1.112 . . . . 0.29 107.997 173.405 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.516 ' HA ' HG21 ' A' ' 7' ' ' ILE . 86.5 m -48.39 -53.99 15.64 Favored 'General case' 0 C--O 1.176 -2.768 0 CA-C-N 115.173 -0.921 . . . . 0.31 111.228 169.857 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 58.5 tptt -48.85 -35.15 13.96 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.637 0.775 . . . . 2.93 112.206 178.341 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.407 ' CE1' HG12 ' A' ' 58' ' ' ILE . 36.4 t80 -72.75 -55.51 6.64 Favored 'General case' 0 C--O 1.212 -0.889 0 N-CA-C 108.112 -1.07 . . . . 0.53 108.112 178.572 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.513 HG21 ' CD2' ' A' ' 54' ' ' PHE . 68.0 mt -59.94 -50.15 81.23 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.65 0 C-N-CA 124.69 1.196 . . . . 0.27 111.131 -178.002 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 58.3 tp -48.45 -36.65 15.37 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.4 1.48 . . . . 1.15 110.894 178.459 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -88.31 -52.44 5.21 Favored 'General case' 0 C--N 1.3 -1.557 0 CA-C-N 115.134 -0.939 . . . . 0.67 111.025 -179.456 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 28.9 m-70 -78.8 5.92 10.24 Favored 'General case' 0 C--N 1.306 -1.295 0 C-N-CA 125.689 1.596 . . . . 1.53 114.298 -173.037 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -31.98 112.06 0.1 Allowed 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 115.599 1.703 . . . . 0.89 115.599 -179.618 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.198 0 C-N-CA 126.628 1.971 . . . . 2.36 114.554 173.124 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.456 ' HA ' ' HG3' ' A' ' 80' ' ' GLN . . . . . . . . 0 CA--C 1.506 -0.734 0 N-CA-C 109.093 -0.706 . . . . 2.05 109.093 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -127.63 174.31 9.18 Favored 'General case' 0 N--CA 1.43 -1.44 0 N-CA-C 108.196 -1.039 . . . . 1.02 108.196 178.251 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.642 ' O ' HG13 ' A' ' 7' ' ' ILE . 0.5 OUTLIER -83.26 122.75 28.83 Favored 'General case' 0 C--N 1.283 -2.308 0 N-CA-C 107.556 -1.275 . . . . 1.05 107.556 -178.139 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -52.85 -41.1 63.95 Favored 'General case' 0 N--CA 1.489 1.518 0 CA-C-O 121.596 0.713 . . . . 1.25 111.545 -173.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -72.01 -27.83 62.99 Favored 'General case' 0 C--N 1.296 -1.728 0 CA-C-N 114.872 -1.058 . . . . 2.3 110.399 -176.239 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.514 ' HB3' ' O ' ' A' ' 3' ' ' THR . 40.9 tt0 -75.03 -36.03 61.91 Favored 'General case' 0 C--N 1.305 -1.359 0 N-CA-C 108.201 -1.037 . . . . 1.92 108.201 177.605 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.642 HG13 ' O ' ' A' ' 3' ' ' THR . 29.8 mt -64.07 -56.48 16.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 107.73 -1.211 . . . . 0.29 107.73 176.129 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.608 ' HA ' HD12 ' A' ' 11' ' ' LEU . 93.7 t -53.75 -40.85 45.12 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.993 0 CA-C-N 115.481 -0.781 . . . . 0.32 110.795 176.485 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.93 -32.01 72.97 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.958 0.409 . . . . 0.32 111.194 177.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.38 -37.45 90.4 Favored Glycine 0 C--O 1.215 -1.078 0 N-CA-C 110.451 -1.06 . . . . 0.31 110.451 176.394 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.608 HD12 ' HA ' ' A' ' 8' ' ' VAL . 63.8 mt -65.87 -50.38 64.72 Favored 'General case' 0 C--N 1.31 -1.137 0 N-CA-C 108.278 -1.008 . . . . 0.29 108.278 175.426 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.481 ' HA ' HG21 ' A' ' 26' ' ' VAL . . . -51.93 -45.94 64.5 Favored 'General case' 0 C--N 1.318 -0.786 0 C-N-CA 125.108 1.363 . . . . 0.24 113.091 -178.247 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -66.34 -26.2 67.18 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 113.065 0.765 . . . . 1.46 113.065 -177.105 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.485 HD11 ' HG2' ' A' ' 53' ' ' ARG . 85.7 mt -85.78 -42.47 16.05 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.754 0 N-CA-C 108.84 -0.8 . . . . 0.41 108.84 179.205 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.406 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 78.3 t -62.07 -40.62 88.09 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.996 0 CA-C-N 115.466 -0.788 . . . . 0.29 110.937 178.78 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.524 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 62.4 t30 -61.51 -33.33 73.62 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 121.02 0.438 . . . . 0.64 110.542 179.492 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -79.84 -61.99 1.82 Allowed 'General case' 0 C--N 1.305 -1.33 0 CA-C-N 115.099 -0.955 . . . . 2.0 110.795 -177.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.556 HG21 ' HB2' ' A' ' 45' ' ' GLU . 87.6 mt -76.98 -52.73 16.22 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.043 0 CA-C-N 115.304 -0.862 . . . . 0.28 112.922 -172.771 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.576 ' HB2' HG13 ' A' ' 38' ' ' VAL . . . -74.05 -42.11 60.73 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-O 121.529 0.68 . . . . 0.34 109.334 -179.441 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 92.27 28.18 13.83 Favored Glycine 0 N--CA 1.436 -1.345 0 CA-C-N 114.828 -1.078 . . . . 0.46 110.747 -177.57 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.524 ' O ' ' HA ' ' A' ' 16' ' ' ASN . 49.5 mm -111.69 131.24 22.47 Favored Pre-proline 0 C--N 1.311 -1.066 0 N-CA-C 108.316 -0.994 . . . . 0.42 108.316 -179.175 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.465 ' HD2' ' HA ' ' A' ' 21' ' ' ILE . 4.5 Cg_exo -33.11 129.72 0.12 Allowed 'Trans proline' 0 C--N 1.356 0.967 1 C-N-CA 125.601 4.201 . . . . 0.41 115.486 176.874 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 66.3 t -56.19 -39.05 57.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 N-CA-C 107.174 -1.417 . . . . 0.69 107.174 176.176 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.524 ' O ' ' HE3' ' A' ' 27' ' ' LYS . 29.6 mm-40 -78.17 -19.95 52.92 Favored 'General case' 0 N--CA 1.412 -2.367 0 CA-C-N 113.118 -1.855 . . . . 2.34 113.224 -173.733 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.406 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 25.1 t0 -91.4 -0.52 57.65 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-O 122.652 1.215 . . . . 0.69 109.445 -179.641 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.633 HG13 HG11 ' A' ' 69' ' ' VAL . 41.3 t -80.75 80.64 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.42 -1.935 0 CA-C-O 123.156 1.455 . . . . 0.4 107.493 172.716 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.524 ' HE3' ' O ' ' A' ' 24' ' ' GLU . 26.1 mmtp -81.56 -146.01 0.06 Allowed 'General case' 0 C--N 1.308 -1.199 0 CA-C-N 111.806 -2.452 . . . . 1.67 107.942 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.459 ' HA ' HG23 ' A' ' 69' ' ' VAL . 4.9 tt -122.2 -17.35 7.19 Favored 'General case' 0 C--N 1.304 -1.376 0 C-N-CA 119.275 -0.97 . . . . 1.08 111.523 -179.529 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -87.64 -11.77 47.47 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-O 122.288 1.042 . . . . 2.11 109.625 176.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.671 ' O ' HG22 ' A' ' 69' ' ' VAL . 70.8 mmtt -70.21 114.14 8.06 Favored 'General case' 0 C--N 1.3 -1.568 0 CA-C-N 114.582 -1.19 . . . . 1.02 113.465 -172.194 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.642 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 5.2 p -81.51 109.62 16.14 Favored 'General case' 0 N--CA 1.392 -3.358 0 N-CA-C 107.606 -1.257 . . . . 1.16 107.606 171.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.678 ' HA ' HD12 ' A' ' 36' ' ' LEU . 64.9 m-85 -29.81 -86.57 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.314 0 N-CA-C 114.154 1.168 . . . . 0.36 114.154 176.64 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.498 HG23 ' HB ' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -76.63 40.78 0.24 Allowed 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 114.326 1.232 . . . . 0.47 114.326 178.295 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -150.43 -68.22 0.19 Allowed 'General case' 0 C--N 1.316 -0.882 0 O-C-N 121.764 -0.585 . . . . 0.73 112.461 179.242 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -80.32 -44.1 20.09 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 108.917 -0.771 . . . . 1.46 108.917 -178.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.678 HD12 ' HA ' ' A' ' 32' ' ' PHE . 95.8 mt -72.07 -46.85 55.3 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 108.638 -0.875 . . . . 0.58 108.638 177.416 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.5 t70 74.35 85.67 0.1 Allowed 'General case' 0 CA--C 1.516 -0.358 0 C-N-CA 125.414 1.486 . . . . 1.14 110.924 178.285 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.576 HG13 ' HB2' ' A' ' 19' ' ' ALA . 89.1 t -87.72 -90.03 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.305 -1.345 0 CA-C-N 113.97 -1.468 . . . . 1.79 109.997 -176.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.484 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 16.5 t70 170.91 167.64 0.07 Allowed 'General case' 0 CA--C 1.49 -1.346 0 N-CA-C 103.121 -2.918 . . . . 0.79 103.121 -177.783 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 31.5 t -87.69 -39.78 14.7 Favored 'General case' 0 C--N 1.253 -3.608 0 CA-C-O 121.941 0.877 . . . . 1.23 108.683 -173.381 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 28.1 mt -87.03 -30.94 20.82 Favored 'General case' 0 C--N 1.297 -1.695 0 CA-C-N 114.963 -1.017 . . . . 1.02 109.953 -173.474 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.495 ' HB3' HG22 ' A' ' 18' ' ' ILE . 31.5 m -72.1 -24.62 61.52 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-O 121.426 0.631 . . . . 1.02 109.537 177.282 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.545 ' HE3' ' HB3' ' A' ' 32' ' ' PHE . 32.5 tpp -59.0 -44.18 91.61 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 115.557 -0.747 . . . . 0.55 111.225 179.302 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 39.6 t -66.01 -23.54 32.3 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 CA-C-N 115.612 -0.722 . . . . 0.56 111.218 -176.625 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.556 ' HB2' HG21 ' A' ' 18' ' ' ILE . 37.8 mt-10 -74.95 -35.44 62.14 Favored 'General case' 0 N--CA 1.439 -1.0 0 N-CA-C 109.195 -0.668 . . . . 2.08 109.195 178.322 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 62.6 t -63.12 -47.27 93.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 108.245 -1.021 . . . . 0.52 108.245 177.03 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.599 HG21 HG11 ' A' ' 63' ' ' VAL . 31.9 t -58.36 -57.77 9.45 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.335 -0.848 . . . . 0.38 110.735 179.022 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.547 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 2.1 p -56.0 -41.11 66.86 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 CA-C-O 121.571 0.7 . . . . 0.58 111.626 -177.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.39 -35.18 73.32 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 115.503 -0.771 . . . . 0.42 111.167 178.417 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.2 -34.12 73.18 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 122.88 0.472 . . . . 0.38 111.279 -179.032 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.573 ' HG2' ' H ' ' A' ' 58' ' ' ILE . 39.2 mt-10 -56.26 -42.62 77.71 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.433 0.635 . . . . 1.36 110.653 179.381 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -83.35 -35.88 24.82 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-N 116.022 -0.535 . . . . 2.09 111.398 178.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.485 ' HG2' HD11 ' A' ' 14' ' ' ILE . 6.8 tpm_? -67.1 -37.43 83.92 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.788 -0.642 . . . . 2.75 111.378 -174.054 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.503 ' CD2' HG21 ' A' ' 76' ' ' ILE . 69.3 m-85 -101.73 -11.85 18.81 Favored 'General case' 0 C--N 1.291 -1.97 0 CA-C-N 115.382 -0.826 . . . . 0.73 111.47 -176.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 59.82 70.41 0.64 Allowed 'General case' 0 CA--C 1.505 -0.771 0 CA-C-O 121.774 0.797 . . . . 2.02 110.019 -173.374 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.439 HG12 ' HB2' ' A' ' 54' ' ' PHE . 14.9 p -160.48 178.74 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.296 -1.748 0 N-CA-C 106.066 -1.827 . . . . 1.61 106.066 -177.132 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.42 ' HD2' ' HA ' ' A' ' 57' ' ' LYS . 45.6 tptt -129.93 99.35 5.07 Favored 'General case' 0 C--N 1.292 -1.925 0 CA-C-N 119.22 0.918 . . . . 1.67 108.761 179.036 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.573 ' H ' ' HG2' ' A' ' 51' ' ' GLU . 19.8 mt -112.5 104.53 55.99 Favored Pre-proline 0 C--N 1.313 -0.995 0 N-CA-C 107.76 -1.2 . . . . 0.49 107.76 -179.158 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -78.41 144.47 20.35 Favored 'Trans proline' 0 N--CA 1.44 -1.676 0 C-N-CA 121.702 1.602 . . . . 0.62 112.005 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.523 ' HA ' ' CG1' ' A' ' 63' ' ' VAL . 7.0 t70 -53.1 -29.73 32.29 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.614 0.766 . . . . 2.0 111.705 176.666 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -50.98 -59.03 4.59 Favored 'General case' 0 C--N 1.308 -1.221 0 CA-C-N 115.246 -0.888 . . . . 2.09 111.468 176.319 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -87.52 -23.03 24.53 Favored 'General case' 0 C--N 1.316 -0.891 0 N-CA-C 112.742 0.645 . . . . 1.58 112.742 -176.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.599 HG11 HG21 ' A' ' 47' ' ' VAL . 2.0 p -57.72 -23.19 19.82 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 CA-C-O 121.228 0.537 . . . . 0.69 111.607 -176.148 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.515 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 58.7 mttm -66.33 -12.97 59.72 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 115.655 -0.702 . . . . 2.44 111.431 -178.3 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -96.86 -5.86 37.24 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.199 -0.455 . . . . 1.94 110.954 -179.016 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.693 HD13 ' HA ' ' A' ' 72' ' ' ALA . 87.2 mt -75.17 -52.1 11.78 Favored 'General case' 0 C--O 1.214 -0.814 0 C-N-CA 120.726 -0.39 . . . . 1.67 110.373 -179.437 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . 0.446 0.1 OUTLIER 59.02 -28.57 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 117.865 2.542 . . . . 3.18 117.865 176.13 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.642 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 75.4 p -125.78 171.11 10.93 Favored 'General case' 0 C--N 1.297 -1.701 0 O-C-N 121.513 -0.742 . . . . 0.51 110.813 176.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.671 HG22 ' O ' ' A' ' 30' ' ' LYS . 3.3 m -69.03 -40.79 81.24 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.71 0 CA-C-N 114.597 -1.183 . . . . 0.35 110.136 173.09 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -66.42 -41.0 94.63 Favored Glycine 0 N--CA 1.44 -1.088 0 CA-C-N 115.997 -0.547 . . . . 0.3 112.438 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.432 ' HB2' ' O ' ' A' ' 66' ' ' LEU . 33.1 m-20 -78.44 -26.05 46.14 Favored 'General case' 0 C--N 1.309 -1.166 0 C-N-CA 120.242 -0.583 . . . . 1.79 111.64 179.761 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.693 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -62.53 -53.14 59.16 Favored 'General case' 0 CA--C 1.515 -0.381 0 N-CA-C 108.154 -1.054 . . . . 0.29 108.154 172.505 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.417 ' HA ' HG21 ' A' ' 7' ' ' ILE . 88.2 m -48.71 -45.43 39.34 Favored 'General case' 0 C--O 1.192 -1.942 0 CA-C-N 115.021 -0.991 . . . . 0.31 111.489 172.323 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -52.03 -39.43 59.53 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 118.248 0.476 . . . . 2.93 112.06 177.667 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.475 ' HB2' HD21 ' A' ' 66' ' ' LEU . 49.5 t80 -72.15 -52.63 15.72 Favored 'General case' 0 C--O 1.195 -1.802 0 N-CA-C 107.974 -1.121 . . . . 0.53 107.974 -178.068 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.528 HG12 HD11 ' A' ' 58' ' ' ILE . 58.7 mt -62.31 -51.02 77.42 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.683 0 C-N-CA 124.102 0.961 . . . . 0.27 110.866 -177.148 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 61.0 tp -54.7 -35.24 63.4 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 122.963 0.505 . . . . 1.15 111.308 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -89.32 -32.38 17.37 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-O 121.603 0.716 . . . . 0.67 111.631 -178.1 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 25.1 m-70 -93.63 5.24 52.28 Favored 'General case' 0 C--N 1.314 -0.943 0 C-N-CA 124.209 1.003 . . . . 1.53 113.125 -176.025 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.456 ' HG3' ' HA ' ' A' ' 1' ' ' ALA . 13.1 mm100 -41.69 134.4 2.49 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 124.35 1.06 . . . . 0.89 111.337 175.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.526 0 N-CA-C 109.506 -0.553 . . . . 2.36 109.506 -178.734 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 101' ' ' SHW . . . . . 0.515 ' S1 ' ' HG2' ' A' ' 64' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.428 ' HA ' ' HG3' ' A' ' 80' ' ' GLN . . . . . . . . 0 CA--C 1.508 -0.671 0 N-CA-C 108.796 -0.816 . . . . 2.05 108.796 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -116.95 173.88 6.41 Favored 'General case' 0 C--N 1.308 -1.207 0 N-CA-C 108.286 -1.005 . . . . 1.02 108.286 178.096 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.506 ' O ' HG13 ' A' ' 7' ' ' ILE . 1.3 p -77.61 122.26 25.06 Favored 'General case' 0 N--CA 1.414 -2.24 0 N-CA-C 107.397 -1.334 . . . . 1.05 107.397 175.751 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.512 ' HA ' HD12 ' A' ' 7' ' ' ILE . 75.1 mt-30 -54.46 -29.35 49.49 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-O 121.854 0.835 . . . . 1.25 110.354 -177.599 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.417 ' CD ' ' H ' ' A' ' 5' ' ' GLU . 2.3 mp0 -65.14 -41.09 95.1 Favored 'General case' 0 C--N 1.305 -1.354 0 CA-C-N 114.223 -1.353 . . . . 2.3 109.817 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -71.6 -30.89 66.32 Favored 'General case' 0 C--O 1.216 -0.683 0 N-CA-C 108.934 -0.765 . . . . 1.92 108.934 -178.362 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.544 ' HB ' HG23 ' A' ' 73' ' ' THR . 31.2 mt -68.6 -57.48 8.8 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.639 0 N-CA-C 108.236 -1.024 . . . . 0.29 108.236 178.643 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.734 HG21 HD11 ' A' ' 28' ' ' LEU . 54.4 t -56.56 -42.35 75.66 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.028 0 CA-C-N 116.085 -0.507 . . . . 0.32 111.363 176.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.64 -34.03 76.96 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 120.879 0.371 . . . . 0.32 110.578 177.668 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.78 -42.67 92.95 Favored Glycine 0 CA--C 1.492 -1.368 0 N-CA-C 110.054 -1.218 . . . . 0.31 110.054 176.666 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.554 ' O ' HG23 ' A' ' 15' ' ' VAL . 96.2 mt -60.29 -49.33 78.01 Favored 'General case' 0 C--N 1.309 -1.173 0 N-CA-C 109.226 -0.657 . . . . 0.29 109.226 174.68 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.445 ' HA ' HG21 ' A' ' 26' ' ' VAL . . . -52.42 -48.42 65.76 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 124.042 0.937 . . . . 0.24 111.975 -179.608 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -62.5 -39.0 92.11 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.842 0.354 . . . . 1.46 111.85 -178.291 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.596 HG22 HG23 ' A' ' 46' ' ' VAL . 95.2 mt -65.39 -50.67 71.45 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.17 0 CA-C-N 115.546 -0.752 . . . . 0.41 109.534 177.069 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 11' ' ' LEU . 86.7 t -55.91 -49.82 72.76 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.883 0 CA-C-N 116.032 -0.531 . . . . 0.29 110.148 179.283 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.499 ' HB2' ' HB ' ' A' ' 23' ' ' VAL . 2.9 t-20 -61.11 -31.23 70.93 Favored 'General case' 0 C--N 1.304 -1.403 0 CA-C-O 121.339 0.59 . . . . 0.64 110.892 -177.825 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -83.5 -42.91 16.34 Favored 'General case' 0 CA--C 1.557 1.249 0 CA-C-N 115.56 -0.746 . . . . 2.0 112.442 -177.677 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.425 HG21 ' HB2' ' A' ' 45' ' ' GLU . 91.1 mt -94.35 -53.33 8.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 CA-C-O 121.3 0.571 . . . . 0.28 111.43 -177.809 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.566 ' HA ' HG21 ' A' ' 38' ' ' VAL . . . -75.06 -34.22 61.79 Favored 'General case' 0 C--N 1.306 -1.303 0 CA-C-O 121.357 0.599 . . . . 0.34 110.257 -176.651 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.74 8.81 83.95 Favored Glycine 0 N--CA 1.448 -0.501 0 N-CA-C 111.139 -0.784 . . . . 0.46 111.139 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.506 HG21 ' HB3' ' A' ' 36' ' ' LEU . 48.3 mm -85.86 138.78 35.1 Favored Pre-proline 0 C--N 1.306 -1.315 0 N-CA-C 108.176 -1.046 . . . . 0.42 108.176 -179.235 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.43 ' HB2' ' HB2' ' A' ' 25' ' ' ASP . 7.6 Cg_exo -33.07 119.78 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.104 0 C-N-CA 125.173 3.915 . . . . 0.41 114.083 174.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.499 ' HB ' ' HB2' ' A' ' 16' ' ' ASN . 12.4 p -68.47 -13.41 17.07 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-O 123.074 1.416 . . . . 0.69 109.802 -178.505 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -97.76 -18.04 19.03 Favored 'General case' 0 C--N 1.28 -2.445 0 CA-C-N 113.163 -1.835 . . . . 2.34 110.932 -177.084 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.618 ' O ' ' HE3' ' A' ' 30' ' ' LYS . 13.9 t70 -90.9 -2.93 57.68 Favored 'General case' 0 C--O 1.214 -0.794 0 CA-C-O 122.193 0.997 . . . . 0.69 108.917 -176.317 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.445 HG21 ' HA ' ' A' ' 12' ' ' ALA . 99.5 t -77.75 73.37 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.5 0 CA-C-O 122.671 1.224 . . . . 0.4 109.122 178.246 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.783 ' O ' HG21 ' A' ' 69' ' ' VAL . 81.2 mttt -91.57 -175.48 4.21 Favored 'General case' 0 C--O 1.199 -1.565 0 N-CA-C 105.998 -1.853 . . . . 1.67 105.998 176.252 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.734 HD11 HG21 ' A' ' 8' ' ' VAL . 10.5 mp -90.25 1.78 56.13 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 115.269 1.581 . . . . 1.08 115.269 -175.625 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -102.35 7.29 40.55 Favored 'General case' 0 C--N 1.298 -1.655 0 CA-C-O 122.897 1.332 . . . . 2.11 108.809 179.385 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.618 ' HE3' ' O ' ' A' ' 25' ' ' ASP . 70.2 mmtt -85.93 114.31 22.74 Favored 'General case' 0 C--N 1.308 -1.222 0 CA-C-N 114.408 -1.269 . . . . 1.02 113.087 -175.499 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.3 m -91.26 27.48 1.9 Allowed 'General case' 0 C--N 1.303 -1.441 0 C-N-CA 123.504 0.722 . . . . 1.16 112.212 178.656 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.633 ' HA ' HD12 ' A' ' 36' ' ' LEU . 71.7 m-85 57.53 -109.75 0.5 Allowed 'General case' 0 N--CA 1.462 0.138 0 N-CA-C 113.989 1.107 . . . . 0.36 113.989 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -74.71 68.38 1.68 Allowed 'General case' 0 C--N 1.315 -0.921 0 CA-C-O 121.91 0.862 . . . . 0.47 111.686 179.178 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -172.91 -59.37 0.02 OUTLIER 'General case' 0 C--N 1.311 -1.108 0 CA-C-N 114.088 -1.415 . . . . 0.73 107.778 -177.477 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -93.54 -50.6 5.34 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.261 -0.882 . . . . 1.46 109.103 -178.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.633 HD12 ' HA ' ' A' ' 32' ' ' PHE . 87.2 mt -71.05 -53.23 15.42 Favored 'General case' 0 C--O 1.219 -0.55 0 N-CA-C 108.31 -0.996 . . . . 0.58 108.31 177.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.5 t70 67.99 95.9 0.06 Allowed 'General case' 0 CA--C 1.505 -0.753 0 CA-C-N 114.71 -1.132 . . . . 1.14 112.165 175.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.661 HG13 ' H ' ' A' ' 39' ' ' ASP . 2.8 p -119.48 -88.3 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.413 -2.278 0 CA-C-N 115.233 -0.894 . . . . 1.79 113.178 179.251 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.661 ' H ' HG13 ' A' ' 38' ' ' VAL . 9.0 t70 -166.46 -174.69 2.93 Favored 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 105.931 -1.878 . . . . 0.79 105.931 -172.129 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 41.3 t -93.79 -38.0 11.49 Favored 'General case' 0 C--N 1.277 -2.551 0 C-N-CA 123.575 0.75 . . . . 1.23 109.233 -177.358 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 76.6 mt -73.53 -37.34 65.66 Favored 'General case' 0 C--N 1.307 -1.271 0 CA-C-N 115.184 -0.916 . . . . 1.02 110.171 -173.33 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.2 m -74.2 -15.32 61.01 Favored 'General case' 0 N--CA 1.433 -1.317 0 CA-C-N 114.881 -1.054 . . . . 1.02 110.367 -179.444 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.568 ' O ' HG12 ' A' ' 46' ' ' VAL . 31.1 tpp -81.05 -44.55 17.87 Favored 'General case' 0 N--CA 1.427 -1.589 0 CA-C-N 115.766 -0.652 . . . . 0.55 109.529 179.295 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 58.3 t -63.65 -41.11 91.5 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.336 0 N-CA-C 109.186 -0.672 . . . . 0.56 109.186 179.531 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.425 ' HB2' HG21 ' A' ' 18' ' ' ILE . 42.8 mt-10 -73.8 -29.88 62.42 Favored 'General case' 0 N--CA 1.425 -1.687 0 C-N-CA 120.437 -0.505 . . . . 2.08 112.054 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.811 HG13 ' H7 ' ' A' ' 101' ' ' SHW . 4.7 p -68.65 -36.37 74.17 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 N-CA-C 109.329 -0.619 . . . . 0.52 109.329 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 43' ' ' MET . 86.8 t -62.0 -63.17 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-N 114.645 -1.162 . . . . 0.38 108.557 173.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 90.4 t -49.04 -46.7 17.23 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.205 0 CA-C-N 115.831 -0.622 . . . . 0.58 112.521 177.442 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.89 -33.96 77.03 Favored 'General case' 0 C--N 1.315 -0.925 0 O-C-N 121.892 -0.505 . . . . 0.42 112.021 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.85 -38.54 91.22 Favored 'General case' 0 C--O 1.244 0.774 0 N-CA-C 109.609 -0.515 . . . . 0.38 109.609 178.027 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.67 ' HG2' ' H ' ' A' ' 58' ' ' ILE . 34.6 mt-10 -59.16 -47.43 85.32 Favored 'General case' 0 C--O 1.202 -1.417 0 CA-C-N 115.37 -0.832 . . . . 1.36 109.356 178.304 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -75.45 -28.23 59.22 Favored 'General case' 0 C--N 1.301 -1.538 0 CA-C-N 114.839 -1.073 . . . . 2.09 111.683 -175.119 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.5 tpm_? -74.53 -43.09 57.46 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.722 0.772 . . . . 2.75 109.815 -178.502 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.501 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 43.3 m-85 -101.28 -2.61 30.68 Favored 'General case' 0 C--N 1.305 -1.357 0 CA-C-N 115.303 -0.862 . . . . 0.73 111.55 -175.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.6 t70 70.84 -0.22 3.09 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 125.727 1.611 . . . . 2.02 111.584 178.322 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.59 ' O ' ' HA ' ' A' ' 51' ' ' GLU . 3.2 p -100.61 115.26 41.72 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-N 115.68 -0.691 . . . . 1.61 110.062 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.425 ' O ' ' HD3' ' A' ' 59' ' ' PRO . 31.2 mmmt -64.05 102.13 0.46 Allowed 'General case' 0 C--N 1.3 -1.544 0 CA-C-N 115.354 -0.839 . . . . 1.67 111.56 178.773 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.67 ' H ' ' HG2' ' A' ' 51' ' ' GLU . 50.7 mt -99.25 100.71 10.84 Favored Pre-proline 0 C--N 1.296 -1.72 0 N-CA-C 106.394 -1.706 . . . . 0.49 106.394 175.811 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.545 ' HD2' ' HB2' ' A' ' 62' ' ' ASP . 14.8 Cg_exo -66.74 147.51 81.35 Favored 'Trans proline' 0 N--CA 1.439 -1.705 0 C-N-CA 121.696 1.597 . . . . 0.62 111.766 -176.686 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.479 ' O ' HG12 ' A' ' 63' ' ' VAL . 3.7 p30 -58.92 -21.11 57.29 Favored 'General case' 0 C--O 1.213 -0.844 0 C-N-CA 123.444 0.698 . . . . 2.0 110.627 175.191 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.426 ' HA ' ' HE3' ' A' ' 64' ' ' LYS . 17.6 t70 -83.36 -35.22 25.31 Favored 'General case' 0 C--N 1.313 -0.979 0 C-N-CA 120.672 -0.411 . . . . 2.09 111.36 178.118 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.545 ' HB2' ' HD2' ' A' ' 59' ' ' PRO . 4.7 m-20 -78.44 -31.86 48.27 Favored 'General case' 0 CA--C 1.48 -1.723 0 O-C-N 122.12 -0.363 . . . . 1.58 111.3 177.016 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.513 HG21 HG22 ' A' ' 47' ' ' VAL . 2.5 p -59.83 -22.52 24.12 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.147 0 CA-C-O 121.605 0.717 . . . . 0.69 110.925 -178.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.507 ' HA ' ' O1 ' ' A' ' 101' ' ' SHW . 94.1 mttt -61.84 -33.52 74.31 Favored 'General case' 0 N--CA 1.439 -0.98 0 CA-C-N 114.466 -1.243 . . . . 2.44 112.18 179.161 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 9.7 p-10 -88.54 -9.72 51.35 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 119.286 -0.966 . . . . 1.94 110.193 -178.219 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.858 HD13 ' HA ' ' A' ' 72' ' ' ALA . 51.0 mt -80.31 -61.96 1.82 Allowed 'General case' 0 N--CA 1.437 -1.108 0 N-CA-C 107.795 -1.187 . . . . 1.67 107.795 178.65 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.821 ' HE2' ' H3 ' ' A' ' 101' ' ' SHW . 0.0 OUTLIER 69.14 -35.36 0.3 Allowed 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.184 1.393 . . . . 3.18 114.303 178.275 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 36.9 p -114.21 169.79 8.76 Favored 'General case' 0 C--N 1.301 -1.536 0 CA-C-O 121.583 0.706 . . . . 0.51 112.578 -178.103 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.783 HG21 ' O ' ' A' ' 27' ' ' LYS . 3.4 m -61.93 -44.66 99.2 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.111 0 CA-C-N 113.895 -1.502 . . . . 0.35 109.438 171.59 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.462 ' N ' HG23 ' A' ' 69' ' ' VAL . . . -61.5 -49.35 77.9 Favored Glycine 0 N--CA 1.434 -1.497 0 CA-C-N 115.144 -0.935 . . . . 0.3 112.188 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.426 ' HB3' ' HA ' ' A' ' 66' ' ' LEU . 0.9 OUTLIER -69.36 -29.26 67.01 Favored 'General case' 0 CA--C 1.509 -0.627 0 CA-C-N 117.396 0.598 . . . . 1.79 111.967 178.434 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.858 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -60.94 -59.29 5.61 Favored 'General case' 0 C--O 1.222 -0.363 0 N-CA-C 108.463 -0.94 . . . . 0.29 108.463 174.529 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.544 HG23 ' HB ' ' A' ' 7' ' ' ILE . 76.7 m -48.31 -48.35 36.06 Favored 'General case' 0 C--O 1.189 -2.103 0 C-N-CA 123.938 0.895 . . . . 0.31 111.835 173.411 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.404 ' HB3' ' HA ' ' A' ' 71' ' ' ASP . 84.5 tttt -51.83 -42.74 62.79 Favored 'General case' 0 C--N 1.307 -1.257 0 C-N-CA 125.424 1.489 . . . . 2.93 111.319 177.118 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 57.8 t80 -70.08 -47.43 61.96 Favored 'General case' 0 C--O 1.212 -0.872 0 N-CA-C 108.854 -0.795 . . . . 0.53 108.854 179.005 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.534 HG12 HD11 ' A' ' 58' ' ' ILE . 67.7 mt -63.66 -45.83 96.39 Favored 'Isoleucine or valine' 0 C--O 1.194 -1.838 0 CA-C-N 114.983 -1.008 . . . . 0.27 110.532 -178.161 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 48.4 tp -57.36 -32.27 66.58 Favored 'General case' 0 C--N 1.313 -1.004 0 C-N-CA 123.826 0.85 . . . . 1.15 110.633 179.516 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -88.23 -36.21 16.88 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 121.687 0.756 . . . . 0.67 111.447 179.113 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.456 ' HB3' HG21 ' A' ' 56' ' ' VAL . 15.9 m-70 -92.46 5.35 51.1 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 114.033 1.123 . . . . 1.53 114.033 -175.199 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.428 ' HG3' ' HA ' ' A' ' 1' ' ' ALA . 16.3 mm100 -33.49 130.69 0.25 Allowed 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 125.976 1.711 . . . . 0.89 114.716 178.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.482 0 N-CA-C 107.873 -1.158 . . . . 2.36 107.873 179.187 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 101' ' ' SHW . . . . . 0.821 ' H3 ' ' HE2' ' A' ' 67' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.513 -0.473 0 N-CA-C 109.126 -0.694 . . . . 2.05 109.126 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -135.52 -170.82 2.69 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 108.359 -0.978 . . . . 1.02 108.359 177.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.455 ' O ' HG13 ' A' ' 7' ' ' ILE . 19.1 p -90.11 122.22 32.89 Favored 'General case' 0 C--N 1.292 -1.907 0 N-CA-C 108.188 -1.042 . . . . 1.05 108.188 177.213 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.401 ' HA ' HD12 ' A' ' 7' ' ' ILE . 52.5 mt-30 -43.51 -37.67 2.55 Favored 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 114.144 1.164 . . . . 1.25 114.144 -176.68 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -69.03 -31.0 69.47 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 111.68 0.252 . . . . 2.3 111.68 -178.588 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.6 tp10 -73.8 -34.1 64.49 Favored 'General case' 0 C--N 1.314 -0.976 0 N-CA-C 108.362 -0.977 . . . . 1.92 108.362 -179.112 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.533 ' HB ' HG23 ' A' ' 73' ' ' THR . 18.3 mt -67.76 -56.4 13.23 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.382 0 CA-C-N 114.6 -1.182 . . . . 0.29 108.307 179.019 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.786 HG21 HD11 ' A' ' 28' ' ' LEU . 57.5 t -54.16 -41.04 49.4 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.017 0 CA-C-N 115.99 -0.55 . . . . 0.32 111.103 176.222 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.58 -33.64 76.38 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-O 121.163 0.506 . . . . 0.32 110.245 177.464 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.06 -43.48 90.5 Favored Glycine 0 N--CA 1.436 -1.314 0 N-CA-C 110.108 -1.197 . . . . 0.31 110.108 176.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.471 ' O ' HG23 ' A' ' 15' ' ' VAL . 96.6 mt -59.63 -48.44 81.64 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 109.161 -0.681 . . . . 0.29 109.161 176.111 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.34 -44.06 71.78 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 114.835 -1.075 . . . . 0.24 112.258 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -68.25 -37.71 81.04 Favored 'General case' 0 CA--C 1.517 -0.326 0 C-N-CA 119.953 -0.699 . . . . 1.46 111.941 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 95.4 mt -62.86 -49.18 84.68 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.186 0 N-CA-C 109.161 -0.681 . . . . 0.41 109.161 176.528 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 11' ' ' LEU . 96.5 t -57.9 -48.96 82.67 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.263 0 CA-C-N 115.718 -0.673 . . . . 0.29 110.184 178.025 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -63.53 -32.59 74.09 Favored 'General case' 0 C--N 1.302 -1.498 0 CA-C-O 121.168 0.508 . . . . 0.64 111.509 -179.261 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -74.46 -44.56 51.07 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 115.885 -0.598 . . . . 2.0 110.725 -179.098 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.689 HG21 ' HB2' ' A' ' 45' ' ' GLU . 72.8 mt -98.24 -52.73 8.69 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 N-CA-C 113.049 0.759 . . . . 0.28 113.049 -173.381 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.663 ' HB2' HG13 ' A' ' 38' ' ' VAL . . . -74.89 -40.52 60.87 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 109.135 -0.691 . . . . 0.34 109.135 179.556 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.4 3.31 61.44 Favored Glycine 0 N--CA 1.451 -0.366 0 CA-C-N 115.046 -0.979 . . . . 0.46 111.14 -179.165 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.469 ' HA ' ' HD2' ' A' ' 22' ' ' PRO . 50.6 mm -81.8 137.31 47.26 Favored Pre-proline 0 C--N 1.311 -1.074 0 C-N-CA 123.641 0.776 . . . . 0.42 110.286 -176.477 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.469 ' HD2' ' HA ' ' A' ' 21' ' ' ILE . 6.3 Cg_exo -33.91 128.71 0.17 Allowed 'Trans proline' 0 C--N 1.359 1.103 1 C-N-CA 125.729 4.286 . . . . 0.41 115.426 175.137 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 66.5 t -57.45 -37.55 58.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 113.825 -1.534 . . . . 0.69 108.284 178.565 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.562 ' O ' ' HE2' ' A' ' 27' ' ' LYS . 9.3 pt-20 -97.83 11.05 38.57 Favored 'General case' 0 N--CA 1.41 -2.451 0 N-CA-C 114.915 1.45 . . . . 2.34 114.915 -176.371 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.515 ' O ' ' HE3' ' A' ' 30' ' ' LYS . 17.8 t70 -91.74 -12.87 32.7 Favored 'General case' 0 C--O 1.211 -0.95 0 N-CA-C 105.679 -1.971 . . . . 0.69 105.679 169.613 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 50.7 t -80.24 78.85 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.049 0 CA-C-N 113.64 -1.618 . . . . 0.4 109.34 179.159 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.733 ' O ' HG21 ' A' ' 69' ' ' VAL . 74.2 mmtt -92.91 -160.55 0.76 Allowed 'General case' 0 C--O 1.2 -1.507 0 N-CA-C 105.996 -1.853 . . . . 1.67 105.996 175.242 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.786 HD11 HG21 ' A' ' 8' ' ' VAL . 10.9 mp -104.71 10.85 34.56 Favored 'General case' 0 N--CA 1.485 1.288 0 CA-C-N 119.275 0.943 . . . . 1.08 112.624 179.461 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -110.64 13.8 22.45 Favored 'General case' 0 C--N 1.28 -2.427 0 N-CA-C 108.014 -1.106 . . . . 2.11 108.014 -179.235 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.596 ' O ' HG22 ' A' ' 69' ' ' VAL . 66.1 mmtt -105.62 118.65 37.13 Favored 'General case' 0 N--CA 1.423 -1.78 0 CA-C-N 114.449 -1.25 . . . . 1.02 114.223 -170.386 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.701 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 14.6 m -91.23 112.39 24.28 Favored 'General case' 0 N--CA 1.394 -3.246 0 N-CA-C 106.351 -1.722 . . . . 1.16 106.351 170.661 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.779 ' HA ' HD12 ' A' ' 36' ' ' LEU . 97.4 m-85 -34.57 -83.09 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.867 1.267 . . . . 0.36 113.911 177.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.508 HG23 ' HB ' ' A' ' 38' ' ' VAL . 0.7 OUTLIER -79.79 56.16 2.22 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 114.843 1.423 . . . . 0.47 114.843 177.569 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.701 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 14.3 t70 -158.51 -66.15 0.09 Allowed 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 114.768 -1.106 . . . . 0.73 110.166 177.127 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -90.99 -44.44 9.33 Favored 'General case' 0 CA--C 1.501 -0.913 0 CA-C-N 116.266 -0.425 . . . . 1.46 109.984 -175.126 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.779 HD12 ' HA ' ' A' ' 32' ' ' PHE . 96.6 mt -69.71 -40.02 76.53 Favored 'General case' 0 CA--C 1.511 -0.531 0 N-CA-C 109.225 -0.657 . . . . 0.58 109.225 178.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.7 t70 68.92 83.63 0.16 Allowed 'General case' 0 CA--C 1.509 -0.628 0 C-N-CA 124.897 1.279 . . . . 1.14 109.718 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.663 HG13 ' HB2' ' A' ' 19' ' ' ALA . 95.9 t -91.15 -89.33 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.298 -1.671 0 CA-C-N 114.222 -1.354 . . . . 1.79 109.671 -176.533 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.468 ' HB3' ' HB3' ' A' ' 42' ' ' SER . 17.1 t70 164.59 177.95 0.02 OUTLIER 'General case' 0 CA--C 1.504 -0.809 0 N-CA-C 103.147 -2.909 . . . . 0.79 103.147 -179.803 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.441 ' O ' HG23 ' A' ' 44' ' ' VAL . 23.9 t -93.91 -37.13 11.86 Favored 'General case' 0 C--N 1.27 -2.85 0 N-CA-C 109.14 -0.689 . . . . 1.23 109.14 -176.362 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 97.0 mt -78.5 -32.66 48.25 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 108.469 -0.938 . . . . 1.02 108.469 -177.499 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.553 ' OG ' HG22 ' A' ' 18' ' ' ILE . 24.7 t -70.94 -34.99 72.02 Favored 'General case' 0 N--CA 1.419 -1.976 0 CA-C-N 113.895 -1.502 . . . . 1.02 107.868 178.61 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.505 ' HB2' ' HE2' ' A' ' 43' ' ' MET . 26.4 tpp -64.21 -43.38 95.19 Favored 'General case' 0 C--O 1.215 -0.732 0 CA-C-N 116.094 -0.503 . . . . 0.55 110.835 179.28 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 40' ' ' SER . 57.4 t -59.04 -37.72 69.62 Favored 'Isoleucine or valine' 0 C--O 1.236 0.379 0 N-CA-C 109.611 -0.515 . . . . 0.56 109.611 178.079 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.689 ' HB2' HG21 ' A' ' 18' ' ' ILE . 44.0 mt-10 -68.05 -43.45 78.65 Favored 'General case' 0 N--CA 1.433 -1.289 0 N-CA-C 109.631 -0.507 . . . . 2.08 109.631 177.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 42' ' ' SER . 99.3 t -56.28 -49.72 75.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 O-C-N 123.747 0.655 . . . . 0.52 109.641 177.591 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.619 HG13 HG21 ' A' ' 63' ' ' VAL . 76.8 t -51.88 -63.27 0.47 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.617 0 O-C-N 123.871 0.732 . . . . 0.38 110.075 176.641 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 92.3 t -53.32 -46.0 56.97 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.488 0 N-CA-C 112.346 0.498 . . . . 0.58 112.346 178.033 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.37 -32.63 74.32 Favored 'General case' 0 C--N 1.321 -0.643 0 O-C-N 121.96 -0.462 . . . . 0.42 112.054 -178.23 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.41 ' HB2' ' H8B' ' A' ' 101' ' ' SHW . . . -60.69 -39.59 89.07 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-O 120.98 0.419 . . . . 0.38 110.479 178.753 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.693 ' HG2' ' H ' ' A' ' 58' ' ' ILE . 41.7 mt-10 -63.79 -32.41 73.91 Favored 'General case' 0 C--O 1.202 -1.4 0 CA-C-N 115.461 -0.79 . . . . 1.36 110.454 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -83.27 -39.69 20.53 Favored 'General case' 0 C--N 1.292 -1.902 0 CA-C-O 121.577 0.703 . . . . 2.09 109.723 -177.019 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.3 tpm_? -68.55 -39.16 81.2 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.147 -0.933 . . . . 2.75 110.07 -175.692 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.491 ' CE2' HD13 ' A' ' 76' ' ' ILE . 48.2 m-85 -108.02 -1.42 20.54 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 115.455 -0.793 . . . . 0.73 112.261 -176.161 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.7 t70 72.58 -13.9 0.61 Allowed 'General case' 0 N--CA 1.497 1.883 0 C-N-CA 124.535 1.134 . . . . 2.02 113.191 178.336 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.577 ' O ' ' HA ' ' A' ' 51' ' ' GLU . 7.6 p -94.41 124.34 46.86 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.204 0 O-C-N 121.86 -0.525 . . . . 1.61 110.496 -177.16 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -71.8 126.03 28.67 Favored 'General case' 0 C--N 1.304 -1.401 0 CA-C-N 115.288 -0.869 . . . . 1.67 110.261 -178.39 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.742 HG22 HG23 ' A' ' 63' ' ' VAL . 28.7 mt -136.85 93.23 13.84 Favored Pre-proline 0 C--N 1.301 -1.543 0 N-CA-C 106.396 -1.705 . . . . 0.49 106.396 -178.341 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -73.58 156.53 49.44 Favored 'Trans proline' 0 N--CA 1.447 -1.256 0 C-N-CA 121.593 1.528 . . . . 0.62 111.458 -179.5 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.465 ' HA ' ' HB ' ' A' ' 63' ' ' VAL . 3.1 t70 -41.88 -39.29 1.77 Allowed 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 124.772 1.229 . . . . 2.0 111.949 175.112 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -62.1 -38.7 89.88 Favored 'General case' 0 C--N 1.309 -1.157 0 CA-C-N 114.902 -1.045 . . . . 2.09 111.755 -176.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -85.94 -33.35 21.19 Favored 'General case' 0 N--CA 1.485 1.294 0 CA-C-O 121.618 0.723 . . . . 1.58 109.424 176.683 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.742 HG23 HG22 ' A' ' 58' ' ' ILE . 1.4 t -56.49 -27.4 24.81 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.396 0 CA-C-N 114.589 -1.187 . . . . 0.69 111.553 176.357 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.601 ' HA ' ' S1 ' ' A' ' 101' ' ' SHW . 60.5 mmtt -58.58 -28.9 65.99 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.937 -0.574 . . . . 2.44 111.655 177.843 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -85.65 -11.61 53.42 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-O 121.431 0.634 . . . . 1.94 109.777 -175.35 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.577 HD13 ' HA ' ' A' ' 72' ' ' ALA . 67.5 mt -76.63 -60.48 2.33 Favored 'General case' 0 C--O 1.204 -1.3 0 C-N-CA 120.608 -0.437 . . . . 1.67 111.674 -175.617 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.477 ' HA ' ' O1 ' ' A' ' 101' ' ' SHW 0.404 0.1 OUTLIER 57.85 -17.29 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.897 0 N-CA-C 117.099 2.259 . . . . 3.18 117.099 -179.365 . . . . . . . . 4 4 . 1 . 003 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 22.5 p -140.73 170.29 16.04 Favored 'General case' 0 C--O 1.241 0.613 0 CA-C-O 121.417 0.627 . . . . 0.51 111.56 175.647 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.733 HG21 ' O ' ' A' ' 27' ' ' LYS . 4.0 m -62.37 -44.35 99.12 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 CA-C-N 114.575 -1.193 . . . . 0.35 110.619 174.023 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.452 ' N ' HG23 ' A' ' 69' ' ' VAL . . . -59.04 -45.8 94.7 Favored Glycine 0 N--CA 1.442 -0.922 0 CA-C-N 115.452 -0.794 . . . . 0.3 112.676 -179.685 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.431 ' HA ' ' HB3' ' A' ' 74' ' ' LYS . 1.4 m-20 -71.11 -34.54 71.19 Favored 'General case' 0 CA--C 1.494 -1.207 0 CA-C-N 117.234 0.517 . . . . 1.79 111.698 178.017 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.577 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -55.03 -59.12 5.18 Favored 'General case' 0 CA--C 1.516 -0.357 0 N-CA-C 108.061 -1.088 . . . . 0.29 108.061 175.053 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.533 HG23 ' HB ' ' A' ' 7' ' ' ILE . 51.4 m -48.27 -51.66 24.76 Favored 'General case' 0 C--O 1.192 -1.921 0 C-N-CA 123.993 0.917 . . . . 0.31 111.846 171.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.431 ' HB3' ' HA ' ' A' ' 71' ' ' ASP . 50.4 tptt -50.62 -41.57 55.1 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.249 0.62 . . . . 2.93 111.763 178.77 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.421 ' O ' ' HB2' ' A' ' 79' ' ' HIS . 45.4 t80 -69.27 -53.92 17.28 Favored 'General case' 0 C--O 1.202 -1.404 0 N-CA-C 107.924 -1.139 . . . . 0.53 107.924 -178.386 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.491 HD13 ' CE2' ' A' ' 54' ' ' PHE . 71.5 mt -54.23 -54.82 18.19 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.315 0 C-N-CA 124.447 1.099 . . . . 0.27 110.592 178.609 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 61.5 tp -48.57 -48.61 38.69 Favored 'General case' 0 C--N 1.318 -0.794 0 C-N-CA 124.3 1.04 . . . . 1.15 111.459 -179.432 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -84.54 -34.56 23.25 Favored 'General case' 0 C--N 1.302 -1.472 0 CA-C-N 115.223 -0.899 . . . . 0.67 112.604 -174.178 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.421 ' HB2' ' O ' ' A' ' 75' ' ' TYR . 36.3 m-70 -96.24 -7.6 35.13 Favored 'General case' 0 C--N 1.305 -1.351 0 N-CA-C 115.086 1.513 . . . . 1.53 115.086 -171.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -70.69 172.85 7.99 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 114.441 1.274 . . . . 0.89 114.441 -173.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.428 -1.556 0 CA-C-N 114.482 -1.235 . . . . 2.36 110.063 -175.481 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 101' ' ' SHW . . . . . 0.601 ' S1 ' ' HA ' ' A' ' 64' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.719 0 N-CA-C 108.249 -1.019 . . . . 2.05 108.249 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -150.12 145.87 26.57 Favored 'General case' 0 N--CA 1.43 -1.427 0 C-N-CA 120.107 -0.637 . . . . 1.02 109.579 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.456 ' O ' HG13 ' A' ' 7' ' ' ILE . 4.6 m -71.01 125.25 26.35 Favored 'General case' 0 N--CA 1.418 -2.04 0 N-CA-C 106.209 -1.775 . . . . 1.05 106.209 178.82 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.562 ' HA ' HD12 ' A' ' 7' ' ' ILE . 17.6 mt-30 -45.02 -42.5 8.45 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 114.124 1.157 . . . . 1.25 114.124 -172.337 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -65.59 -41.32 92.96 Favored 'General case' 0 C--O 1.2 -1.551 0 N-CA-C 110.247 -0.279 . . . . 2.3 110.247 179.112 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.436 ' HA ' ' HB3' ' A' ' 9' ' ' ALA . 35.7 tt0 -68.86 -21.93 64.24 Favored 'General case' 0 C--N 1.313 -1.018 0 C-N-CA 123.503 0.721 . . . . 1.92 110.402 179.113 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.562 HD12 ' HA ' ' A' ' 4' ' ' GLN . 41.4 mt -69.79 -59.1 3.89 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.824 0 N-CA-C 106.917 -1.512 . . . . 0.29 106.917 174.276 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.598 ' HA ' HD12 ' A' ' 11' ' ' LEU . 66.3 t -56.6 -41.54 73.89 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.067 0 CA-C-N 115.408 -0.815 . . . . 0.32 110.35 177.277 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.436 ' HB3' ' HA ' ' A' ' 6' ' ' GLU . . . -63.72 -38.88 92.77 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 122.938 0.495 . . . . 0.32 110.723 176.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.75 -48.02 86.7 Favored Glycine 0 CA--C 1.495 -1.167 0 N-CA-C 109.819 -1.312 . . . . 0.31 109.819 175.595 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.598 HD12 ' HA ' ' A' ' 8' ' ' VAL . 97.6 mt -56.24 -46.32 79.63 Favored 'General case' 0 N--CA 1.436 -1.134 0 C-N-CA 123.524 0.73 . . . . 0.29 109.659 175.799 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.69 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -58.21 -43.58 87.71 Favored 'General case' 0 C--N 1.315 -0.926 0 C-N-CA 124.111 0.964 . . . . 0.24 112.248 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.502 ' HA ' HG22 ' A' ' 23' ' ' VAL . 10.7 pt-20 -73.33 -28.73 62.23 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 112.9 0.704 . . . . 1.46 112.9 -179.706 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 89.9 mt -67.81 -50.78 56.87 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.194 0 N-CA-C 108.183 -1.043 . . . . 0.41 108.183 172.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.665 HG12 ' HB ' ' A' ' 21' ' ' ILE . 84.2 t -60.24 -35.54 62.73 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.566 0 CA-C-N 115.462 -0.79 . . . . 0.29 110.691 177.835 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.492 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 61.9 t30 -60.04 -39.17 85.01 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-O 121.077 0.465 . . . . 0.64 110.336 178.138 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -79.91 -52.07 8.33 Favored 'General case' 0 C--N 1.306 -1.293 0 CA-C-N 115.34 -0.845 . . . . 2.0 111.742 -176.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.69 HG22 ' HB3' ' A' ' 42' ' ' SER . 68.8 mt -82.16 -53.5 11.74 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 N-CA-C 112.094 0.405 . . . . 0.28 112.094 -174.397 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.763 ' HB2' HG13 ' A' ' 38' ' ' VAL . . . -77.74 -37.87 48.27 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.289 0.566 . . . . 0.34 110.045 -178.399 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.41 28.83 10.86 Favored Glycine 0 N--CA 1.446 -0.663 0 N-CA-C 110.797 -0.921 . . . . 0.46 110.797 -178.356 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.665 ' HB ' HG12 ' A' ' 15' ' ' VAL . 51.5 mm -108.47 126.81 28.71 Favored Pre-proline 0 C--N 1.316 -0.879 0 N-CA-C 109.541 -0.54 . . . . 0.42 109.541 -177.424 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.503 ' HD2' ' HA ' ' A' ' 21' ' ' ILE . 2.9 Cg_exo -34.93 135.49 0.15 Allowed 'Trans proline' 0 N--CA 1.457 -0.652 1 C-N-CA 125.481 4.121 . . . . 0.41 115.094 175.846 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.69 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 29.7 t -65.95 -5.12 2.66 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 CA-C-N 114.366 -1.288 . . . . 0.69 109.318 177.309 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -105.2 -20.46 13.5 Favored 'General case' 0 N--CA 1.422 -1.869 0 CA-C-N 114.82 -1.082 . . . . 2.34 111.346 -178.462 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -84.15 -28.19 27.58 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 108.771 -0.826 . . . . 0.69 108.771 -175.383 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.514 HG22 HD13 ' A' ' 36' ' ' LEU . 88.2 t -84.82 81.4 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.262 0 CA-C-N 113.565 -1.652 . . . . 0.4 109.501 -178.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.589 ' O ' HG21 ' A' ' 69' ' ' VAL . 13.2 pttm -113.98 168.37 9.87 Favored 'General case' 0 C--N 1.289 -2.052 0 CA-C-N 114.139 -1.392 . . . . 1.67 108.21 176.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.76 ' HA ' HG23 ' A' ' 69' ' ' VAL . 4.9 tt -67.42 6.03 0.67 Allowed 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 115.408 1.633 . . . . 1.08 115.408 -166.779 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -110.58 13.59 22.56 Favored 'General case' 0 C--N 1.28 -2.436 0 O-C-N 121.117 -0.99 . . . . 2.11 108.922 179.523 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.558 ' HB3' ' HG ' ' A' ' 36' ' ' LEU . 70.2 mmtt -113.2 135.03 54.26 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 114.153 1.168 . . . . 1.02 114.153 -172.81 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.662 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 16.0 m -94.81 117.72 30.59 Favored 'General case' 0 N--CA 1.402 -2.851 0 N-CA-C 107.105 -1.443 . . . . 1.16 107.105 171.714 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.83 ' HA ' HD12 ' A' ' 36' ' ' LEU . 98.4 m-85 -39.89 -88.47 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 114.208 1.188 . . . . 0.36 114.208 177.772 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.655 HG23 ' HB ' ' A' ' 38' ' ' VAL . 0.3 OUTLIER -80.22 59.24 3.29 Favored 'General case' 0 C--N 1.313 -0.996 0 O-C-N 121.73 -0.606 . . . . 0.47 112.424 178.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -165.52 -65.97 0.03 OUTLIER 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 115.482 -0.781 . . . . 0.73 110.25 179.159 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -91.96 -49.9 5.99 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 116.14 -0.482 . . . . 1.46 109.789 -174.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.83 HD12 ' HA ' ' A' ' 32' ' ' PHE . 89.1 mt -65.84 -43.6 88.01 Favored 'General case' 0 CA--C 1.499 -1.015 0 CA-C-N 115.592 -0.731 . . . . 0.58 110.006 178.419 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.6 t70 73.57 94.38 0.08 Allowed 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 113.253 -1.794 . . . . 1.14 110.607 -175.173 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.763 HG13 ' HB2' ' A' ' 19' ' ' ALA . 69.8 t -87.62 -78.51 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.912 0 N-CA-C 107.258 -1.386 . . . . 1.79 107.258 177.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -179.58 -91.97 0.0 OUTLIER 'General case' 0 C--N 1.29 -1.987 0 CA-C-N 114.274 -1.33 . . . . 0.79 109.272 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.3 t 175.44 -59.04 0.01 OUTLIER 'General case' 0 N--CA 1.431 -1.39 0 N-CA-C 106.839 -1.541 . . . . 1.23 106.839 -176.046 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 84.2 mt -79.26 -32.57 43.75 Favored 'General case' 0 C--N 1.306 -1.313 0 CA-C-O 122.035 0.921 . . . . 1.02 108.863 -175.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.69 ' HB3' HG22 ' A' ' 18' ' ' ILE . 42.6 m -69.93 -14.63 62.81 Favored 'General case' 0 N--CA 1.432 -1.365 0 CA-C-N 114.028 -1.442 . . . . 1.02 110.664 178.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.475 ' HB2' ' HE2' ' A' ' 43' ' ' MET . 29.5 tpp -67.2 -46.79 72.84 Favored 'General case' 0 N--CA 1.429 -1.507 0 CA-C-N 116.181 -0.463 . . . . 0.55 111.681 -178.346 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 59.0 t -65.85 -23.87 33.13 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.13 0 CA-C-N 115.948 -0.569 . . . . 0.56 110.384 -177.532 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.594 ' HB2' HG21 ' A' ' 18' ' ' ILE . 5.7 mm-40 -72.39 -38.22 68.53 Favored 'General case' 0 N--CA 1.437 -1.08 0 N-CA-C 108.007 -1.109 . . . . 2.08 108.007 178.513 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 42' ' ' SER . 84.0 t -64.02 -46.6 93.43 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-N 115.267 -0.878 . . . . 0.52 108.944 178.04 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 43' ' ' MET . 60.2 t -52.55 -63.37 0.48 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.404 0 O-C-N 124.056 0.848 . . . . 0.38 109.137 177.277 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.423 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 91.8 t -48.38 -46.58 14.29 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.666 0 CA-C-N 115.937 -0.574 . . . . 0.58 112.222 174.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.87 -32.78 74.48 Favored 'General case' 0 C--O 1.241 0.607 0 N-CA-C 112.763 0.653 . . . . 0.42 112.763 -178.02 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.57 -35.48 81.13 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 122.423 0.289 . . . . 0.38 110.349 178.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.61 ' HG2' ' H ' ' A' ' 58' ' ' ILE . 31.8 mt-10 -59.67 -43.63 93.91 Favored 'General case' 0 C--O 1.219 -0.552 0 CA-C-O 121.422 0.629 . . . . 1.36 110.078 179.387 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -73.53 -33.59 64.8 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 115.026 -0.988 . . . . 2.09 111.198 -178.483 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 27.3 tpt180 -76.03 -35.24 59.58 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-O 121.097 0.475 . . . . 2.75 111.064 -174.697 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.493 ' CE2' HD13 ' A' ' 76' ' ' ILE . 35.5 m-85 -108.71 -3.9 17.45 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 112.686 0.625 . . . . 0.73 112.686 -175.176 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.3 t70 72.65 1.16 3.89 Favored 'General case' 0 N--CA 1.494 1.74 0 C-N-CA 125.39 1.476 . . . . 2.02 111.738 178.286 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.577 ' O ' ' HA ' ' A' ' 51' ' ' GLU . 3.2 p -104.0 121.63 55.8 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.333 0 CA-C-N 115.68 -0.691 . . . . 1.61 109.733 -179.583 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.458 ' HE2' ' OE2' ' A' ' 51' ' ' GLU . 14.7 mmmm -68.91 131.14 44.62 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 115.821 -0.627 . . . . 1.67 109.403 179.633 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.61 ' H ' ' HG2' ' A' ' 51' ' ' GLU . 37.5 mt -128.32 99.67 24.03 Favored Pre-proline 0 C--N 1.3 -1.566 0 N-CA-C 106.785 -1.561 . . . . 0.49 106.785 -177.438 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -77.03 141.41 20.99 Favored 'Trans proline' 0 N--CA 1.443 -1.445 0 C-N-CA 121.686 1.59 . . . . 0.62 113.365 -176.569 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.622 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 5.5 t70 -36.65 -37.69 0.14 Allowed 'General case' 0 C--O 1.205 -1.238 0 C-N-CA 126.1 1.76 . . . . 2.0 113.802 172.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -81.23 -30.67 34.12 Favored 'General case' 0 C--N 1.309 -1.17 0 N-CA-C 113.182 0.808 . . . . 2.09 113.182 -177.633 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -86.4 -32.19 21.04 Favored 'General case' 0 C--N 1.306 -1.287 0 N-CA-C 107.875 -1.157 . . . . 1.58 107.875 -178.281 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.835 HG22 ' H5 ' ' A' ' 101' ' ' SHW . 1.4 p -61.26 -21.6 25.3 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.01 0 CA-C-N 114.583 -1.19 . . . . 0.69 110.381 179.383 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.648 ' HA ' ' S1 ' ' A' ' 101' ' ' SHW . 95.1 mttt -62.97 -10.39 13.52 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.155 0.982 . . . . 2.44 112.708 177.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -88.48 -24.13 23.06 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 108.405 -0.961 . . . . 1.94 108.405 178.244 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.83 HD13 ' HA ' ' A' ' 72' ' ' ALA . 12.1 mt -96.15 112.33 24.1 Favored 'General case' 0 N--CA 1.411 -2.377 0 N-CA-C 107.956 -1.127 . . . . 1.67 107.956 -173.796 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.547 ' HD2' ' OD2' ' A' ' 71' ' ' ASP 0.277 0.0 OUTLIER -110.38 -28.49 8.54 Favored 'General case' 0 C--N 1.287 -2.149 0 N-CA-C 113.06 0.763 . . . . 3.18 113.06 176.901 . . . . . . . . 4 4 . 1 . 004 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.662 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 72.9 p -104.16 176.61 5.1 Favored 'General case' 0 N--CA 1.436 -1.154 0 C-N-CA 119.369 -0.932 . . . . 0.51 110.817 173.808 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.76 HG23 ' HA ' ' A' ' 28' ' ' LEU . 15.9 m -69.55 -33.64 57.92 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.587 0 CA-C-N 114.542 -1.208 . . . . 0.35 108.958 172.36 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -66.54 -36.78 91.93 Favored Glycine 0 N--CA 1.435 -1.418 0 CA-C-N 115.327 -0.852 . . . . 0.3 111.191 176.644 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.579 ' HB3' ' HA ' ' A' ' 66' ' ' LEU . 26.1 m-20 -67.36 -45.04 77.49 Favored 'General case' 0 CA--C 1.486 -1.504 0 N-CA-C 110.015 -0.365 . . . . 1.79 110.015 176.061 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.83 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -52.99 -59.13 4.93 Favored 'General case' 0 CA--C 1.515 -0.368 0 N-CA-C 108.629 -0.878 . . . . 0.29 108.629 176.786 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 44.0 m -48.56 -44.29 36.47 Favored 'General case' 0 C--O 1.19 -2.075 0 C-N-CA 123.854 0.862 . . . . 0.31 112.084 172.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.504 ' HB3' ' O ' ' A' ' 71' ' ' ASP . 26.2 ttpp -52.48 -39.63 61.43 Favored 'General case' 0 N--CA 1.484 1.255 0 CA-C-N 118.651 0.66 . . . . 2.93 111.317 176.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.606 ' HB2' HD21 ' A' ' 66' ' ' LEU . 60.5 t80 -76.76 -56.75 4.33 Favored 'General case' 0 C--O 1.2 -1.53 0 N-CA-C 108.194 -1.039 . . . . 0.53 108.194 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.493 HD13 ' CE2' ' A' ' 54' ' ' PHE . 70.0 mt -56.54 -52.01 58.33 Favored 'Isoleucine or valine' 0 C--O 1.188 -2.175 0 C-N-CA 124.662 1.185 . . . . 0.27 111.432 -175.779 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.52 HD13 ' HG2' ' A' ' 4' ' ' GLN . 35.1 tp -58.62 -34.31 71.01 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.084 0.553 . . . . 1.15 111.925 -178.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -88.04 -31.38 19.32 Favored 'General case' 0 C--N 1.299 -1.619 0 CA-C-O 122.212 1.006 . . . . 0.67 110.514 -177.429 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 22.5 m-70 -97.15 5.79 49.59 Favored 'General case' 0 C--N 1.295 -1.785 0 CA-C-N 114.663 -1.153 . . . . 1.53 112.391 -176.428 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.401 ' OE1' HG22 ' A' ' 76' ' ' ILE . 9.9 mm100 -42.03 140.98 0.96 Allowed 'General case' 0 C--O 1.241 0.632 0 C-N-CA 124.394 1.078 . . . . 0.89 113.274 177.565 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.424 -1.77 0 CA-C-N 114.773 -1.103 . . . . 2.36 108.317 175.941 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 101' ' ' SHW . . . . . 0.835 ' H5 ' HG22 ' A' ' 63' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.474 ' HA ' ' HG3' ' A' ' 80' ' ' GLN . . . . . . . . 0 CA--C 1.51 -0.573 0 N-CA-C 108.998 -0.742 . . . . 2.05 108.998 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -145.32 155.09 42.98 Favored 'General case' 0 CA--C 1.493 -1.232 0 N-CA-C 106.505 -1.665 . . . . 1.02 106.505 174.638 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.724 HG22 ' HG2' ' A' ' 5' ' ' GLU . 7.5 m -69.05 126.95 31.4 Favored 'General case' 0 C--N 1.294 -1.839 0 N-CA-C 109.259 -0.645 . . . . 1.05 109.259 -177.606 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -53.23 -36.82 61.47 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.811 0.845 . . . . 1.25 112.074 -176.622 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.724 ' HG2' HG22 ' A' ' 3' ' ' THR . 10.8 pt-20 -73.06 -26.56 61.33 Favored 'General case' 0 C--N 1.302 -1.495 0 CA-C-N 115.618 -0.719 . . . . 2.3 110.849 -178.643 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.427 ' HB3' ' O ' ' A' ' 3' ' ' THR . 33.9 tt0 -73.01 -35.75 66.86 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 107.769 -1.197 . . . . 1.92 107.769 177.641 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.586 HG13 ' O ' ' A' ' 3' ' ' THR . 22.3 mt -66.94 -53.58 32.86 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.589 0 CA-C-N 114.261 -1.336 . . . . 0.29 107.977 177.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.758 HG21 HD11 ' A' ' 28' ' ' LEU . 58.5 t -57.62 -37.47 59.02 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.236 0 CA-C-N 116.192 -0.458 . . . . 0.32 111.937 177.143 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.2 -38.64 91.96 Favored 'General case' 0 C--O 1.243 0.736 0 CA-C-O 121.165 0.507 . . . . 0.32 110.056 176.05 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.95 -42.32 85.78 Favored Glycine 0 N--CA 1.436 -1.319 0 N-CA-C 110.673 -0.971 . . . . 0.31 110.673 178.017 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.487 ' O ' HG23 ' A' ' 15' ' ' VAL . 95.4 mt -60.74 -49.09 78.91 Favored 'General case' 0 C--N 1.307 -1.263 0 N-CA-C 110.175 -0.305 . . . . 0.29 110.175 175.746 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.49 -43.1 75.28 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 123.94 0.896 . . . . 0.24 112.393 -178.53 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -64.44 -39.05 93.08 Favored 'General case' 0 C--O 1.239 0.519 0 C-N-CA 120.503 -0.479 . . . . 1.46 111.484 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 91.3 mt -64.55 -52.11 59.14 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.129 0 CA-C-N 115.565 -0.743 . . . . 0.41 109.032 176.597 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 11' ' ' LEU . 95.5 t -54.96 -47.61 76.24 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.901 0 CA-C-N 115.092 -0.958 . . . . 0.29 111.18 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -63.57 -30.71 71.79 Favored 'General case' 0 C--N 1.301 -1.522 0 C-N-CA 120.68 -0.408 . . . . 0.64 111.372 -179.132 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -76.76 -47.25 22.28 Favored 'General case' 0 C--N 1.31 -1.144 0 CA-C-N 116.018 -0.537 . . . . 2.0 110.823 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.598 HG21 ' HB2' ' A' ' 45' ' ' GLU . 69.4 mt -93.9 -53.9 7.88 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.941 0 N-CA-C 112.584 0.587 . . . . 0.28 112.584 -174.391 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.477 ' HB2' HG13 ' A' ' 38' ' ' VAL . . . -75.57 -30.93 59.83 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-O 120.826 0.346 . . . . 0.34 110.535 -177.5 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 82.03 22.22 59.71 Favored Glycine 0 N--CA 1.447 -0.575 0 CA-C-N 115.253 -0.885 . . . . 0.46 111.758 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.693 HG21 HD22 ' A' ' 36' ' ' LEU . 50.1 mm -101.34 136.63 19.62 Favored Pre-proline 0 C--N 1.307 -1.269 0 CA-C-N 115.845 -0.177 . . . . 0.42 110.597 -176.361 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.506 ' HD2' ' HA ' ' A' ' 21' ' ' ILE . 5.5 Cg_exo -33.06 123.58 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.211 1 C-N-CA 125.882 4.388 . . . . 0.41 114.565 173.688 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 61.3 t -56.0 -38.19 51.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.65 0 CA-C-N 114.082 -1.417 . . . . 0.69 109.55 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.301 48.5 mt-10 -97.31 2.4 50.64 Favored 'General case' 0 N--CA 1.42 -1.948 0 N-CA-C 114.634 1.346 . . . . 2.34 114.634 -176.623 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.453 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 33.2 t70 -86.45 -23.09 26.15 Favored 'General case' 0 CA--C 1.498 -1.05 0 N-CA-C 106.961 -1.496 . . . . 0.69 106.961 170.556 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.644 HG13 HG11 ' A' ' 69' ' ' VAL . 41.8 t -70.11 74.07 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.892 0 CA-C-N 114.21 -1.359 . . . . 0.4 109.867 175.724 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.705 ' O ' HG21 ' A' ' 69' ' ' VAL . 46.9 mttp -100.7 177.46 4.99 Favored 'General case' 0 C--O 1.2 -1.513 0 N-CA-C 105.544 -2.021 . . . . 1.67 105.544 175.652 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.758 HD11 HG21 ' A' ' 8' ' ' VAL . 9.7 mp -78.62 0.45 26.36 Favored 'General case' 0 C--N 1.29 -2.004 0 N-CA-C 115.738 1.755 . . . . 1.08 115.738 -170.337 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -104.88 10.9 34.2 Favored 'General case' 0 C--N 1.278 -2.506 0 N-CA-C 108.976 -0.75 . . . . 2.11 108.976 -179.083 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.488 ' O ' HG22 ' A' ' 69' ' ' VAL . 74.9 mmtt -97.65 110.85 23.34 Favored 'General case' 0 N--CA 1.418 -2.054 0 CA-C-N 114.84 -1.073 . . . . 1.02 112.511 -174.678 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.667 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 50.3 m -85.77 114.07 22.44 Favored 'General case' 0 N--CA 1.394 -3.231 0 N-CA-C 106.546 -1.649 . . . . 1.16 106.546 171.297 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.629 ' HA ' HD12 ' A' ' 36' ' ' LEU . 93.7 m-85 -33.66 -83.02 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 124.597 1.159 . . . . 0.36 113.87 179.287 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.581 HG23 ' HB ' ' A' ' 38' ' ' VAL . 1.1 p -84.41 65.38 8.89 Favored 'General case' 0 C--N 1.302 -1.491 0 CA-C-O 121.673 0.749 . . . . 0.47 112.965 176.309 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.667 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 14.0 t70 -161.73 -61.68 0.05 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.277 -1.329 . . . . 0.73 109.464 177.839 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -93.65 -57.94 2.42 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.157 -0.682 . . . . 1.46 109.157 -178.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.693 HD22 HG21 ' A' ' 21' ' ' ILE . 76.4 mt -63.6 -44.53 93.74 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-N 114.931 -1.031 . . . . 0.58 110.003 -177.493 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.9 t70 71.2 82.5 0.15 Allowed 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 125.192 1.397 . . . . 1.14 108.691 179.385 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.581 ' HB ' HG23 ' A' ' 33' ' ' THR . 86.3 t -81.21 -90.22 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.306 -1.323 0 CA-C-N 114.204 -1.362 . . . . 1.79 110.39 -175.6 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.533 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 24.8 t70 172.57 -174.38 0.05 OUTLIER 'General case' 0 C--N 1.293 -1.868 0 N-CA-C 103.93 -2.618 . . . . 0.79 103.93 -177.727 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.581 ' HA ' ' H38' ' A' ' 101' ' ' SHW . 8.2 t -101.96 -38.88 7.59 Favored 'General case' 0 C--N 1.267 -2.987 0 N-CA-C 108.854 -0.795 . . . . 1.23 108.854 -174.84 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 94.8 mt -85.12 -35.42 21.78 Favored 'General case' 0 C--N 1.31 -1.138 0 N-CA-C 108.938 -0.764 . . . . 1.02 108.938 -179.378 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.584 ' HB3' HG22 ' A' ' 18' ' ' ILE . 19.0 m -66.99 -25.76 66.47 Favored 'General case' 0 N--CA 1.441 -0.885 0 CA-C-N 115.254 -0.885 . . . . 1.02 109.547 -179.569 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.508 ' O ' HG23 ' A' ' 47' ' ' VAL . 31.7 tpp -61.77 -48.55 80.14 Favored 'General case' 0 N--CA 1.438 -1.034 0 CA-C-N 115.579 -0.737 . . . . 0.55 110.546 178.243 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 47.1 t -69.52 -26.79 31.88 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.292 0 CA-C-N 115.012 -0.995 . . . . 0.56 110.671 -175.299 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.598 ' HB2' HG21 ' A' ' 18' ' ' ILE . 38.3 mt-10 -70.99 -38.59 72.72 Favored 'General case' 0 N--CA 1.433 -1.284 0 N-CA-C 109.077 -0.712 . . . . 2.08 109.077 176.475 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 42' ' ' SER . 86.1 t -59.23 -46.01 92.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 N-CA-C 108.934 -0.765 . . . . 0.52 108.934 175.484 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.602 HG22 HG21 ' A' ' 63' ' ' VAL . 70.1 t -53.51 -63.98 0.46 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.707 0 CA-C-N 115.472 -0.786 . . . . 0.38 109.886 176.386 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.458 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 92.3 t -53.19 -40.08 37.04 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.309 0 C-N-CA 123.062 0.545 . . . . 0.58 112.438 179.041 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.22 -30.73 67.89 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 121.934 -0.479 . . . . 0.42 112.016 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.98 -36.71 84.85 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.24 0.543 . . . . 0.38 110.553 179.053 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.584 ' HG2' ' H ' ' A' ' 58' ' ' ILE . 28.8 mt-10 -64.59 -29.87 70.89 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-O 122.002 0.906 . . . . 1.36 110.091 179.37 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -83.43 -35.68 24.81 Favored 'General case' 0 C--N 1.299 -1.607 0 CA-C-N 114.96 -1.018 . . . . 2.09 109.968 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.7 tpm_? -76.96 -31.76 56.8 Favored 'General case' 0 N--CA 1.434 -1.262 0 CA-C-N 114.754 -1.112 . . . . 2.75 110.673 -174.188 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.537 ' CD2' HD13 ' A' ' 76' ' ' ILE . 35.2 m-85 -118.66 -0.63 11.28 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 113.208 0.818 . . . . 0.73 113.208 -175.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 22.8 t70 73.38 -11.46 0.91 Allowed 'General case' 0 N--CA 1.502 2.138 0 C-N-CA 124.25 1.02 . . . . 2.02 112.146 178.64 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.503 ' O ' ' HA ' ' A' ' 51' ' ' GLU . 6.9 p -93.24 119.86 41.69 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.081 0 CA-C-O 121.405 0.621 . . . . 1.61 110.289 -177.711 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.1 mmmp? -70.54 123.54 22.06 Favored 'General case' 0 C--N 1.303 -1.446 0 CA-C-N 115.026 -0.988 . . . . 1.67 110.289 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.584 ' H ' ' HG2' ' A' ' 51' ' ' GLU . 49.3 mt -129.99 95.68 27.8 Favored Pre-proline 0 C--N 1.292 -1.893 0 N-CA-C 106.39 -1.708 . . . . 0.49 106.39 -179.369 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -72.54 151.93 53.52 Favored 'Trans proline' 0 N--CA 1.441 -1.591 0 C-N-CA 121.308 1.339 . . . . 0.62 112.052 -178.009 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.572 ' O ' HG12 ' A' ' 63' ' ' VAL . 11.5 t70 -43.91 -35.56 2.05 Favored 'General case' 0 C--O 1.207 -1.132 0 C-N-CA 124.981 1.313 . . . . 2.0 111.782 173.681 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -60.46 -50.06 75.1 Favored 'General case' 0 C--N 1.312 -1.041 0 N-CA-C 111.945 0.35 . . . . 2.09 111.945 178.383 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -83.42 -23.56 32.28 Favored 'General case' 0 CA--C 1.492 -1.271 0 O-C-N 122.076 -0.39 . . . . 1.58 111.902 -179.107 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.602 HG21 HG22 ' A' ' 47' ' ' VAL . 1.0 OUTLIER -63.84 -22.3 30.69 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.135 0 CA-C-O 121.51 0.671 . . . . 0.69 110.867 -178.13 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.552 ' HG2' ' O ' ' A' ' 60' ' ' ASP . 72.9 mmtt -64.91 -24.22 67.46 Favored 'General case' 0 C--O 1.218 -0.567 0 CA-C-N 115.356 -0.838 . . . . 2.44 110.821 178.341 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -92.89 6.28 48.3 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 115.689 -0.687 . . . . 1.94 110.468 -177.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.7 HD13 ' HA ' ' A' ' 72' ' ' ALA . 60.5 mt -97.91 -56.63 2.44 Favored 'General case' 0 C--O 1.204 -1.327 0 CA-C-N 116.231 -0.44 . . . . 1.67 109.876 179.046 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.519 ' HA ' ' H3 ' ' A' ' 101' ' ' SHW 0.44 0.0 OUTLIER 58.81 -28.38 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 117.681 2.474 . . . . 3.18 117.681 177.091 . . . . . . . . 4 4 . 1 . 005 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 79.2 p -121.96 179.28 4.56 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.437 -0.789 . . . . 0.51 110.521 177.114 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.705 HG21 ' O ' ' A' ' 27' ' ' LYS . 4.1 m -73.85 -42.5 53.75 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.585 0 CA-C-N 114.144 -1.389 . . . . 0.35 109.461 172.068 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.417 ' N ' HG23 ' A' ' 69' ' ' VAL . . . -65.48 -42.4 95.8 Favored Glycine 0 CA--C 1.498 -0.987 0 CA-C-N 115.604 -0.725 . . . . 0.3 112.345 -178.041 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.548 ' HB2' ' O ' ' A' ' 66' ' ' LEU . 28.9 m-20 -78.26 -26.7 47.33 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 110.423 -0.214 . . . . 1.79 110.423 -179.762 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.7 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -62.1 -55.78 25.43 Favored 'General case' 0 CA--C 1.511 -0.542 0 N-CA-C 107.594 -1.261 . . . . 0.29 107.594 172.819 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.547 ' HA ' HG21 ' A' ' 7' ' ' ILE . 85.4 m -49.0 -43.8 40.64 Favored 'General case' 0 C--O 1.194 -1.867 0 C-N-CA 123.836 0.855 . . . . 0.31 111.406 171.095 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.421 ' HB3' ' HA ' ' A' ' 71' ' ' ASP . 23.4 tptm -57.07 -32.19 65.99 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 123.836 0.854 . . . . 2.93 111.281 178.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.468 ' HB2' ' CD2' ' A' ' 66' ' ' LEU . 55.2 t80 -75.82 -55.76 5.32 Favored 'General case' 0 C--O 1.201 -1.493 0 N-CA-C 107.652 -1.24 . . . . 0.53 107.652 178.403 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.537 HD13 ' CD2' ' A' ' 54' ' ' PHE . 61.6 mt -56.61 -52.21 56.44 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.606 0 C-N-CA 125.087 1.355 . . . . 0.27 110.983 -177.748 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 47.1 tp -50.53 -42.23 54.79 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.903 0.881 . . . . 1.15 111.432 178.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -88.99 -28.45 20.2 Favored 'General case' 0 C--N 1.295 -1.764 0 CA-C-N 115.074 -0.966 . . . . 0.67 112.022 -174.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 39.3 m-70 -102.18 5.84 40.43 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 113.657 0.984 . . . . 1.53 113.657 -174.474 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.474 ' HG3' ' HA ' ' A' ' 1' ' ' ALA . 14.1 mm100 -32.03 119.51 0.27 Allowed 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 125.088 1.355 . . . . 0.89 113.433 178.388 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.429 -1.491 0 N-CA-C 108.575 -0.898 . . . . 2.36 108.575 -179.873 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 101' ' ' SHW . . . . . 0.581 ' H38' ' HA ' ' A' ' 40' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.424 ' HA ' ' HG3' ' A' ' 80' ' ' GLN . . . . . . . . 0 C--O 1.233 0.201 0 N-CA-C 108.752 -0.833 . . . . 2.05 108.752 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -137.63 171.96 13.67 Favored 'General case' 0 N--CA 1.43 -1.471 0 N-CA-C 107.762 -1.199 . . . . 1.02 107.762 -175.724 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.556 ' O ' HG13 ' A' ' 7' ' ' ILE . 9.3 m -84.7 123.0 29.89 Favored 'General case' 0 N--CA 1.418 -2.035 0 N-CA-C 107.411 -1.329 . . . . 1.05 107.411 -176.695 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 74.2 mt-30 -50.38 -39.46 46.84 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 113.396 0.888 . . . . 1.25 113.396 -173.333 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -66.51 -29.99 70.21 Favored 'General case' 0 C--N 1.294 -1.814 0 CA-C-N 115.873 -0.603 . . . . 2.3 110.53 -176.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -78.02 -31.61 50.61 Favored 'General case' 0 N--CA 1.44 -0.934 0 N-CA-C 108.46 -0.941 . . . . 1.92 108.46 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.556 HG13 ' O ' ' A' ' 3' ' ' THR . 15.5 mt -73.48 -50.99 27.13 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.202 0 N-CA-C 108.293 -1.003 . . . . 0.29 108.293 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.447 HG21 HD12 ' A' ' 28' ' ' LEU . 67.9 t -57.09 -40.69 74.76 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.172 0 CA-C-N 115.886 -0.597 . . . . 0.32 110.765 176.446 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.2 -37.38 87.25 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.111 0.481 . . . . 0.32 110.09 175.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.17 -39.57 96.24 Favored Glycine 0 C--O 1.204 -1.723 0 N-CA-C 110.304 -1.119 . . . . 0.31 110.304 178.268 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.484 ' O ' HG23 ' A' ' 15' ' ' VAL . 96.0 mt -66.01 -44.39 84.88 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 110.017 -0.364 . . . . 0.29 110.017 175.423 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.38 -42.72 78.35 Favored 'General case' 0 C--O 1.239 0.531 0 C-N-CA 123.766 0.826 . . . . 0.24 112.053 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -65.31 -36.15 83.17 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-O 121.206 0.526 . . . . 1.46 111.771 178.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 97.0 mt -67.21 -49.06 76.09 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 CA-C-N 115.338 -0.846 . . . . 0.41 109.249 177.632 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.639 HG12 ' HB ' ' A' ' 21' ' ' ILE . 94.5 t -57.73 -42.14 81.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.693 -0.685 . . . . 0.29 110.751 178.568 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -65.2 -33.04 75.06 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-O 121.342 0.591 . . . . 0.64 111.924 -179.26 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.33 -56.79 4.31 Favored 'General case' 0 C--N 1.304 -1.408 0 CA-C-N 115.543 -0.753 . . . . 2.0 109.039 -179.694 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.848 HG22 ' HB3' ' A' ' 42' ' ' SER . 79.8 mt -79.62 -52.37 14.99 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.141 0 N-CA-C 113.164 0.801 . . . . 0.28 113.164 -172.052 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.821 ' HB2' HG13 ' A' ' 38' ' ' VAL . . . -80.94 -36.78 30.54 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 121.147 0.498 . . . . 0.34 110.592 -177.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.53 31.66 12.96 Favored Glycine 0 N--CA 1.441 -0.993 0 N-CA-C 110.405 -1.078 . . . . 0.46 110.405 -176.081 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.639 ' HB ' HG12 ' A' ' 15' ' ' VAL . 42.8 mm -110.92 132.0 21.86 Favored Pre-proline 0 C--N 1.313 -1.017 0 N-CA-C 109.815 -0.439 . . . . 0.42 109.815 -178.336 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 21' ' ' ILE . 6.7 Cg_exo -35.48 129.47 0.3 Allowed 'Trans proline' 0 N--CA 1.453 -0.863 0 C-N-CA 125.197 3.931 . . . . 0.41 114.022 174.115 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 74.5 t -60.45 -24.48 31.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 114.917 -1.038 . . . . 0.69 108.531 176.506 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -88.07 -17.75 30.39 Favored 'General case' 0 N--CA 1.421 -1.915 0 CA-C-N 114.477 -1.238 . . . . 2.34 113.122 -178.236 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -83.84 -14.28 51.63 Favored 'General case' 0 N--CA 1.486 1.337 0 CA-C-O 122.569 1.175 . . . . 0.69 108.634 -178.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.712 HG13 HG11 ' A' ' 69' ' ' VAL . 62.3 t -78.5 73.27 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.343 0 CA-C-N 113.424 -1.716 . . . . 0.4 108.939 178.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.597 ' O ' HG21 ' A' ' 69' ' ' VAL . 43.0 mmtm -85.14 159.55 20.12 Favored 'General case' 0 N--CA 1.417 -2.089 0 N-CA-C 106.45 -1.685 . . . . 1.67 106.45 175.623 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.449 ' O ' HD23 ' A' ' 28' ' ' LEU . 8.0 tt -72.64 -11.15 60.52 Favored 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 112.894 0.701 . . . . 1.08 112.894 -170.016 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -97.11 0.19 48.09 Favored 'General case' 0 C--N 1.274 -2.686 0 CA-C-N 115.564 -0.744 . . . . 2.11 109.358 -177.065 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.525 ' O ' HG22 ' A' ' 69' ' ' VAL . 45.1 mmtm -90.27 125.94 35.67 Favored 'General case' 0 C--N 1.303 -1.427 0 CA-C-O 121.744 0.783 . . . . 1.02 112.583 -172.411 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.621 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 3.3 m -92.01 112.74 24.79 Favored 'General case' 0 N--CA 1.402 -2.831 0 N-CA-C 106.606 -1.628 . . . . 1.16 106.606 174.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.621 ' HA ' HD12 ' A' ' 36' ' ' LEU . 86.5 m-85 -28.18 -84.6 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 115.056 1.502 . . . . 0.36 115.056 179.196 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.682 HG23 ' HB ' ' A' ' 38' ' ' VAL . 0.8 OUTLIER -85.37 64.26 8.55 Favored 'General case' 0 C--N 1.307 -1.278 0 N-CA-C 114.164 1.172 . . . . 0.47 114.164 -179.875 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.429 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 17.2 t70 -170.46 -51.22 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 107.565 -1.272 . . . . 0.73 107.565 177.347 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.427 ' HB3' ' HD2' ' A' ' 30' ' ' LYS . 34.5 m-20 -95.26 -55.76 2.95 Favored 'General case' 0 C--N 1.307 -1.276 0 CA-C-N 114.681 -1.145 . . . . 1.46 110.72 179.286 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.621 HD12 ' HA ' ' A' ' 32' ' ' PHE . 96.3 mt -72.86 -44.0 61.89 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 112.102 0.408 . . . . 0.58 112.102 -176.737 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.7 t70 76.24 92.45 0.07 Allowed 'General case' 0 CA--C 1.505 -0.767 0 O-C-N 124.935 1.397 . . . . 1.14 109.92 -174.464 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.821 HG13 ' HB2' ' A' ' 19' ' ' ALA . 93.4 t -96.11 -89.27 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.298 -1.666 0 CA-C-N 114.914 -1.039 . . . . 1.79 109.44 -177.677 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.736 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 14.5 t70 176.29 179.74 0.18 Allowed 'General case' 0 C--N 1.29 -2.009 0 N-CA-C 103.618 -2.734 . . . . 0.79 103.618 -179.062 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.81 ' HA ' ' H37' ' A' ' 101' ' ' SHW . 5.7 t -99.36 -35.09 10.04 Favored 'General case' 0 C--N 1.26 -3.306 0 N-CA-C 108.778 -0.823 . . . . 1.23 108.778 -174.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 91.0 mt -86.88 -38.31 16.87 Favored 'General case' 0 C--N 1.31 -1.14 0 CA-C-O 122.265 1.031 . . . . 1.02 109.216 -178.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.848 ' HB3' HG22 ' A' ' 18' ' ' ILE . 46.5 m -71.14 -14.39 62.27 Favored 'General case' 0 N--CA 1.433 -1.292 0 CA-C-N 113.91 -1.496 . . . . 1.02 111.064 -177.084 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.416 ' HB2' ' HE2' ' A' ' 43' ' ' MET . 21.1 tpp -62.15 -47.36 84.86 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.73 -0.668 . . . . 0.55 110.675 177.788 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.425 ' O ' HG23 ' A' ' 48' ' ' VAL . 46.8 t -71.88 -23.07 21.81 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.4 0 CA-C-N 115.62 -0.718 . . . . 0.56 110.492 -177.287 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.617 ' HB2' HG21 ' A' ' 18' ' ' ILE . 31.5 mm-40 -69.97 -36.45 75.24 Favored 'General case' 0 N--CA 1.439 -1.006 0 N-CA-C 108.753 -0.832 . . . . 2.08 108.753 177.702 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 42' ' ' SER . 99.2 t -62.05 -46.25 96.9 Favored 'Isoleucine or valine' 0 C--N 1.339 0.12 0 N-CA-C 108.591 -0.892 . . . . 0.52 108.591 177.274 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.587 HG22 HG21 ' A' ' 63' ' ' VAL . 48.7 t -53.77 -63.4 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.571 0 CA-C-N 115.365 -0.834 . . . . 0.38 109.287 176.692 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 44' ' ' VAL . 85.4 t -44.9 -54.91 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 C-N-CA 123.954 0.902 . . . . 0.58 112.071 176.031 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.79 -35.52 80.14 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.384 0.512 . . . . 0.42 112.384 -177.489 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.0 -37.57 83.0 Favored 'General case' 0 C--O 1.243 0.73 0 CA-C-O 120.565 0.221 . . . . 0.38 110.752 178.72 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.439 ' HG2' ' H ' ' A' ' 58' ' ' ILE . 39.4 mt-10 -59.47 -43.7 93.17 Favored 'General case' 0 C--O 1.216 -0.671 0 CA-C-N 116.0 -0.545 . . . . 1.36 110.241 178.704 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -75.15 -38.24 61.03 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 116.204 -0.453 . . . . 2.09 111.348 -179.021 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.488 ' NE ' ' HA ' ' A' ' 53' ' ' ARG . 1.6 tpm_? -65.33 -35.42 80.93 Favored 'General case' 0 CA--C 1.502 -0.901 0 CA-C-O 121.149 0.5 . . . . 2.75 111.319 -170.396 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.463 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 39.3 m-85 -111.37 0.42 16.62 Favored 'General case' 0 C--N 1.291 -1.977 0 CA-C-N 115.512 -0.767 . . . . 0.73 111.038 -175.696 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.7 t70 52.94 64.64 1.78 Allowed 'General case' 0 CA--C 1.511 -0.541 0 C-N-CA 125.149 1.38 . . . . 2.02 110.3 -173.369 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.408 HG12 ' HA ' ' A' ' 80' ' ' GLN . 25.7 m -134.13 -166.89 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.284 -2.274 0 CA-C-N 114.402 -1.272 . . . . 1.61 108.185 -178.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 23.8 tptp -143.09 119.65 11.05 Favored 'General case' 0 N--CA 1.415 -2.204 0 N-CA-C 106.824 -1.547 . . . . 1.67 106.824 178.531 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.715 HD11 HG12 ' A' ' 76' ' ' ILE . 21.4 mt -141.76 96.26 6.83 Favored Pre-proline 0 C--N 1.301 -1.506 0 N-CA-C 106.258 -1.756 . . . . 0.49 106.258 -177.116 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.435 ' HD2' ' HB2' ' A' ' 62' ' ' ASP . 72.6 Cg_endo -76.95 157.27 34.63 Favored 'Trans proline' 0 N--CA 1.435 -1.929 0 C-N-CA 121.173 1.248 . . . . 0.62 111.857 -178.072 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.52 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 16.1 t70 -46.53 -26.35 0.86 Allowed 'General case' 0 C--O 1.208 -1.087 0 C-N-CA 125.441 1.496 . . . . 2.0 112.716 175.11 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -82.05 -47.4 12.67 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 112.089 0.403 . . . . 2.09 112.089 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.435 ' HB2' ' HD2' ' A' ' 59' ' ' PRO . 18.3 m-20 -78.94 -20.0 50.33 Favored 'General case' 0 CA--C 1.486 -1.497 0 O-C-N 122.185 -0.322 . . . . 1.58 111.559 -177.428 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.648 HG22 ' H6 ' ' A' ' 101' ' ' SHW . 3.0 p -70.38 -23.08 24.35 Favored 'Isoleucine or valine' 0 C--O 1.189 -2.112 0 CA-C-N 115.567 -0.742 . . . . 0.69 110.248 -179.656 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.52 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 66.0 mttm -62.21 -2.38 0.96 Allowed 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.539 1.136 . . . . 2.44 113.729 -175.498 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -115.26 10.61 15.99 Favored 'General case' 0 C--N 1.287 -2.109 0 CA-C-O 121.692 0.758 . . . . 1.94 109.075 -176.472 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.728 HD13 ' HA ' ' A' ' 72' ' ' ALA . 38.7 mt -123.06 39.73 3.88 Favored 'General case' 0 C--O 1.216 -0.705 0 O-C-N 121.784 -0.572 . . . . 1.67 111.83 -173.446 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.73 -23.0 0.1 Allowed 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 118.2 2.667 . . . . 3.18 118.2 -176.099 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.621 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 68.3 p -110.25 167.69 10.0 Favored 'General case' 0 CA--C 1.503 -0.856 0 CA-C-N 119.239 0.927 . . . . 0.51 111.206 177.002 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.712 HG11 HG13 ' A' ' 26' ' ' VAL . 2.8 m -60.81 -42.84 93.91 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.49 0 CA-C-N 115.243 -0.889 . . . . 0.35 109.318 171.373 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -59.4 -45.79 94.92 Favored Glycine 0 N--CA 1.433 -1.509 0 CA-C-N 115.414 -0.812 . . . . 0.3 112.276 175.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.524 ' HB3' ' HA ' ' A' ' 66' ' ' LEU . 9.8 m-20 -65.85 -38.23 88.3 Favored 'General case' 0 CA--C 1.502 -0.901 0 CA-C-N 117.212 0.506 . . . . 1.79 110.969 -178.611 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.728 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -59.99 -58.68 7.51 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 108.995 -0.743 . . . . 0.29 108.995 175.495 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.51 HG23 ' HB ' ' A' ' 7' ' ' ILE . 93.1 m -48.55 -46.3 38.68 Favored 'General case' 0 C--O 1.205 -1.261 0 C-N-CA 124.51 1.124 . . . . 0.31 111.954 174.632 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.454 ' HD3' ' HA ' ' A' ' 71' ' ' ASP . 82.2 tttt -53.96 -33.02 55.73 Favored 'General case' 0 C--N 1.297 -1.7 0 C-N-CA 126.63 1.972 . . . . 2.93 111.294 177.497 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.426 ' HB2' ' CD2' ' A' ' 66' ' ' LEU . 65.1 t80 -85.41 -47.82 9.6 Favored 'General case' 0 C--O 1.203 -1.366 0 N-CA-C 108.369 -0.975 . . . . 0.53 108.369 178.254 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.715 HG12 HD11 ' A' ' 58' ' ' ILE . 76.9 mt -60.27 -50.3 80.82 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.442 0 C-N-CA 124.701 1.2 . . . . 0.27 111.385 -177.402 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.1 tt -54.05 -35.83 62.42 Favored 'General case' 0 N--CA 1.482 1.143 0 CA-C-O 121.167 0.508 . . . . 1.15 109.99 178.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -83.03 -38.56 22.4 Favored 'General case' 0 C--N 1.298 -1.657 0 CA-C-N 114.821 -1.082 . . . . 0.67 111.577 -178.679 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 39.2 m-70 -91.78 5.7 48.87 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 114.676 1.362 . . . . 1.53 114.676 -175.473 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.424 ' HG3' ' HA ' ' A' ' 1' ' ' ALA . 13.1 mm100 -44.19 145.07 0.83 Allowed 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.667 0.787 . . . . 0.89 111.148 173.736 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -0.897 0 N-CA-C 109.291 -0.633 . . . . 2.36 109.291 178.198 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 101' ' ' SHW . . . . . 0.81 ' H37' ' HA ' ' A' ' 40' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.461 ' HA ' ' HG3' ' A' ' 80' ' ' GLN . . . . . . . . 0 CA--C 1.514 -0.407 0 N-CA-C 109.436 -0.579 . . . . 2.05 109.436 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -127.86 174.17 9.37 Favored 'General case' 0 CA--C 1.489 -1.384 0 N-CA-C 106.259 -1.756 . . . . 1.02 106.259 -178.691 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.535 ' O ' HG13 ' A' ' 7' ' ' ILE . 1.9 m -74.6 126.31 30.53 Favored 'General case' 0 C--N 1.28 -2.453 0 N-CA-C 107.457 -1.312 . . . . 1.05 107.457 178.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -53.94 -37.08 63.5 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 112.341 0.497 . . . . 1.25 112.341 -174.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -68.58 -29.04 67.49 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-N 115.782 -0.645 . . . . 2.3 110.161 -177.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -72.15 -34.08 68.24 Favored 'General case' 0 C--N 1.314 -0.968 0 N-CA-C 108.141 -1.059 . . . . 1.92 108.141 -179.351 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.714 ' HB ' HG23 ' A' ' 73' ' ' THR . 15.4 mt -72.66 -52.58 22.44 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.597 0 CA-C-N 114.425 -1.261 . . . . 0.29 107.801 179.565 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.3 t -52.72 -43.23 43.97 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.822 0 CA-C-N 115.606 -0.724 . . . . 0.32 110.733 176.017 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.44 -39.38 93.71 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 122.618 0.367 . . . . 0.32 111.135 177.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.26 -42.29 97.91 Favored Glycine 0 N--CA 1.438 -1.188 0 N-CA-C 110.096 -1.202 . . . . 0.31 110.096 178.03 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.504 ' HA ' HD12 ' A' ' 14' ' ' ILE . 89.4 mt -65.37 -43.65 90.11 Favored 'General case' 0 C--N 1.309 -1.156 0 N-CA-C 110.179 -0.304 . . . . 0.29 110.179 176.279 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.432 ' HA ' HG11 ' A' ' 26' ' ' VAL . . . -55.11 -43.09 73.74 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 123.886 0.875 . . . . 0.24 111.809 -179.339 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -69.1 -35.57 76.59 Favored 'General case' 0 C--O 1.24 0.598 0 C-N-CA 119.771 -0.772 . . . . 1.46 112.884 178.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.504 HD12 ' HA ' ' A' ' 11' ' ' LEU . 93.6 mt -62.45 -51.61 70.14 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.133 0 N-CA-C 108.479 -0.934 . . . . 0.41 108.479 175.713 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.654 HG12 ' HB ' ' A' ' 21' ' ' ILE . 94.2 t -61.1 -42.62 93.93 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.065 0 CA-C-N 114.912 -1.04 . . . . 0.29 110.816 179.722 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.406 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 4.4 t-20 -60.36 -33.65 72.74 Favored 'General case' 0 C--N 1.309 -1.161 0 CA-C-O 121.386 0.613 . . . . 0.64 110.411 179.405 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -79.33 -64.33 1.21 Allowed 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 115.269 -0.878 . . . . 2.0 111.542 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.511 HG21 ' HB2' ' A' ' 45' ' ' GLU . 81.3 mt -74.17 -52.25 20.91 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.204 0 CA-C-N 115.864 -0.607 . . . . 0.28 111.559 -173.323 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.564 ' HA ' HG21 ' A' ' 38' ' ' VAL . . . -78.21 -37.74 44.79 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-N 115.909 -0.587 . . . . 0.34 111.411 -176.184 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.26 32.61 22.44 Favored Glycine 0 C--O 1.242 0.622 0 N-CA-C 110.546 -1.021 . . . . 0.46 110.546 -177.234 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.654 ' HB ' HG12 ' A' ' 15' ' ' VAL . 49.3 mm -112.31 131.2 22.69 Favored Pre-proline 0 C--N 1.31 -1.116 0 N-CA-C 108.628 -0.878 . . . . 0.42 108.628 -179.412 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.458 ' HD2' ' HA ' ' A' ' 21' ' ' ILE . 2.7 Cg_exo -35.13 128.3 0.25 Allowed 'Trans proline' 0 C--O 1.237 0.467 1 C-N-CA 125.83 4.353 . . . . 0.41 115.282 175.807 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.425 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 92.6 t -56.6 -32.89 38.42 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.458 0 C-N-CA 124.575 1.15 . . . . 0.69 108.505 176.09 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.256 0.8 OUTLIER -85.55 -24.07 27.4 Favored 'General case' 0 N--CA 1.421 -1.906 0 CA-C-N 115.099 -0.955 . . . . 2.34 113.543 -177.385 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.55 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 28.3 t0 -81.57 -16.53 51.33 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-O 121.967 0.889 . . . . 0.69 109.094 178.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.687 HG13 HG11 ' A' ' 69' ' ' VAL . 54.7 t -76.86 78.55 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.323 0 CA-C-O 122.798 1.285 . . . . 0.4 107.792 172.707 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 58.0 mttp -85.21 -137.79 0.07 Allowed 'General case' 0 C--N 1.298 -1.663 0 CA-C-N 112.443 -2.162 . . . . 1.67 108.499 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.45 ' HA ' HG23 ' A' ' 69' ' ' VAL . 7.0 tt -121.85 -19.76 6.62 Favored 'General case' 0 C--N 1.309 -1.179 0 C-N-CA 119.738 -0.785 . . . . 1.08 110.858 -179.577 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -91.29 -1.07 57.74 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-O 123.001 1.381 . . . . 2.11 109.852 -178.129 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.638 ' O ' HG22 ' A' ' 69' ' ' VAL . 72.2 mmtt -85.31 110.0 18.77 Favored 'General case' 0 C--N 1.292 -1.916 0 N-CA-C 114.504 1.298 . . . . 1.02 114.504 -172.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.574 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 2.7 m -75.44 110.27 9.66 Favored 'General case' 0 N--CA 1.411 -2.385 0 N-CA-C 107.462 -1.31 . . . . 1.16 107.462 171.221 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.681 ' HA ' HD12 ' A' ' 36' ' ' LEU . 92.4 m-85 -36.52 -80.78 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.39 0 N-CA-C 114.104 1.15 . . . . 0.36 114.104 178.252 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.72 40.31 0.67 Allowed 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 114.857 1.429 . . . . 0.47 114.857 -179.614 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -155.24 -46.4 0.08 Allowed 'General case' 0 C--N 1.317 -0.813 0 C-N-CA 120.119 -0.632 . . . . 0.73 112.221 179.52 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -96.04 -50.51 4.82 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.078 -1.082 . . . . 1.46 108.078 178.125 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.681 HD12 ' HA ' ' A' ' 32' ' ' PHE . 96.8 mt -68.89 -49.09 61.19 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 109.056 -0.72 . . . . 0.58 109.056 177.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.0 t70 70.27 81.99 0.16 Allowed 'General case' 0 CA--C 1.508 -0.669 0 C-N-CA 124.685 1.194 . . . . 1.14 112.826 174.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.624 HG13 ' H ' ' A' ' 39' ' ' ASP . 1.4 p -93.03 -87.29 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.297 -1.674 0 CA-C-N 115.481 -0.781 . . . . 1.79 109.625 173.192 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.624 ' H ' HG13 ' A' ' 38' ' ' VAL . 11.8 t70 -173.63 173.5 3.37 Favored 'General case' 0 N--CA 1.425 -1.718 0 N-CA-C 105.123 -2.177 . . . . 0.79 105.123 177.666 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 38.5 t -85.67 -26.12 26.15 Favored 'General case' 0 C--N 1.257 -3.428 0 C-N-CA 124.113 0.965 . . . . 1.23 110.59 -171.233 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 56.4 mt -80.97 -43.02 20.3 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-O 120.964 0.411 . . . . 1.02 111.829 -175.122 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -66.82 -22.03 66.02 Favored 'General case' 0 C--N 1.311 -1.104 0 C-N-CA 123.925 0.89 . . . . 1.02 110.414 -175.467 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.426 ' SD ' ' H2 ' ' A' ' 101' ' ' SHW . 25.0 tpp -56.47 -41.05 75.9 Favored 'General case' 0 N--CA 1.441 -0.891 0 CA-C-N 114.684 -1.144 . . . . 0.55 113.067 -177.724 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 48.9 t -68.83 -29.21 42.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 C-N-CA 120.842 -0.343 . . . . 0.56 110.698 -177.174 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.511 ' HB2' HG21 ' A' ' 18' ' ' ILE . 19.0 mm-40 -72.99 -34.25 66.31 Favored 'General case' 0 N--CA 1.426 -1.628 0 N-CA-C 109.316 -0.624 . . . . 2.08 109.316 179.536 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 66.4 t -61.85 -47.03 95.14 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.239 0 N-CA-C 108.484 -0.932 . . . . 0.52 108.484 176.171 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.659 HG13 HG21 ' A' ' 63' ' ' VAL . 90.3 t -55.34 -64.4 0.47 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 O-C-N 123.914 0.759 . . . . 0.38 109.691 176.609 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.496 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 89.6 t -51.23 -42.62 26.71 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.229 0 C-N-CA 123.523 0.729 . . . . 0.58 112.945 178.647 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.33 -38.91 82.0 Favored 'General case' 0 C--N 1.318 -0.765 0 O-C-N 121.801 -0.562 . . . . 0.42 111.367 178.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.6 -36.18 79.97 Favored 'General case' 0 C--O 1.247 0.949 0 CA-C-O 120.785 0.326 . . . . 0.38 110.21 178.515 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.662 ' HG2' ' H ' ' A' ' 58' ' ' ILE . 54.3 mt-10 -53.56 -55.76 22.83 Favored 'General case' 0 N--CA 1.441 -0.877 0 CA-C-N 115.24 -0.891 . . . . 1.36 109.939 176.759 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -71.36 -35.41 71.12 Favored 'General case' 0 C--N 1.321 -0.668 0 O-C-N 123.835 0.709 . . . . 2.09 111.921 -178.189 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.2 tpp85 -64.83 -34.15 77.69 Favored 'General case' 0 CA--C 1.503 -0.839 0 CA-C-O 121.544 0.688 . . . . 2.75 110.812 -169.125 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.458 ' CD2' HD13 ' A' ' 76' ' ' ILE . 50.9 m-85 -115.9 -2.16 12.4 Favored 'General case' 0 C--N 1.296 -1.761 0 CA-C-N 115.036 -0.984 . . . . 0.73 110.001 -179.264 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.7 t0 56.88 23.35 8.05 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 125.323 1.449 . . . . 2.02 110.382 -176.34 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.467 HG13 HG13 ' A' ' 58' ' ' ILE . 6.6 p -81.63 -27.9 10.05 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.076 0 CA-C-N 114.42 -1.263 . . . . 1.61 111.331 -173.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 24.4 tptp 56.53 86.99 0.06 Allowed 'General case' 0 C--O 1.249 1.066 0 C-N-CA 124.782 1.233 . . . . 1.67 111.791 -177.552 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.662 ' H ' ' HG2' ' A' ' 51' ' ' GLU . 25.2 mt -105.25 103.7 43.63 Favored Pre-proline 0 C--N 1.314 -0.94 0 N-CA-C 107.824 -1.176 . . . . 0.49 107.824 178.415 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -68.34 149.19 75.16 Favored 'Trans proline' 0 C--O 1.262 1.703 0 C-N-CA 121.033 1.155 . . . . 0.62 110.23 178.321 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.435 ' HA ' ' HB ' ' A' ' 63' ' ' VAL . 4.7 p-10 -49.37 -27.04 3.62 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.05 0.54 . . . . 2.0 111.633 176.494 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -56.4 -53.39 57.95 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.364 1.066 . . . . 2.09 112.256 175.39 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -74.87 -26.22 59.52 Favored 'General case' 0 N--CA 1.492 1.658 0 CA-C-O 121.77 0.795 . . . . 1.58 110.479 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.848 HG13 ' H5 ' ' A' ' 101' ' ' SHW . 3.2 t -60.44 -23.03 26.97 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.623 0 CA-C-N 114.622 -1.172 . . . . 0.69 111.632 175.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -69.86 -8.67 50.43 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-O 120.904 0.383 . . . . 2.44 111.399 178.424 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -108.66 -14.94 14.52 Favored 'General case' 0 C--N 1.315 -0.931 0 N-CA-C 108.181 -1.044 . . . . 1.94 108.181 -178.275 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.77 ' HA ' ' OD2' ' A' ' 71' ' ' ASP . 52.0 mt -91.74 140.77 29.37 Favored 'General case' 0 N--CA 1.428 -1.543 0 N-CA-C 106.608 -1.626 . . . . 1.67 106.608 178.384 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.98 -21.87 0.95 Allowed 'General case' 0 C--N 1.267 -3.012 0 N-CA-C 113.152 0.797 . . . . 3.18 113.152 178.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.574 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 19.1 p -117.99 165.94 13.11 Favored 'General case' 0 N--CA 1.431 -1.399 0 C-N-CA 119.995 -0.682 . . . . 0.51 111.263 178.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.687 HG11 HG13 ' A' ' 26' ' ' VAL . 2.1 m -58.46 -44.34 88.7 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.238 0 CA-C-N 114.9 -1.046 . . . . 0.35 110.473 173.501 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -70.54 -31.96 67.9 Favored Glycine 0 N--CA 1.43 -1.764 0 CA-C-N 115.879 -0.6 . . . . 0.3 112.252 179.691 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.77 ' OD2' ' HA ' ' A' ' 66' ' ' LEU . 34.9 t0 -69.44 -43.92 72.35 Favored 'General case' 0 CA--C 1.512 -0.506 0 N-CA-C 108.902 -0.777 . . . . 1.79 108.902 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.534 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -57.43 -56.06 26.73 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 115.428 -0.805 . . . . 0.29 108.859 175.795 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.714 HG23 ' HB ' ' A' ' 7' ' ' ILE . 54.8 m -47.64 -47.34 29.25 Favored 'General case' 0 C--O 1.195 -1.788 0 C-N-CA 124.235 1.014 . . . . 0.31 112.367 173.549 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.403 ' HD2' HD23 ' A' ' 77' ' ' LEU . 20.2 tptm -60.79 -36.78 79.86 Favored 'General case' 0 C--N 1.318 -0.768 0 C-N-CA 122.767 0.427 . . . . 2.93 110.988 -178.247 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.469 ' HB2' HD21 ' A' ' 66' ' ' LEU . 67.1 t80 -70.04 -41.62 73.99 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.114 -0.699 . . . . 0.53 109.114 178.275 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.658 HG12 HD11 ' A' ' 58' ' ' ILE . 66.2 mt -67.44 -44.44 86.85 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.643 0 CA-C-N 115.42 -0.809 . . . . 0.27 109.364 179.754 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.403 HD23 ' HD2' ' A' ' 74' ' ' LYS . 42.8 tp -50.05 -40.11 44.12 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 124.828 1.251 . . . . 1.15 110.02 176.125 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -83.51 -37.67 22.78 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-N 114.693 -1.14 . . . . 0.67 111.689 -177.451 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -94.65 5.5 51.67 Favored 'General case' 0 C--N 1.308 -1.2 0 N-CA-C 115.061 1.504 . . . . 1.53 115.061 -174.652 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.461 ' HG3' ' HA ' ' A' ' 1' ' ' ALA . 13.0 mm100 -37.79 134.09 0.76 Allowed 'General case' 0 N--CA 1.493 1.676 0 C-N-CA 124.775 1.23 . . . . 0.89 113.631 179.36 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.434 -1.242 0 N-CA-C 108.509 -0.923 . . . . 2.36 108.509 177.723 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 101' ' ' SHW . . . . . 0.848 ' H5 ' HG13 ' A' ' 63' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.611 ' HA ' ' NE2' ' A' ' 80' ' ' GLN . . . . . . . . 0 CA--C 1.513 -0.476 0 N-CA-C 108.918 -0.771 . . . . 2.05 108.918 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -153.18 159.49 42.69 Favored 'General case' 0 CA--C 1.479 -1.775 0 N-CA-C 108.662 -0.866 . . . . 1.02 108.662 -178.772 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.5 m -73.27 135.37 44.44 Favored 'General case' 0 N--CA 1.414 -2.24 0 N-CA-C 106.521 -1.659 . . . . 1.05 106.521 177.669 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.619 ' HA ' HD12 ' A' ' 7' ' ' ILE . 24.6 mt-30 -52.07 -25.9 9.76 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 113.402 0.89 . . . . 1.25 113.402 -177.302 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -64.62 -38.75 92.07 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 116.028 -0.533 . . . . 2.3 109.695 177.392 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -81.81 -25.16 35.44 Favored 'General case' 0 N--CA 1.429 -1.505 0 CA-C-N 115.886 -0.597 . . . . 1.92 110.053 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.619 HD12 ' HA ' ' A' ' 4' ' ' GLN . 49.8 mt -66.42 -59.58 3.74 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.902 0 N-CA-C 108.021 -1.103 . . . . 0.29 108.021 176.332 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.558 HG21 HD12 ' A' ' 28' ' ' LEU . 98.0 t -55.65 -37.33 45.85 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.852 0 CA-C-N 116.268 -0.424 . . . . 0.32 110.615 175.662 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.07 -42.81 96.87 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 120.883 0.373 . . . . 0.32 110.361 177.22 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.43 ' HA2' ' HG2' ' A' ' 13' ' ' GLU . . . -62.69 -43.84 98.38 Favored Glycine 0 C--O 1.211 -1.294 0 N-CA-C 110.64 -0.984 . . . . 0.31 110.64 177.013 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.464 ' O ' HG23 ' A' ' 15' ' ' VAL . 85.4 mt -58.36 -47.28 84.31 Favored 'General case' 0 N--CA 1.435 -1.214 0 N-CA-C 110.076 -0.342 . . . . 0.29 110.076 176.028 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.93 -44.56 86.99 Favored 'General case' 0 C--N 1.319 -0.737 0 C-N-CA 123.851 0.86 . . . . 0.24 112.055 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.43 ' HG2' ' HA2' ' A' ' 10' ' ' GLY . 13.1 pt-20 -67.12 -38.13 85.08 Favored 'General case' 0 C--O 1.243 0.752 0 C-N-CA 120.748 -0.381 . . . . 1.46 111.555 -179.29 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 90.9 mt -64.41 -47.17 90.59 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.15 0 CA-C-N 115.572 -0.74 . . . . 0.41 109.503 176.628 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 11' ' ' LEU . 77.3 t -57.12 -44.42 83.19 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.626 0 CA-C-N 116.051 -0.522 . . . . 0.29 110.646 176.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -63.82 -33.77 76.42 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 122.178 -0.326 . . . . 0.64 111.711 -179.467 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -79.89 -41.66 25.74 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 116.258 -0.428 . . . . 2.0 112.036 -179.501 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.806 HG22 ' HB3' ' A' ' 42' ' ' SER . 79.2 mt -92.26 -53.32 8.83 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.938 0 O-C-N 122.116 -0.365 . . . . 0.28 111.979 -177.129 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.781 ' HB2' HG13 ' A' ' 38' ' ' VAL . . . -75.57 -39.08 58.65 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.079 0.466 . . . . 0.34 110.181 -178.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 92.58 16.46 49.06 Favored Glycine 0 C--O 1.239 0.44 0 CA-C-N 115.385 -0.825 . . . . 0.46 111.187 -178.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.465 ' HA ' ' HD2' ' A' ' 22' ' ' PRO . 49.3 mm -99.68 135.46 20.55 Favored Pre-proline 0 C--N 1.312 -1.055 0 CA-C-N 115.212 -0.494 . . . . 0.42 109.907 -176.284 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.465 ' HD2' ' HA ' ' A' ' 21' ' ' ILE . 3.9 Cg_exo -34.8 128.12 0.22 Allowed 'Trans proline' 0 C--N 1.354 0.848 1 C-N-CA 125.444 4.096 . . . . 0.41 115.136 175.377 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 87.8 t -60.58 -32.91 52.72 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.497 0 CA-C-N 114.151 -1.386 . . . . 0.69 107.347 177.47 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.492 ' O ' ' HE2' ' A' ' 27' ' ' LYS . 43.8 mt-10 -92.67 5.25 51.71 Favored 'General case' 0 N--CA 1.411 -2.375 0 CA-C-N 113.49 -1.686 . . . . 2.34 112.863 -173.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.418 ' O ' ' HE3' ' A' ' 30' ' ' LYS . 33.2 t70 -102.04 -12.75 17.91 Favored 'General case' 0 C--N 1.311 -1.07 0 N-CA-C 107.379 -1.341 . . . . 0.69 107.379 171.699 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.462 HG22 HD13 ' A' ' 36' ' ' LEU . 89.3 t -80.09 72.13 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.904 0 CA-C-O 122.839 1.304 . . . . 0.4 108.985 178.812 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.719 ' O ' HG21 ' A' ' 69' ' ' VAL . 76.0 mmtt -84.3 168.29 15.79 Favored 'General case' 0 N--CA 1.417 -2.099 0 CA-C-N 113.468 -1.696 . . . . 1.67 107.27 176.699 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.558 HD12 HG21 ' A' ' 8' ' ' VAL . 7.5 tt -80.89 -4.4 54.72 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 113.129 0.788 . . . . 1.08 113.129 -169.725 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.0 p-10 -110.69 18.03 20.06 Favored 'General case' 0 C--N 1.275 -2.668 0 CA-C-O 121.813 0.815 . . . . 2.11 108.823 -179.371 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.582 ' O ' HG22 ' A' ' 69' ' ' VAL . 72.6 mmtt -97.7 141.98 30.05 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.284 -0.871 . . . . 1.02 112.263 -178.473 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.1 t -102.15 118.17 36.33 Favored 'General case' 0 C--N 1.294 -1.812 0 N-CA-C 107.347 -1.353 . . . . 1.16 107.347 170.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.754 ' HA ' HD12 ' A' ' 36' ' ' LEU . 93.0 m-85 -34.22 -82.63 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 114.137 1.162 . . . . 0.36 114.137 175.335 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.595 HG23 ' HB ' ' A' ' 38' ' ' VAL . 0.4 OUTLIER -80.0 49.41 1.08 Allowed 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 115.407 1.632 . . . . 0.47 115.407 -178.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -161.12 -64.59 0.06 Allowed 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 116.01 -0.541 . . . . 0.73 109.685 177.395 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -77.8 -46.3 21.98 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 115.642 -0.708 . . . . 1.46 110.631 -179.292 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.754 HD12 ' HA ' ' A' ' 32' ' ' PHE . 84.1 mt -80.85 -47.13 14.23 Favored 'General case' 0 C--N 1.31 -1.144 0 CA-C-N 115.576 -0.738 . . . . 0.58 109.91 -179.352 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.7 t70 78.34 90.09 0.06 Allowed 'General case' 0 CA--C 1.506 -0.741 0 C-N-CA 126.435 1.894 . . . . 1.14 110.057 -177.685 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.781 HG13 ' HB2' ' A' ' 19' ' ' ALA . 94.2 t -92.19 -92.08 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.297 -1.696 0 CA-C-N 114.489 -1.232 . . . . 1.79 109.012 -177.525 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.498 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 10.9 t70 171.27 175.27 0.07 Allowed 'General case' 0 C--N 1.294 -1.815 0 N-CA-C 103.371 -2.826 . . . . 0.79 103.371 -178.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.557 ' HA ' ' H37' ' A' ' 101' ' ' SHW . 8.8 t -95.4 -32.0 13.13 Favored 'General case' 0 C--N 1.268 -2.967 0 N-CA-C 108.388 -0.967 . . . . 1.23 108.388 -176.03 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 83.9 mt -83.9 -36.92 23.0 Favored 'General case' 0 C--N 1.306 -1.307 0 N-CA-C 108.734 -0.839 . . . . 1.02 108.734 -178.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.806 ' HB3' HG22 ' A' ' 18' ' ' ILE . 19.3 m -70.86 -28.19 64.39 Favored 'General case' 0 N--CA 1.43 -1.46 0 CA-C-N 114.433 -1.258 . . . . 1.02 110.199 -178.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.488 ' O ' HG23 ' A' ' 47' ' ' VAL . 26.6 tpp -56.5 -48.71 76.6 Favored 'General case' 0 CA--C 1.511 -0.535 0 O-C-N 123.473 0.483 . . . . 0.55 110.589 178.458 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 44.2 t -61.87 -33.18 56.7 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.726 0 CA-C-N 115.077 -0.965 . . . . 0.56 110.202 -178.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -74.13 -35.09 64.07 Favored 'General case' 0 N--CA 1.425 -1.723 0 N-CA-C 109.317 -0.623 . . . . 2.08 109.317 -178.377 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 42' ' ' SER . 77.3 t -63.69 -46.24 95.19 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 N-CA-C 108.598 -0.89 . . . . 0.52 108.598 176.143 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.662 HG22 HG21 ' A' ' 63' ' ' VAL . 88.7 t -53.75 -61.83 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 115.833 -0.621 . . . . 0.38 109.424 176.338 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 76.1 t -49.42 -44.55 18.4 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.303 0 C-N-CA 123.128 0.571 . . . . 0.58 112.134 175.37 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.87 -29.26 69.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 122.071 -0.393 . . . . 0.42 112.008 -178.667 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.54 -37.45 86.75 Favored 'General case' 0 C--O 1.24 0.556 0 N-CA-C 109.698 -0.482 . . . . 0.38 109.698 177.236 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.622 ' HG2' ' H ' ' A' ' 58' ' ' ILE . 36.5 mt-10 -64.29 -40.31 95.7 Favored 'General case' 0 CA--C 1.506 -0.735 0 CA-C-O 121.865 0.841 . . . . 1.36 109.475 177.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -76.5 -27.65 56.13 Favored 'General case' 0 C--N 1.298 -1.658 0 CA-C-N 114.784 -1.098 . . . . 2.09 111.258 -176.285 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.9 tpm_? -88.04 -47.07 8.8 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-O 120.826 0.346 . . . . 2.75 110.846 -177.017 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.566 ' HB2' HG12 ' A' ' 56' ' ' VAL . 20.1 m-85 -97.0 -9.54 28.0 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 112.409 0.522 . . . . 0.73 112.409 -173.179 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.3 t70 73.2 8.46 5.29 Favored 'General case' 0 N--CA 1.491 1.613 0 C-N-CA 125.137 1.375 . . . . 2.02 111.807 178.32 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.566 HG12 ' HB2' ' A' ' 54' ' ' PHE . 7.4 p -98.66 131.25 46.19 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.397 0 CA-C-N 115.444 -0.798 . . . . 1.61 109.839 179.259 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -77.25 113.22 14.78 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-N 116.049 -0.523 . . . . 1.67 111.032 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.69 HD11 HG12 ' A' ' 76' ' ' ILE . 30.4 mt -129.86 100.34 19.33 Favored Pre-proline 0 C--N 1.305 -1.351 0 N-CA-C 107.057 -1.46 . . . . 0.49 107.057 179.188 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -88.14 161.37 7.15 Favored 'Trans proline' 0 N--CA 1.435 -1.955 0 C-N-CA 121.371 1.381 . . . . 0.62 111.557 178.054 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.613 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 3.9 t70 -48.49 -33.18 9.0 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.498 0.719 . . . . 2.0 111.75 173.082 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -54.06 -50.15 67.41 Favored 'General case' 0 C--N 1.317 -0.845 0 C-N-CA 123.232 0.613 . . . . 2.09 110.952 177.545 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -85.37 -30.83 23.33 Favored 'General case' 0 CA--C 1.483 -1.628 0 CA-C-N 115.681 -0.69 . . . . 1.58 111.508 -176.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.662 HG21 HG22 ' A' ' 47' ' ' VAL . 0.4 OUTLIER -59.19 -22.91 23.3 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.162 0 O-C-N 123.795 0.684 . . . . 0.69 111.641 -175.616 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.718 ' HA ' ' S1 ' ' A' ' 101' ' ' SHW . 60.8 mttm -67.75 -8.46 35.72 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.612 -0.722 . . . . 2.44 112.74 -179.125 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 -102.44 1.73 35.63 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 122.971 0.508 . . . . 1.94 110.577 -178.069 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.763 HD13 ' HA ' ' A' ' 72' ' ' ALA . 71.4 mt -97.99 -65.69 0.95 Allowed 'General case' 0 C--N 1.311 -1.066 0 C-N-CA 120.296 -0.562 . . . . 1.67 112.262 -173.601 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.81 ' H ' ' H3 ' ' A' ' 101' ' ' SHW 0.465 0.0 OUTLIER 61.42 -22.14 0.04 OUTLIER 'General case' 0 N--CA 1.505 2.304 0 N-CA-C 117.95 2.574 . . . . 3.18 117.95 179.409 . . . . . . . . 4 4 . 1 . 008 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -128.33 157.18 41.7 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 121.793 -0.567 . . . . 0.51 111.529 175.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.719 HG21 ' O ' ' A' ' 27' ' ' LYS . 6.9 m -57.4 -51.45 69.5 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 C-N-CA 123.658 0.783 . . . . 0.35 112.585 -178.227 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.461 ' H ' HG23 ' A' ' 69' ' ' VAL . . . -61.6 -33.99 86.94 Favored Glycine 0 C--O 1.211 -1.294 0 N-CA-C 112.312 -0.315 . . . . 0.3 112.312 179.235 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -73.71 -37.31 65.2 Favored 'General case' 0 C--N 1.312 -1.057 0 C-N-CA 122.024 0.13 . . . . 1.79 110.733 179.52 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.763 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -58.96 -55.92 28.92 Favored 'General case' 0 CA--C 1.517 -0.318 0 N-CA-C 107.945 -1.131 . . . . 0.29 107.945 173.334 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.419 HG23 ' HB ' ' A' ' 7' ' ' ILE . 87.3 m -48.62 -42.14 33.16 Favored 'General case' 0 C--O 1.208 -1.123 0 C-N-CA 125.162 1.385 . . . . 0.31 112.129 173.065 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 45.8 tptt -60.69 -38.02 83.57 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 122.924 0.49 . . . . 2.93 110.519 -179.072 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -72.56 -44.79 61.62 Favored 'General case' 0 C--O 1.214 -0.795 0 N-CA-C 108.003 -1.11 . . . . 0.53 108.003 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.69 HG12 HD11 ' A' ' 58' ' ' ILE . 80.2 mt -59.55 -50.93 78.1 Favored 'Isoleucine or valine' 0 C--O 1.194 -1.826 0 C-N-CA 124.678 1.191 . . . . 0.27 110.051 178.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.482 ' HA ' ' HG2' ' A' ' 80' ' ' GLN . 3.3 tm? -59.49 -34.35 72.47 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.083 0.468 . . . . 1.15 110.796 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -79.6 -39.47 31.58 Favored 'General case' 0 C--N 1.289 -2.059 0 CA-C-O 121.738 0.78 . . . . 0.67 110.934 -179.181 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -90.82 5.22 49.3 Favored 'General case' 0 C--N 1.296 -1.733 0 CA-C-N 114.778 -1.101 . . . . 1.53 113.017 -176.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.611 ' NE2' ' HA ' ' A' ' 1' ' ' ALA . 8.3 mm100 -36.97 127.67 0.9 Allowed 'General case' 0 C--O 1.244 0.785 0 N-CA-C 115.661 1.726 . . . . 0.89 115.661 178.716 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.414 -2.228 0 N-CA-C 106.902 -1.518 . . . . 2.36 106.902 173.036 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 101' ' ' SHW . . . . . 0.81 ' H3 ' ' H ' ' A' ' 67' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.511 -0.555 0 N-CA-C 108.981 -0.748 . . . . 2.05 108.981 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -110.19 144.19 39.2 Favored 'General case' 0 CA--C 1.479 -1.776 0 N-CA-C 106.422 -1.696 . . . . 1.02 106.422 179.654 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.604 ' O ' HG13 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -62.82 123.07 17.52 Favored 'General case' 0 C--N 1.287 -2.115 0 O-C-N 124.006 0.816 . . . . 1.05 108.879 -177.043 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -52.45 -34.0 46.82 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.391 0.677 . . . . 1.25 112.185 -175.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -71.42 -32.11 68.01 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.641 -0.709 . . . . 2.3 109.63 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -78.8 -30.42 45.46 Favored 'General case' 0 C--N 1.306 -1.304 0 CA-C-N 114.903 -1.044 . . . . 1.92 108.987 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.604 HG13 ' O ' ' A' ' 3' ' ' THR . 38.7 mt -67.66 -55.76 15.79 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.295 0 N-CA-C 108.167 -1.049 . . . . 0.29 108.167 176.096 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.441 HG21 HD12 ' A' ' 28' ' ' LEU . 71.9 t -57.31 -35.02 47.48 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.142 0 CA-C-N 116.362 -0.381 . . . . 0.32 111.197 176.699 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.12 -39.05 75.7 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-O 121.012 0.434 . . . . 0.32 110.046 177.45 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.81 -44.47 94.69 Favored Glycine 0 CA--C 1.49 -1.469 0 N-CA-C 110.12 -1.192 . . . . 0.31 110.12 178.192 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.524 ' O ' HG23 ' A' ' 15' ' ' VAL . 92.1 mt -58.98 -43.41 91.38 Favored 'General case' 0 C--N 1.308 -1.23 0 N-CA-C 110.35 -0.241 . . . . 0.29 110.35 175.584 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.6 ' HA ' HG11 ' A' ' 26' ' ' VAL . . . -58.64 -43.31 89.72 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 123.059 0.544 . . . . 0.24 112.212 179.433 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -68.2 -37.23 80.69 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.3 -0.56 . . . . 1.46 111.562 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.407 HD12 ' HA ' ' A' ' 11' ' ' LEU . 89.6 mt -61.25 -46.36 96.78 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 CA-C-N 115.493 -0.776 . . . . 0.41 109.16 174.416 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 11' ' ' LEU . 77.9 t -60.66 -45.58 97.23 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.174 0 CA-C-N 115.713 -0.676 . . . . 0.29 111.05 178.647 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -65.07 -32.74 74.6 Favored 'General case' 0 C--N 1.303 -1.42 0 CA-C-O 121.349 0.595 . . . . 0.64 111.079 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -70.58 -54.32 12.52 Favored 'General case' 0 C--N 1.304 -1.384 0 C-N-CA 123.761 0.825 . . . . 2.0 111.562 177.042 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.682 HG21 ' HB2' ' A' ' 45' ' ' GLU . 66.2 mt -91.23 -52.87 9.66 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.914 0 N-CA-C 112.736 0.643 . . . . 0.28 112.736 -173.199 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.447 ' CB ' HG13 ' A' ' 38' ' ' VAL . . . -73.38 -43.12 61.25 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.442 0.639 . . . . 0.34 109.564 -179.264 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 90.73 37.59 6.41 Favored Glycine 0 N--CA 1.443 -0.873 0 CA-C-N 115.134 -0.939 . . . . 0.46 110.845 -178.606 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.448 ' HA ' ' HD2' ' A' ' 22' ' ' PRO . 47.6 mm -116.82 137.68 23.96 Favored Pre-proline 0 C--N 1.318 -0.779 0 N-CA-C 109.001 -0.74 . . . . 0.42 109.001 -177.445 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.479 ' O ' HG23 ' A' ' 26' ' ' VAL . 6.5 Cg_exo -33.04 128.69 0.12 Allowed 'Trans proline' 0 C--N 1.364 1.387 1 C-N-CA 125.482 4.121 . . . . 0.41 114.818 175.001 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.4 t -67.27 -5.74 4.07 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 CA-C-O 122.683 1.23 . . . . 0.69 109.488 -179.141 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -110.24 -9.4 14.67 Favored 'General case' 0 N--CA 1.407 -2.59 0 CA-C-N 114.933 -1.031 . . . . 2.34 112.017 -177.015 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.422 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 13.7 t70 -92.68 -17.63 24.03 Favored 'General case' 0 CA--C 1.496 -1.105 0 N-CA-C 107.736 -1.209 . . . . 0.69 107.736 179.174 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.6 HG11 ' HA ' ' A' ' 12' ' ' ALA . 25.0 t -82.96 61.6 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.313 -1.004 0 CA-C-N 114.321 -1.309 . . . . 0.4 108.959 -178.589 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.64 ' O ' HG21 ' A' ' 69' ' ' VAL . 28.6 pttt -91.76 172.42 8.49 Favored 'General case' 0 N--CA 1.422 -1.864 0 CA-C-N 114.071 -1.422 . . . . 1.67 108.081 176.084 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.609 ' HA ' HG23 ' A' ' 69' ' ' VAL . 3.3 tt -68.85 -2.46 9.63 Favored 'General case' 0 CA--C 1.555 1.17 0 N-CA-C 113.816 1.043 . . . . 1.08 113.816 -167.234 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -85.45 -15.79 41.82 Favored 'General case' 0 C--N 1.284 -2.255 0 C-N-CA 125.164 1.386 . . . . 2.11 109.964 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.445 ' HB3' ' HG ' ' A' ' 36' ' ' LEU . 60.0 mmtt -82.23 126.09 31.69 Favored 'General case' 0 C--N 1.298 -1.655 0 N-CA-C 116.055 1.872 . . . . 1.02 116.055 -168.123 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.482 ' HA ' HG22 ' A' ' 68' ' ' THR . 3.7 p -95.02 22.16 6.9 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 113.748 -1.569 . . . . 1.16 112.458 -178.711 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.489 ' HA ' HD12 ' A' ' 36' ' ' LEU . 65.9 m-85 58.15 -108.55 0.42 Allowed 'General case' 0 C--O 1.246 0.88 0 N-CA-C 113.442 0.905 . . . . 0.36 113.442 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.527 HG23 ' HB ' ' A' ' 38' ' ' VAL . 1.5 p -74.95 56.33 0.74 Allowed 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 121.792 0.806 . . . . 0.47 112.765 178.691 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -161.23 -48.69 0.04 OUTLIER 'General case' 0 C--N 1.299 -1.623 0 CA-C-N 114.781 -1.1 . . . . 0.73 109.317 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -108.24 -41.56 4.86 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.516 -0.473 . . . . 1.46 111.351 -179.328 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.489 HD12 ' HA ' ' A' ' 32' ' ' PHE . 96.1 mt -76.21 -39.91 53.49 Favored 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 109.883 -0.414 . . . . 0.58 109.883 178.106 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.3 t70 69.92 93.47 0.08 Allowed 'General case' 0 CA--C 1.503 -0.835 0 C-N-CA 125.082 1.353 . . . . 1.14 108.618 -178.181 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.527 ' HB ' HG23 ' A' ' 33' ' ' THR . 75.1 t -106.49 -92.62 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.288 -2.088 0 CA-C-N 114.077 -1.42 . . . . 1.79 110.111 -170.587 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.1 t70 164.77 -175.49 0.02 OUTLIER 'General case' 0 CA--C 1.506 -0.736 0 N-CA-C 103.032 -2.951 . . . . 0.79 103.032 -177.666 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.435 ' O ' HG23 ' A' ' 44' ' ' VAL . 41.0 p -108.92 -29.76 8.45 Favored 'General case' 0 C--N 1.276 -2.62 0 CA-C-N 118.392 0.542 . . . . 1.23 110.745 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.467 ' O ' ' HG2' ' A' ' 45' ' ' GLU . 76.2 mt -71.99 -36.68 69.85 Favored 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 106.639 -1.615 . . . . 1.02 106.639 178.27 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.523 ' OG ' HG22 ' A' ' 18' ' ' ILE . 33.5 t -71.92 -37.8 69.98 Favored 'General case' 0 N--CA 1.415 -2.203 0 CA-C-N 113.284 -1.78 . . . . 1.02 108.469 177.481 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.446 ' O ' HG23 ' A' ' 47' ' ' VAL . 29.9 tpp -57.99 -47.79 81.94 Favored 'General case' 0 CA--C 1.519 -0.22 0 C-N-CA 123.249 0.62 . . . . 0.55 111.331 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.503 ' O ' HG23 ' A' ' 48' ' ' VAL . 83.9 t -60.2 -41.47 86.91 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.11 0 CA-C-N 115.414 -0.812 . . . . 0.56 110.054 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.682 ' HB2' HG21 ' A' ' 18' ' ' ILE . 10.7 mm-40 -67.18 -35.38 79.52 Favored 'General case' 0 N--CA 1.444 -0.753 0 O-C-N 123.348 0.405 . . . . 2.08 109.917 -179.582 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 42' ' ' SER . 92.7 t -60.77 -45.48 97.77 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 N-CA-C 109.596 -0.52 . . . . 0.52 109.596 176.38 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.554 HG22 HG21 ' A' ' 63' ' ' VAL . 45.8 t -56.49 -61.69 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 N-CA-C 108.306 -0.998 . . . . 0.38 108.306 175.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 44' ' ' VAL . 93.4 t -40.47 -58.1 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.055 0 O-C-N 124.445 1.091 . . . . 0.58 111.55 173.537 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.94 -36.13 82.95 Favored 'General case' 0 C--O 1.21 -1.006 0 N-CA-C 112.798 0.666 . . . . 0.42 112.798 -177.401 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.15 -42.52 98.7 Favored 'General case' 0 C--O 1.25 1.122 0 N-CA-C 109.904 -0.406 . . . . 0.38 109.904 177.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.636 ' HG2' ' H ' ' A' ' 58' ' ' ILE . 45.0 mt-10 -59.98 -44.36 94.54 Favored 'General case' 0 C--O 1.21 -0.985 0 CA-C-N 115.221 -0.899 . . . . 1.36 109.794 177.616 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -77.55 -26.12 50.7 Favored 'General case' 0 C--N 1.306 -1.322 0 N-CA-C 112.788 0.662 . . . . 2.09 112.788 -176.608 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 17.0 tpt85 -83.07 -34.86 26.08 Favored 'General case' 0 C--N 1.307 -1.266 0 CA-C-O 120.767 0.318 . . . . 2.75 111.195 -174.204 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.608 ' HB2' HG12 ' A' ' 56' ' ' VAL . 36.0 m-85 -112.6 -1.24 14.91 Favored 'General case' 0 C--N 1.305 -1.345 0 C-N-CA 120.281 -0.567 . . . . 0.73 111.054 -177.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 65.06 16.38 10.53 Favored 'General case' 0 N--CA 1.493 1.676 0 C-N-CA 125.235 1.414 . . . . 2.02 112.905 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.608 HG12 ' HB2' ' A' ' 54' ' ' PHE . 5.8 p -100.98 122.53 53.15 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.5 0 CA-C-N 115.359 -0.837 . . . . 1.61 110.41 -177.846 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 49.1 tptt -64.84 104.56 0.86 Allowed 'General case' 0 C--N 1.296 -1.731 0 CA-C-N 115.258 -0.883 . . . . 1.67 110.476 175.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.671 HD11 HG12 ' A' ' 76' ' ' ILE . 51.0 mt -115.98 99.08 52.28 Favored Pre-proline 0 C--N 1.305 -1.366 0 N-CA-C 106.305 -1.739 . . . . 0.49 106.305 175.541 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.495 ' HD2' ' HB2' ' A' ' 62' ' ' ASP . 7.9 Cg_exo -70.04 142.79 47.61 Favored 'Trans proline' 0 N--CA 1.443 -1.446 0 C-N-CA 121.53 1.487 . . . . 0.62 111.924 -177.808 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.417 ' O ' HG12 ' A' ' 63' ' ' VAL . 4.1 m-20 -44.13 -25.13 0.2 Allowed 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 124.784 1.234 . . . . 2.0 112.171 170.638 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.4 ' HA ' ' HE2' ' A' ' 64' ' ' LYS . 4.9 m-20 -73.13 -59.32 2.76 Favored 'General case' 0 C--N 1.317 -0.829 0 C-N-CA 123.289 0.636 . . . . 2.09 109.94 176.605 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.495 ' HB2' ' HD2' ' A' ' 59' ' ' PRO . 76.0 m-20 -66.73 -31.05 71.46 Favored 'General case' 0 CA--C 1.481 -1.71 0 CA-C-N 116.046 -0.525 . . . . 1.58 111.769 -176.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.554 HG21 HG22 ' A' ' 47' ' ' VAL . 2.9 p -61.16 -23.52 30.33 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.396 0 O-C-N 123.544 0.527 . . . . 0.69 110.977 -178.214 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.4 ' HE2' ' HA ' ' A' ' 61' ' ' ASP . 42.1 mttm -71.87 -19.73 61.91 Favored 'General case' 0 C--N 1.347 0.476 0 CA-C-O 121.564 0.697 . . . . 2.44 110.147 -179.42 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -88.98 -18.79 26.68 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-N 115.519 -0.764 . . . . 1.94 110.446 -177.574 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.816 HD13 ' HA ' ' A' ' 72' ' ' ALA . 64.2 mt -76.52 -66.9 0.75 Allowed 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 115.69 -0.686 . . . . 1.67 109.286 -178.094 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.471 ' HA ' ' H3 ' ' A' ' 101' ' ' SHW 0.29 38.6 mmtt 71.84 -39.55 0.45 Allowed 'General case' 0 C--N 1.314 -0.975 0 N-CA-C 116.397 1.999 . . . . 3.18 116.397 178.165 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.482 HG22 ' HA ' ' A' ' 31' ' ' SER . 17.8 p -111.61 156.27 22.05 Favored 'General case' 0 C--N 1.264 -3.112 0 C-N-CA 119.281 -0.968 . . . . 0.51 111.402 179.508 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.64 HG21 ' O ' ' A' ' 27' ' ' LYS . 4.0 m -52.23 -47.71 44.47 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.577 0 CA-C-N 114.382 -1.281 . . . . 0.35 110.879 176.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.458 ' CA ' ' HG ' ' A' ' 28' ' ' LEU . . . -69.18 -31.57 72.02 Favored Glycine 0 N--CA 1.439 -1.115 0 CA-C-N 116.127 -0.488 . . . . 0.3 113.591 -179.296 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -74.28 -38.37 63.42 Favored 'General case' 0 CA--C 1.505 -0.784 0 N-CA-C 107.843 -1.169 . . . . 1.79 107.843 -179.086 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.816 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -58.87 -54.38 47.76 Favored 'General case' 0 C--O 1.212 -0.883 0 CA-C-N 114.918 -1.037 . . . . 0.29 108.556 174.64 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.576 HG23 ' HB ' ' A' ' 7' ' ' ILE . 96.9 m -48.37 -48.27 36.82 Favored 'General case' 0 C--O 1.195 -1.78 0 C-N-CA 123.953 0.901 . . . . 0.31 112.15 173.466 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.8 ttpp -55.91 -40.17 72.67 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 118.301 0.501 . . . . 2.93 111.267 177.194 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.576 ' O ' ' HB2' ' A' ' 79' ' ' HIS . 69.9 t80 -69.72 -47.28 63.69 Favored 'General case' 0 C--O 1.21 -1.008 0 N-CA-C 108.452 -0.944 . . . . 0.53 108.452 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.671 HG12 HD11 ' A' ' 58' ' ' ILE . 96.0 mt -59.71 -51.63 70.57 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.958 0 CA-C-N 115.357 -0.838 . . . . 0.27 110.087 179.257 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 27.2 tp -52.84 -43.09 65.77 Favored 'General case' 0 C--N 1.316 -0.85 0 C-N-CA 124.195 0.998 . . . . 1.15 111.379 -179.255 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -85.47 -41.63 15.19 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 123.718 0.636 . . . . 0.67 112.11 -174.294 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.576 ' HB2' ' O ' ' A' ' 75' ' ' TYR . 0.2 OUTLIER -72.14 -55.77 6.72 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-N 115.854 -0.612 . . . . 1.53 110.408 -176.901 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 49.22 -172.69 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.083 0.953 . . . . 0.89 112.797 -174.67 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.293 -1.866 0 N-CA-C 107.35 -1.352 . . . . 2.36 107.35 173.401 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 101' ' ' SHW . . . . . 0.471 ' H3 ' ' HA ' ' A' ' 67' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.509 -0.626 0 N-CA-C 109.034 -0.728 . . . . 2.05 109.034 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -130.45 154.07 48.13 Favored 'General case' 0 CA--C 1.476 -1.882 0 N-CA-C 108.489 -0.93 . . . . 1.02 108.489 -175.003 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.579 ' O ' HG13 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -71.57 128.84 37.12 Favored 'General case' 0 C--N 1.278 -2.534 0 N-CA-C 106.609 -1.626 . . . . 1.05 106.609 -179.501 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.572 ' HA ' HD12 ' A' ' 7' ' ' ILE . 52.4 mt-30 -49.72 -39.51 37.38 Favored 'General case' 0 N--CA 1.486 1.33 0 N-CA-C 115.989 1.848 . . . . 1.25 115.989 -171.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -79.04 -24.54 43.54 Favored 'General case' 0 C--N 1.298 -1.65 0 CA-C-O 121.45 0.643 . . . . 2.3 109.696 -178.691 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.578 ' HB3' ' O ' ' A' ' 3' ' ' THR . 40.1 tt0 -74.78 -30.78 61.55 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 107.771 -1.196 . . . . 1.92 107.771 176.006 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.579 HG13 ' O ' ' A' ' 3' ' ' THR . 45.8 mt -64.75 -57.4 11.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 107.177 -1.416 . . . . 0.29 107.177 172.555 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.452 ' HA ' HD12 ' A' ' 11' ' ' LEU . 95.4 t -54.85 -38.45 44.51 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.871 0 CA-C-N 115.812 -0.631 . . . . 0.32 110.972 177.124 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.83 -41.54 99.37 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 122.57 0.348 . . . . 0.32 111.237 177.437 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.24 -39.96 97.53 Favored Glycine 0 CA--C 1.493 -1.321 0 N-CA-C 109.81 -1.316 . . . . 0.31 109.81 177.366 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.521 ' O ' HG23 ' A' ' 15' ' ' VAL . 96.3 mt -60.79 -50.88 71.68 Favored 'General case' 0 C--N 1.313 -0.982 0 N-CA-C 109.664 -0.495 . . . . 0.29 109.664 175.768 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.0 -44.72 74.79 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 124.341 1.056 . . . . 0.24 112.369 -178.42 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -65.3 -36.02 82.77 Favored 'General case' 0 C--O 1.241 0.635 0 N-CA-C 112.274 0.472 . . . . 1.46 112.274 -179.534 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 97.1 mt -68.68 -48.76 69.88 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.303 0 CA-C-N 115.465 -0.789 . . . . 0.41 109.385 176.061 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.539 HG12 ' HB ' ' A' ' 21' ' ' ILE . 95.3 t -56.93 -47.42 83.26 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.33 0 CA-C-N 115.673 -0.694 . . . . 0.29 110.393 178.721 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -62.64 -32.41 73.45 Favored 'General case' 0 C--N 1.298 -1.658 0 CA-C-O 120.981 0.419 . . . . 0.64 111.534 -179.177 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -76.51 -51.16 12.25 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 115.615 -0.72 . . . . 2.0 111.03 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.638 HG21 ' HB2' ' A' ' 45' ' ' GLU . 83.6 mt -89.01 -53.57 9.22 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.095 0 CA-C-O 121.155 0.502 . . . . 0.28 112.16 -174.485 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.436 ' CB ' HG13 ' A' ' 38' ' ' VAL . . . -76.19 -36.41 58.68 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 116.26 -0.427 . . . . 0.34 110.363 -177.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.66 32.56 18.42 Favored Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 110.966 -0.854 . . . . 0.46 110.966 -178.575 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.539 ' HB ' HG12 ' A' ' 15' ' ' VAL . 50.3 mm -110.9 133.04 21.35 Favored Pre-proline 0 C--N 1.318 -0.794 0 O-C-N 122.911 -0.17 . . . . 0.42 110.724 -176.115 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.51 ' HB2' ' HB2' ' A' ' 25' ' ' ASP . 11.4 Cg_exo -31.4 123.42 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.124 1 C-N-CA 126.078 4.518 . . . . 0.41 115.105 173.668 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 90.6 t -57.14 -34.68 45.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 113.948 -1.478 . . . . 0.69 109.986 -179.058 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -98.6 2.39 47.32 Favored 'General case' 0 N--CA 1.423 -1.792 0 N-CA-C 113.533 0.938 . . . . 2.34 113.533 -177.11 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.552 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 29.8 t70 -86.35 -25.3 25.46 Favored 'General case' 0 CA--C 1.503 -0.831 0 N-CA-C 106.061 -1.829 . . . . 0.69 106.061 172.38 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.736 HG13 HG11 ' A' ' 69' ' ' VAL . 55.8 t -72.17 78.61 0.29 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.833 0 CA-C-N 114.029 -1.441 . . . . 0.4 108.906 173.41 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.428 ' O ' HG21 ' A' ' 69' ' ' VAL . 62.6 mttm -91.84 -135.77 0.15 Allowed 'General case' 0 C--N 1.307 -1.242 0 CA-C-N 113.838 -1.528 . . . . 1.67 107.689 178.638 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.478 ' HA ' HG23 ' A' ' 69' ' ' VAL . 0.3 OUTLIER -114.68 -14.57 12.02 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 118.842 0.747 . . . . 1.08 111.401 174.504 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -88.72 2.58 53.13 Favored 'General case' 0 C--N 1.295 -1.781 0 C-N-CA 125.717 1.607 . . . . 2.11 109.463 -173.056 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.552 ' HG3' ' O ' ' A' ' 25' ' ' ASP . 75.8 mmtt -98.28 115.73 29.0 Favored 'General case' 0 C--N 1.275 -2.652 0 CA-C-N 114.027 -1.442 . . . . 1.02 114.049 -170.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.531 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 5.5 m -86.9 113.31 22.58 Favored 'General case' 0 N--CA 1.402 -2.869 0 N-CA-C 105.197 -2.149 . . . . 1.16 105.197 170.558 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.687 ' HA ' HD12 ' A' ' 36' ' ' LEU . 89.6 m-85 -31.3 -82.96 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 114.684 1.365 . . . . 0.36 114.684 177.788 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.615 HG23 ' HB ' ' A' ' 38' ' ' VAL . 0.8 OUTLIER -81.94 64.77 6.78 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 114.539 1.311 . . . . 0.47 114.539 177.347 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -175.73 -53.0 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.719 -0.673 . . . . 0.73 110.325 174.641 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -88.85 -47.71 7.99 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 115.867 -0.606 . . . . 1.46 110.541 178.718 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.687 HD12 ' HA ' ' A' ' 32' ' ' PHE . 96.5 mt -76.14 -44.61 37.51 Favored 'General case' 0 CA--C 1.505 -0.771 0 CA-C-N 116.125 -0.489 . . . . 0.58 109.982 -179.709 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.0 t70 79.59 86.84 0.06 Allowed 'General case' 0 CA--C 1.505 -0.751 0 C-N-CA 125.639 1.575 . . . . 1.14 109.543 177.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.615 ' HB ' HG23 ' A' ' 33' ' ' THR . 55.8 t -100.26 -102.96 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.423 -1.797 0 CA-C-N 114.275 -1.33 . . . . 1.79 109.114 -177.128 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.9 t70 176.26 -173.42 0.09 Allowed 'General case' 0 C--N 1.31 -1.109 0 N-CA-C 105.988 -1.856 . . . . 0.79 105.988 -177.187 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.505 ' HA ' ' H37' ' A' ' 101' ' ' SHW . 66.0 m -83.51 -44.78 14.32 Favored 'General case' 0 C--N 1.294 -1.83 0 CA-C-O 121.699 0.761 . . . . 1.23 109.883 -178.78 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 87.5 mt -78.73 -45.11 21.94 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-N 115.021 -0.991 . . . . 1.02 112.429 -169.002 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.542 ' O ' HG23 ' A' ' 46' ' ' VAL . 2.9 p -70.08 -23.42 63.07 Favored 'General case' 0 N--CA 1.424 -1.772 0 CA-C-N 115.308 -0.86 . . . . 1.02 110.869 -175.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.439 ' CE ' HG23 ' A' ' 33' ' ' THR . 25.3 tpp -61.54 -43.46 98.82 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.538 -0.755 . . . . 0.55 110.63 177.472 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 48.6 t -69.98 -32.96 53.33 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.97 0 CA-C-N 115.411 -0.813 . . . . 0.56 109.507 -177.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.638 ' HB2' HG21 ' A' ' 18' ' ' ILE . 46.6 mt-10 -68.65 -37.45 79.68 Favored 'General case' 0 N--CA 1.437 -1.121 0 N-CA-C 109.717 -0.475 . . . . 2.08 109.717 178.507 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 42' ' ' SER . 86.0 t -58.87 -47.48 89.35 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.297 0 N-CA-C 109.466 -0.568 . . . . 0.52 109.466 176.214 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.436 HG22 HG21 ' A' ' 63' ' ' VAL . 62.6 t -54.8 -63.67 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 O-C-N 123.58 0.55 . . . . 0.38 109.554 176.069 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 76.2 t -45.03 -53.55 1.54 Allowed 'Isoleucine or valine' 0 CA--C 1.553 1.08 0 O-C-N 124.202 0.939 . . . . 0.58 112.1 177.56 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.98 -36.82 85.22 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 111.918 0.34 . . . . 0.42 111.918 -178.719 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.64 -37.27 85.67 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.588 0.232 . . . . 0.38 111.143 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.638 ' HG2' ' H ' ' A' ' 58' ' ' ILE . 43.0 mt-10 -57.55 -47.71 81.31 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.181 0.515 . . . . 1.36 109.878 177.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -76.06 -40.61 52.87 Favored 'General case' 0 C--N 1.306 -1.3 0 CA-C-N 115.943 -0.572 . . . . 2.09 111.962 -178.056 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 22.1 tpt180 -68.06 -35.09 77.65 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.405 0.621 . . . . 2.75 110.704 -172.592 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.459 ' HB2' HG22 ' A' ' 56' ' ' VAL . 6.6 m-85 -97.53 -4.03 38.65 Favored 'General case' 0 C--N 1.299 -1.616 0 CA-C-N 115.242 -0.89 . . . . 0.73 110.519 -177.083 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 62.65 19.63 11.47 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 124.625 1.17 . . . . 2.02 112.177 179.567 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.459 HG22 ' HB2' ' A' ' 54' ' ' PHE . 32.1 m -109.83 -166.72 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.352 0 CA-C-N 115.62 -0.718 . . . . 1.61 109.233 -178.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.41 ' HD2' ' O ' ' A' ' 56' ' ' VAL . 13.9 mmmm -128.68 120.43 26.5 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 108.633 -0.877 . . . . 1.67 108.633 172.364 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.638 ' H ' ' HG2' ' A' ' 51' ' ' GLU . 30.9 mt -127.45 86.08 59.38 Favored Pre-proline 0 C--N 1.296 -1.751 0 N-CA-C 105.39 -2.078 . . . . 0.49 105.39 177.027 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -69.09 143.39 53.94 Favored 'Trans proline' 0 N--CA 1.445 -1.374 0 C-N-CA 121.57 1.514 . . . . 0.62 112.921 -174.131 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.492 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 23.8 t70 -43.61 -27.97 0.35 Allowed 'General case' 0 C--O 1.207 -1.171 0 C-N-CA 124.994 1.318 . . . . 2.0 112.702 174.349 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -70.07 -59.1 3.11 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-O 120.757 0.313 . . . . 2.09 111.522 177.062 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -76.26 -22.75 54.76 Favored 'General case' 0 N--CA 1.486 1.328 0 N-CA-C 112.537 0.569 . . . . 1.58 112.537 -174.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.478 HG23 HD12 ' A' ' 66' ' ' LEU . 4.2 p -63.72 -22.45 30.97 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.57 0 CA-C-O 121.288 0.566 . . . . 0.69 110.786 -179.265 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.492 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 64.0 mttm -72.41 -2.71 20.43 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 115.692 -0.686 . . . . 2.44 112.566 -177.812 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -107.14 6.61 28.96 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-O 122.357 1.075 . . . . 1.94 108.731 176.519 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.796 HD13 ' HA ' ' A' ' 72' ' ' ALA . 64.0 mt -94.9 -68.12 0.82 Allowed 'General case' 0 C--O 1.201 -1.466 0 O-C-N 121.74 -0.6 . . . . 1.67 110.524 -179.706 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . 0.411 0.1 OUTLIER 59.7 -28.34 0.04 OUTLIER 'General case' 0 N--CA 1.5 2.052 0 N-CA-C 116.698 2.11 . . . . 3.18 116.698 178.598 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.531 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 66.8 p -111.88 169.05 9.1 Favored 'General case' 0 CA--C 1.488 -1.432 0 O-C-N 121.271 -0.893 . . . . 0.51 110.201 174.56 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.736 HG11 HG13 ' A' ' 26' ' ' VAL . 3.3 m -69.35 -36.62 72.97 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.287 0 CA-C-N 113.863 -1.517 . . . . 0.35 109.991 173.093 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -70.75 -47.9 37.74 Favored Glycine 0 N--CA 1.442 -0.923 0 CA-C-N 115.481 -0.782 . . . . 0.3 111.716 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -61.37 -39.32 90.21 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 110.083 -0.34 . . . . 1.79 110.083 177.635 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.796 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -57.99 -59.46 5.23 Favored 'General case' 0 C--O 1.217 -0.636 0 N-CA-C 109.673 -0.491 . . . . 0.29 109.673 177.699 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.423 ' HA ' HG21 ' A' ' 7' ' ' ILE . 92.4 m -48.91 -42.2 36.21 Favored 'General case' 0 C--O 1.214 -0.779 0 C-N-CA 124.277 1.031 . . . . 0.31 112.695 175.077 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -59.2 -40.22 85.07 Favored 'General case' 0 C--N 1.313 -1.008 0 C-N-CA 123.392 0.677 . . . . 2.93 110.123 179.421 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -76.41 -40.47 50.71 Favored 'General case' 0 C--O 1.216 -0.67 0 CA-C-N 115.855 -0.611 . . . . 0.53 109.641 178.316 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.515 HG13 ' O ' ' A' ' 72' ' ' ALA . 75.3 mt -66.51 -41.89 89.26 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.551 0 N-CA-C 109.946 -0.391 . . . . 0.27 109.946 -178.043 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.463 ' HA ' ' HG2' ' A' ' 80' ' ' GLN . 29.0 tp -65.56 -24.97 67.22 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 121.126 0.489 . . . . 1.15 110.136 178.745 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -84.79 -41.68 15.89 Favored 'General case' 0 C--N 1.307 -1.273 0 CA-C-N 115.381 -0.827 . . . . 0.67 110.44 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -91.17 5.57 48.5 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 115.371 -0.831 . . . . 1.53 112.197 -176.046 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.463 ' HG2' ' HA ' ' A' ' 77' ' ' LEU . 12.3 mm100 -35.52 137.73 0.18 Allowed 'General case' 0 C--O 1.249 1.078 0 N-CA-C 115.123 1.527 . . . . 0.89 115.123 178.612 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.42 -1.954 0 CA-C-N 114.309 -1.314 . . . . 2.36 107.551 177.746 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 101' ' ' SHW . . . . . 0.515 ' H4 ' ' CD2' ' A' ' 32' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.543 ' HA ' HE21 ' A' ' 80' ' ' GLN . . . . . . . . 0 N--CA 1.471 0.614 0 N-CA-C 109.105 -0.702 . . . . 2.05 109.105 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -145.41 155.03 42.9 Favored 'General case' 0 CA--C 1.468 -2.176 0 N-CA-C 106.903 -1.517 . . . . 1.02 106.903 -176.36 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.682 ' O ' HG13 ' A' ' 7' ' ' ILE . 64.2 p -66.03 158.26 28.79 Favored 'General case' 0 N--CA 1.426 -1.659 0 N-CA-C 107.448 -1.315 . . . . 1.05 107.448 177.576 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.566 ' HA ' HD12 ' A' ' 7' ' ' ILE . 52.7 mt-30 -69.74 -20.97 63.5 Favored 'General case' 0 C--N 1.275 -2.649 0 CA-C-O 121.367 0.603 . . . . 1.25 110.845 -177.355 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -73.93 -41.27 62.3 Favored 'General case' 0 C--O 1.204 -1.327 0 N-CA-C 108.279 -1.008 . . . . 2.3 108.279 176.092 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -61.45 -38.17 86.23 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.061 -0.972 . . . . 1.92 108.844 178.592 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.706 HG21 ' HA ' ' A' ' 73' ' ' THR . 52.3 mt -62.51 -60.45 2.72 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.844 0 CA-C-N 114.985 -1.007 . . . . 0.29 108.914 177.785 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.4 t -54.3 -40.46 48.05 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.082 0 CA-C-N 115.816 -0.629 . . . . 0.32 111.782 177.396 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.31 -40.02 95.08 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.013 0.435 . . . . 0.32 110.218 177.389 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.06 -40.06 96.77 Favored Glycine 0 C--O 1.209 -1.454 0 N-CA-C 110.088 -1.205 . . . . 0.31 110.088 177.079 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.403 ' O ' HG23 ' A' ' 15' ' ' VAL . 94.6 mt -63.31 -47.12 83.58 Favored 'General case' 0 C--N 1.306 -1.32 0 N-CA-C 109.878 -0.416 . . . . 0.29 109.878 175.246 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.517 ' HB1' HG13 ' A' ' 23' ' ' VAL . . . -56.72 -43.77 80.94 Favored 'General case' 0 C--N 1.318 -0.787 0 C-N-CA 123.615 0.766 . . . . 0.24 112.466 -178.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -65.82 -43.77 87.6 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-O 121.004 0.43 . . . . 1.46 111.6 179.121 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.469 HG23 HD12 ' A' ' 18' ' ' ILE . 95.8 mt -63.24 -51.56 69.72 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.295 0 CA-C-N 115.607 -0.724 . . . . 0.41 110.102 178.514 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 11' ' ' LEU . 89.3 t -61.01 -37.6 77.65 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 CA-C-N 115.771 -0.649 . . . . 0.29 111.383 -179.623 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.444 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 61.4 t30 -65.62 -37.55 86.91 Favored 'General case' 0 C--N 1.305 -1.359 0 C-N-CA 120.277 -0.569 . . . . 0.64 110.578 -179.377 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -81.34 -48.13 12.38 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 116.099 -0.501 . . . . 2.0 111.828 -177.748 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.681 HG21 ' HB2' ' A' ' 45' ' ' GLU . 97.0 mt -81.33 -53.25 12.64 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.192 0 N-CA-C 112.038 0.385 . . . . 0.28 112.038 -176.677 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.715 ' HB1' HG21 ' A' ' 38' ' ' VAL . . . -79.68 -36.73 37.18 Favored 'General case' 0 C--N 1.31 -1.145 0 CA-C-O 121.219 0.533 . . . . 0.34 110.291 -176.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.86 7.96 60.93 Favored Glycine 0 C--N 1.31 -0.879 0 C-N-CA 120.75 -0.738 . . . . 0.46 111.297 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.646 HG21 HD22 ' A' ' 36' ' ' LEU . 51.0 mm -91.44 130.62 38.85 Favored Pre-proline 0 C--N 1.314 -0.966 0 N-CA-C 108.987 -0.746 . . . . 0.42 108.987 -178.785 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.485 ' O ' HG23 ' A' ' 26' ' ' VAL . 6.5 Cg_exo -34.99 127.1 0.23 Allowed 'Trans proline' 0 C--N 1.352 0.756 1 C-N-CA 125.406 4.07 . . . . 0.41 114.981 175.713 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.517 HG13 ' HB1' ' A' ' 12' ' ' ALA . 71.1 t -51.2 -33.28 13.47 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.252 0 C-N-CA 124.787 1.235 . . . . 0.69 109.01 174.186 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -82.02 -25.09 34.98 Favored 'General case' 0 N--CA 1.413 -2.275 0 CA-C-N 113.966 -1.47 . . . . 2.34 112.276 -174.725 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.471 ' O ' ' HE3' ' A' ' 30' ' ' LYS . 26.9 t70 -82.99 -19.39 37.13 Favored 'General case' 0 CA--C 1.503 -0.842 0 N-CA-C 108.337 -0.986 . . . . 0.69 108.337 178.83 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 22' ' ' PRO . 58.4 t -73.75 76.51 0.37 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.694 0 CA-C-O 122.411 1.1 . . . . 0.4 108.743 175.008 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.588 ' O ' HG21 ' A' ' 69' ' ' VAL . 94.3 mttt -91.57 -145.71 0.2 Allowed 'General case' 0 C--N 1.305 -1.34 0 CA-C-N 114.05 -1.432 . . . . 1.67 108.406 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.0 tt -114.66 -13.93 12.07 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 119.386 0.994 . . . . 1.08 111.657 -175.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -87.99 -9.77 52.46 Favored 'General case' 0 C--N 1.301 -1.503 0 CA-C-O 122.466 1.127 . . . . 2.11 109.596 179.452 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.611 ' O ' HG22 ' A' ' 69' ' ' VAL . 66.8 mmtt -72.21 114.35 10.23 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-N 114.281 -1.327 . . . . 1.02 114.522 -172.053 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.553 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 3.9 m -85.34 36.07 0.62 Allowed 'General case' 0 C--N 1.287 -2.126 0 CA-C-N 115.031 -0.986 . . . . 1.16 113.503 -178.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.676 ' HA ' HD12 ' A' ' 36' ' ' LEU . 50.2 m-85 48.97 -111.21 0.44 Allowed 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 114.318 1.229 . . . . 0.36 114.318 179.544 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.08 38.22 0.13 Allowed 'General case' 0 C--N 1.314 -0.943 0 N-CA-C 114.025 1.12 . . . . 0.47 114.025 -179.192 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.45 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 9.7 t70 -143.19 -66.53 0.37 Allowed 'General case' 0 C--N 1.296 -1.745 0 CA-C-N 114.881 -1.054 . . . . 0.73 108.598 177.402 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -76.59 -51.29 11.89 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 119.484 -0.886 . . . . 1.46 109.8 179.447 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.676 HD12 ' HA ' ' A' ' 32' ' ' PHE . 79.4 mt -66.33 -50.73 62.6 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 107.695 -1.224 . . . . 0.58 107.695 177.595 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.1 t70 66.43 90.72 0.09 Allowed 'General case' 0 CA--C 1.507 -0.699 0 CA-C-N 114.466 -1.243 . . . . 1.14 109.624 177.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.715 HG21 ' HB1' ' A' ' 19' ' ' ALA . 4.0 p -119.97 -89.23 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.412 -2.339 0 N-CA-C 114.456 1.28 . . . . 1.79 114.456 -179.316 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.687 ' H ' HG13 ' A' ' 38' ' ' VAL . 7.6 t70 -158.18 172.38 18.49 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 106.225 -1.769 . . . . 0.79 106.225 -172.335 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 47.6 t -95.51 -39.88 9.74 Favored 'General case' 0 C--N 1.265 -3.104 0 CA-C-O 121.895 0.855 . . . . 1.23 109.117 -174.244 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 68.2 mt -79.63 -24.99 41.52 Favored 'General case' 0 C--N 1.301 -1.543 0 CA-C-N 114.777 -1.101 . . . . 1.02 109.382 -172.442 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.509 ' O ' HG23 ' A' ' 46' ' ' VAL . 31.4 m -79.38 -26.82 41.9 Favored 'General case' 0 N--CA 1.423 -1.781 0 CA-C-N 115.138 -0.937 . . . . 1.02 109.532 176.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.485 ' CE ' ' HB3' ' A' ' 32' ' ' PHE . 32.7 tpp -67.59 -40.2 84.81 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.482 0.658 . . . . 0.55 110.284 -178.194 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.463 ' O ' HG23 ' A' ' 48' ' ' VAL . 40.4 t -67.18 -36.95 78.21 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.249 0 CA-C-N 115.373 -0.831 . . . . 0.56 109.758 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.681 ' HB2' HG21 ' A' ' 18' ' ' ILE . 31.6 mm-40 -66.3 -35.21 79.8 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 116.5 -0.318 . . . . 2.08 110.397 178.213 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 42' ' ' SER . 99.5 t -60.58 -45.16 97.68 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.644 0 N-CA-C 108.899 -0.778 . . . . 0.52 108.899 176.277 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.679 HG22 HG21 ' A' ' 63' ' ' VAL . 59.4 t -54.32 -62.47 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 N-CA-C 108.812 -0.81 . . . . 0.38 108.812 175.198 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 44' ' ' VAL . 95.5 t -41.68 -60.04 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 124.278 0.986 . . . . 0.58 111.218 175.42 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.6 -39.72 92.25 Favored 'General case' 0 C--O 1.218 -0.595 0 N-CA-C 112.61 0.596 . . . . 0.42 112.61 -177.284 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.3 -37.59 78.1 Favored 'General case' 0 C--O 1.241 0.636 0 C-N-CA 122.297 0.239 . . . . 0.38 111.243 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.655 ' HG2' ' H ' ' A' ' 58' ' ' ILE . 28.6 mt-10 -59.99 -42.16 93.62 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 116.282 -0.417 . . . . 1.36 110.596 177.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -81.35 -39.29 25.3 Favored 'General case' 0 C--N 1.309 -1.173 0 O-C-N 124.012 0.82 . . . . 2.09 111.644 -176.127 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 51.7 tpt85 -72.21 -36.76 69.25 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.422 0.629 . . . . 2.75 110.766 -174.667 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.525 ' CE2' HD13 ' A' ' 76' ' ' ILE . 24.3 m-85 -99.78 -16.72 18.0 Favored 'General case' 0 C--N 1.292 -1.892 0 C-N-CA 120.127 -0.629 . . . . 0.73 111.447 -178.588 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 33.5 t70 64.76 13.13 8.21 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 124.749 1.22 . . . . 2.02 110.236 -179.327 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.507 HG12 ' HA ' ' A' ' 80' ' ' GLN . 33.1 m -88.42 -13.43 9.94 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.83 0 CA-C-N 115.13 -0.941 . . . . 1.61 111.255 -175.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.429 ' HE2' ' OE1' ' A' ' 51' ' ' GLU . 14.2 mmmm 53.54 88.36 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 124.715 1.206 . . . . 1.67 112.139 -177.369 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.655 ' H ' ' HG2' ' A' ' 51' ' ' GLU . 23.9 mt -98.38 97.98 5.27 Favored Pre-proline 0 C--N 1.307 -1.247 0 N-CA-C 107.436 -1.32 . . . . 0.49 107.436 176.057 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -72.53 147.96 47.04 Favored 'Trans proline' 0 N--CA 1.44 -1.663 0 C-N-CA 120.968 1.112 . . . . 0.62 111.491 -177.655 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.591 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 5.5 m-20 -42.72 -34.34 0.89 Allowed 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 125.166 1.387 . . . . 2.0 112.328 176.045 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.476 ' HA ' ' HE2' ' A' ' 64' ' ' LYS . 12.6 t70 -62.52 -56.97 13.03 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-O 121.186 0.517 . . . . 2.09 110.799 179.255 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -74.64 -27.66 60.54 Favored 'General case' 0 CA--C 1.487 -1.454 0 CA-C-N 116.267 -0.424 . . . . 1.58 111.111 -175.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.679 HG21 HG22 ' A' ' 47' ' ' VAL . 1.1 p -61.7 -22.86 29.32 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 CA-C-O 121.289 0.566 . . . . 0.69 110.823 -177.618 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.591 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 54.4 mtmt -71.4 -8.79 56.1 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-N 115.55 -0.75 . . . . 2.44 112.058 -179.068 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 28.7 m-80 -102.95 0.66 32.62 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 116.166 -0.47 . . . . 1.94 109.753 -178.089 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.663 HD13 ' HA ' ' A' ' 72' ' ' ALA . 70.9 mt -90.09 -62.86 1.37 Allowed 'General case' 0 C--N 1.312 -1.038 0 C-N-CA 120.718 -0.393 . . . . 1.67 110.866 -175.572 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.402 ' HA ' ' H3 ' ' A' ' 101' ' ' SHW 0.522 0.0 OUTLIER 57.44 -6.23 0.04 OUTLIER 'General case' 0 CA--C 1.559 1.327 0 N-CA-C 118.405 2.742 . . . . 3.18 118.405 179.709 . . . . . . . . 4 4 . 1 . 011 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.553 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 57.2 p -137.19 172.85 12.38 Favored 'General case' 0 CA--C 1.498 -1.029 0 O-C-N 121.319 -0.863 . . . . 0.51 109.487 169.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.611 HG22 ' O ' ' A' ' 30' ' ' LYS . 2.4 m -69.91 -45.55 76.52 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.573 0 CA-C-N 114.757 -1.11 . . . . 0.35 109.783 171.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -63.47 -42.66 98.93 Favored Glycine 0 N--CA 1.446 -0.639 0 CA-C-N 116.178 -0.465 . . . . 0.3 112.936 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -70.76 -32.53 69.7 Favored 'General case' 0 CA--C 1.508 -0.673 0 O-C-N 122.463 -0.433 . . . . 1.79 110.395 178.282 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.663 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -60.55 -57.14 14.0 Favored 'General case' 0 C--O 1.208 -1.104 0 N-CA-C 108.245 -1.021 . . . . 0.29 108.245 173.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.706 ' HA ' HG21 ' A' ' 7' ' ' ILE . 85.2 m -47.7 -41.99 23.97 Favored 'General case' 0 C--O 1.209 -1.073 0 C-N-CA 124.365 1.066 . . . . 0.31 112.748 174.276 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -59.55 -42.28 92.03 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 118.109 0.413 . . . . 2.93 110.658 177.478 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.476 ' O ' ' HB2' ' A' ' 79' ' ' HIS . 55.0 t80 -72.21 -42.46 65.75 Favored 'General case' 0 C--O 1.205 -1.28 0 N-CA-C 109.137 -0.69 . . . . 0.53 109.137 179.78 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.601 HG12 HD11 ' A' ' 58' ' ' ILE . 76.0 mt -65.57 -43.87 94.03 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.288 0 CA-C-N 116.078 -0.51 . . . . 0.27 109.927 -178.818 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.454 HD22 ' CD ' ' A' ' 4' ' ' GLN . 21.0 tp -63.88 -26.26 68.53 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.205 0.526 . . . . 1.15 110.794 178.481 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -87.53 -34.3 18.66 Favored 'General case' 0 C--N 1.304 -1.411 0 CA-C-O 121.81 0.814 . . . . 0.67 110.425 -179.568 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.476 ' HB2' ' O ' ' A' ' 75' ' ' TYR . 0.2 OUTLIER -92.85 2.78 56.59 Favored 'General case' 0 C--N 1.308 -1.199 0 CA-C-N 114.991 -1.004 . . . . 1.53 111.172 -176.073 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.543 HE21 ' HA ' ' A' ' 1' ' ' ALA . 11.1 mm100 -38.16 133.35 0.93 Allowed 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 115.575 1.694 . . . . 0.89 115.575 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.421 -1.907 0 N-CA-C 107.084 -1.45 . . . . 2.36 107.084 174.464 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 101' ' ' SHW . . . . . 0.421 ' S1 ' ' HG2' ' A' ' 43' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.481 ' HA ' ' HG3' ' A' ' 80' ' ' GLN . . . . . . . . 0 CA--C 1.515 -0.367 0 N-CA-C 109.536 -0.542 . . . . 2.05 109.536 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -133.68 -165.19 1.59 Allowed 'General case' 0 N--CA 1.43 -1.437 0 N-CA-C 106.644 -1.613 . . . . 1.02 106.644 -177.649 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.501 ' O ' HG13 ' A' ' 7' ' ' ILE . 23.8 m -93.48 118.25 31.1 Favored 'General case' 0 C--N 1.281 -2.378 0 N-CA-C 108.109 -1.071 . . . . 1.05 108.109 179.49 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.457 ' HA ' HD12 ' A' ' 7' ' ' ILE . 79.2 mt-30 -49.26 -37.24 22.91 Favored 'General case' 0 N--CA 1.485 1.298 0 N-CA-C 112.809 0.67 . . . . 1.25 112.809 -178.247 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -64.45 -33.86 76.85 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 116.243 -0.435 . . . . 2.3 110.905 179.337 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -72.31 -37.97 68.82 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.078 -0.712 . . . . 1.92 109.078 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.501 HG13 ' O ' ' A' ' 3' ' ' THR . 19.8 mt -63.0 -58.49 7.36 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.045 0 N-CA-C 108.393 -0.966 . . . . 0.29 108.393 179.395 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.469 HG21 HD11 ' A' ' 28' ' ' LEU . 57.4 t -54.53 -38.71 42.79 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.272 0 CA-C-N 115.618 -0.719 . . . . 0.32 111.287 177.546 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.418 ' O ' ' HG2' ' A' ' 13' ' ' GLU . . . -66.88 -41.74 86.73 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.606 0.241 . . . . 0.32 110.857 178.36 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.12 -41.4 99.75 Favored Glycine 0 N--CA 1.445 -0.702 0 N-CA-C 110.592 -1.003 . . . . 0.31 110.592 176.446 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.5 ' O ' HG23 ' A' ' 15' ' ' VAL . 76.9 mt -61.22 -45.86 92.84 Favored 'General case' 0 N--CA 1.436 -1.153 0 C-N-CA 123.127 0.571 . . . . 0.29 110.154 175.554 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.429 ' HB1' HG13 ' A' ' 23' ' ' VAL . . . -56.79 -41.58 77.95 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 123.894 0.878 . . . . 0.24 111.823 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.418 ' HG2' ' O ' ' A' ' 9' ' ' ALA . 7.8 mm-40 -53.94 -51.21 64.52 Favored 'General case' 0 N--CA 1.488 1.464 0 CA-C-O 122.132 0.968 . . . . 1.46 109.401 175.746 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 95.9 mt -63.42 -50.08 80.1 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.935 0 CA-C-N 113.38 -1.736 . . . . 0.41 110.674 -177.19 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 11' ' ' LEU . 90.6 t -58.25 -47.11 88.37 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.682 0 CA-C-N 115.959 -0.564 . . . . 0.29 110.481 178.799 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -64.71 -33.13 75.23 Favored 'General case' 0 C--N 1.302 -1.497 0 CA-C-O 121.085 0.469 . . . . 0.64 111.344 -177.382 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -69.87 -57.59 4.88 Favored 'General case' 0 C--N 1.304 -1.403 0 CA-C-N 115.593 -0.731 . . . . 2.0 110.719 177.521 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.734 HG22 ' HB3' ' A' ' 42' ' ' SER . 59.6 mt -82.95 -53.39 11.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.808 -0.633 . . . . 0.28 111.817 -171.292 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.699 ' HB2' HG13 ' A' ' 38' ' ' VAL . . . -75.94 -37.41 58.69 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.051 0.453 . . . . 0.34 110.278 -178.384 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 87.29 18.24 57.65 Favored Glycine 0 C--O 1.226 -0.392 0 N-CA-C 111.446 -0.662 . . . . 0.46 111.446 -178.583 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.437 ' HA ' ' HD2' ' A' ' 22' ' ' PRO . 51.4 mm -98.72 134.36 21.7 Favored Pre-proline 0 C--N 1.313 -1.009 0 N-CA-C 109.842 -0.429 . . . . 0.42 109.842 -177.024 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.437 ' HD2' ' HA ' ' A' ' 21' ' ' ILE . 20.1 Cg_exo -28.74 123.64 0.05 OUTLIER 'Trans proline' 0 C--N 1.371 1.756 1 C-N-CA 126.087 4.524 . . . . 0.41 115.108 174.775 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.475 ' O ' ' HB ' ' A' ' 26' ' ' VAL . 71.3 t -50.95 -47.69 29.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 113.87 -1.514 . . . . 0.69 108.828 176.85 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -79.67 -3.7 48.43 Favored 'General case' 0 N--CA 1.418 -2.026 0 N-CA-C 114.322 1.23 . . . . 2.34 114.322 -176.366 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.629 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 26.3 t70 -87.79 -16.45 34.11 Favored 'General case' 0 N--CA 1.437 -1.106 0 C-N-CA 118.088 -1.445 . . . . 0.69 108.503 175.776 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.493 HG13 HG11 ' A' ' 69' ' ' VAL . 20.6 t -72.93 85.47 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.394 0 CA-C-O 122.965 1.364 . . . . 0.4 108.245 172.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.595 ' NZ ' ' HA ' ' A' ' 25' ' ' ASP . 54.2 mttp -97.03 -134.12 0.23 Allowed 'General case' 0 C--N 1.303 -1.438 0 CA-C-N 112.805 -1.998 . . . . 1.67 107.589 179.174 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.641 ' HA ' HG23 ' A' ' 69' ' ' VAL . 8.2 mp -124.78 -17.25 5.94 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 118.987 0.812 . . . . 1.08 112.647 174.05 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -88.45 -0.76 57.54 Favored 'General case' 0 N--CA 1.491 1.623 0 CA-C-O 123.256 1.503 . . . . 2.11 109.181 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.672 ' O ' HG22 ' A' ' 69' ' ' VAL . 71.9 mmtt -86.44 97.66 10.59 Favored 'General case' 0 C--N 1.289 -2.056 0 CA-C-N 113.744 -1.571 . . . . 1.02 113.293 -175.414 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.644 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 12.0 m -70.94 111.69 6.53 Favored 'General case' 0 N--CA 1.401 -2.913 0 N-CA-C 107.333 -1.358 . . . . 1.16 107.333 171.534 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.744 ' HA ' HD12 ' A' ' 36' ' ' LEU . 77.0 m-85 -29.59 -88.56 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 114.53 1.308 . . . . 0.36 114.53 177.154 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.599 HG23 ' HB ' ' A' ' 38' ' ' VAL . 0.8 OUTLIER -82.81 66.87 8.63 Favored 'General case' 0 C--N 1.298 -1.671 0 N-CA-C 113.031 0.752 . . . . 0.47 113.031 176.105 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.644 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 23.0 t70 -169.77 -59.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.223 -0.899 . . . . 0.73 110.682 178.359 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -101.65 -31.03 11.01 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 121.488 0.661 . . . . 1.46 109.971 -175.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.744 HD12 ' HA ' ' A' ' 32' ' ' PHE . 88.2 mt -83.52 -49.95 8.75 Favored 'General case' 0 CA--C 1.507 -0.682 0 N-CA-C 109.477 -0.564 . . . . 0.58 109.477 175.337 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.6 t70 78.5 92.24 0.06 Allowed 'General case' 0 CA--C 1.512 -0.488 0 C-N-CA 125.471 1.509 . . . . 1.14 110.235 -178.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.699 HG13 ' HB2' ' A' ' 19' ' ' ALA . 84.5 t -102.15 -94.72 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.308 -1.227 0 CA-C-N 114.214 -1.357 . . . . 1.79 110.091 -173.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.6 t70 174.88 -178.37 0.1 Allowed 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 104.421 -2.437 . . . . 0.79 104.421 -178.385 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.521 ' HA ' ' C38' ' A' ' 101' ' ' SHW . 24.3 t -98.54 -41.22 7.86 Favored 'General case' 0 C--N 1.267 -2.992 0 CA-C-O 121.469 0.652 . . . . 1.23 109.527 -174.407 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 83.8 mt -78.76 -31.55 46.23 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 108.835 -0.802 . . . . 1.02 108.835 -177.09 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.734 ' HB3' HG22 ' A' ' 18' ' ' ILE . 15.0 m -70.76 -29.46 65.69 Favored 'General case' 0 N--CA 1.422 -1.832 0 CA-C-N 114.312 -1.313 . . . . 1.02 109.795 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.498 ' HE2' ' HB2' ' A' ' 43' ' ' MET . 31.2 tpp -62.77 -43.01 99.92 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 115.663 -0.699 . . . . 0.55 111.509 -177.702 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.409 ' O ' HG23 ' A' ' 48' ' ' VAL . 47.7 t -70.78 -29.44 37.76 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.493 0 CA-C-N 115.614 -0.721 . . . . 0.56 109.859 -176.676 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -72.96 -35.72 66.99 Favored 'General case' 0 N--CA 1.439 -0.981 0 N-CA-C 109.7 -0.482 . . . . 2.08 109.7 177.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 42' ' ' SER . 93.3 t -59.27 -45.91 92.73 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 N-CA-C 109.25 -0.648 . . . . 0.52 109.25 176.702 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.429 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 59.9 t -55.81 -63.21 0.63 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 CA-C-N 115.817 -0.629 . . . . 0.38 109.354 176.308 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.627 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 87.4 t -49.48 -48.08 19.81 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.348 0 O-C-N 123.858 0.723 . . . . 0.58 112.277 179.105 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.01 -29.2 68.96 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 112.44 0.533 . . . . 0.42 112.44 -178.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.55 -37.91 83.39 Favored 'General case' 0 C--O 1.25 1.112 0 CA-C-O 120.707 0.289 . . . . 0.38 110.312 178.478 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.627 ' OE1' ' HA ' ' A' ' 48' ' ' VAL . 26.6 mt-10 -59.72 -48.56 81.21 Favored 'General case' 0 CA--C 1.518 -0.256 0 N-CA-C 107.918 -1.141 . . . . 1.36 107.918 177.439 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -64.3 -30.64 71.68 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-N 113.706 -1.588 . . . . 2.09 111.062 -178.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.425 ' HD2' ' HA ' ' A' ' 53' ' ' ARG . 20.2 tpt180 -80.73 -53.29 6.64 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-O 121.096 0.474 . . . . 2.75 110.738 -173.847 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.559 ' HB2' HG12 ' A' ' 56' ' ' VAL . 55.1 m-85 -93.39 -6.53 46.97 Favored 'General case' 0 C--N 1.3 -1.552 0 CA-C-N 115.865 -0.607 . . . . 0.73 112.561 -171.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.2 t70 70.74 16.48 6.74 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.834 1.253 . . . . 2.02 111.014 178.625 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.586 ' O ' ' HA ' ' A' ' 51' ' ' GLU . 3.7 p -107.72 116.12 50.44 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.527 0 N-CA-C 107.668 -1.234 . . . . 1.61 107.668 176.043 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.9 tmtm? -73.16 96.77 2.28 Favored 'General case' 0 C--N 1.293 -1.854 0 CA-C-N 115.281 -0.872 . . . . 1.67 109.345 -175.487 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.619 ' H ' ' HG2' ' A' ' 51' ' ' GLU . 19.2 mt -101.04 99.12 9.83 Favored Pre-proline 0 C--N 1.312 -1.024 0 N-CA-C 108.216 -1.031 . . . . 0.49 108.216 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -74.13 149.82 41.7 Favored 'Trans proline' 0 N--CA 1.445 -1.358 0 C-N-CA 121.636 1.558 . . . . 0.62 111.091 -178.349 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.517 ' HA ' ' CG1' ' A' ' 63' ' ' VAL . 4.6 p-10 -59.92 -14.61 16.45 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 122.992 0.517 . . . . 2.0 111.183 178.134 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.453 ' HA ' ' HE2' ' A' ' 64' ' ' LYS . 28.0 t70 -68.25 -56.84 7.24 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.048 -0.524 . . . . 2.09 111.518 174.262 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -83.87 -25.36 30.31 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-O 121.104 0.478 . . . . 1.58 110.839 -175.268 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.78 HG22 ' H5 ' ' A' ' 101' ' ' SHW . 1.4 p -57.35 -21.71 15.86 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.861 0 CA-C-N 115.768 -0.651 . . . . 0.69 111.363 -179.486 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.453 ' HE2' ' HA ' ' A' ' 61' ' ' ASP . 62.9 mttm -60.97 -13.16 14.28 Favored 'General case' 0 C--O 1.218 -0.591 0 C-N-CA 124.043 0.937 . . . . 2.44 112.853 -178.312 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 45.2 m-80 -91.28 -18.55 24.17 Favored 'General case' 0 CA--C 1.501 -0.912 0 N-CA-C 108.867 -0.79 . . . . 1.94 108.867 -179.377 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.789 HD13 ' HA ' ' A' ' 72' ' ' ALA . 14.1 mt -93.9 109.97 21.66 Favored 'General case' 0 N--CA 1.42 -1.972 0 N-CA-C 106.025 -1.843 . . . . 1.67 106.025 -179.516 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.78 -3.9 14.81 Favored 'General case' 0 C--N 1.28 -2.422 0 N-CA-C 113.539 0.94 . . . . 3.18 113.539 -178.481 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.605 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 81.3 p -129.44 176.13 8.21 Favored 'General case' 0 N--CA 1.432 -1.335 0 CA-C-O 121.397 0.618 . . . . 0.51 110.046 175.649 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.672 HG22 ' O ' ' A' ' 30' ' ' LYS . 2.2 m -66.71 -31.34 53.08 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.608 0 CA-C-N 114.243 -1.344 . . . . 0.35 110.098 171.41 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -73.8 -43.89 33.46 Favored Glycine 0 N--CA 1.431 -1.657 0 N-CA-C 110.495 -1.042 . . . . 0.3 110.495 178.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.545 ' HB3' ' HA ' ' A' ' 66' ' ' LEU . 10.6 m-20 -61.75 -41.87 98.23 Favored 'General case' 0 CA--C 1.5 -0.965 0 C-N-CA 122.169 0.188 . . . . 1.79 110.605 177.52 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.789 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -55.41 -59.77 4.34 Favored 'General case' 0 CA--C 1.517 -0.311 0 N-CA-C 108.973 -0.751 . . . . 0.29 108.973 176.58 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.477 ' HA ' HG21 ' A' ' 7' ' ' ILE . 91.6 m -48.71 -42.96 36.68 Favored 'General case' 0 C--O 1.192 -1.941 0 C-N-CA 124.011 0.924 . . . . 0.31 112.737 173.008 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -60.27 -33.19 71.97 Favored 'General case' 0 C--N 1.317 -0.83 0 C-N-CA 123.617 0.767 . . . . 2.93 111.068 -179.556 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.59 ' HB2' HD21 ' A' ' 66' ' ' LEU . 37.9 t80 -76.9 -54.85 6.05 Favored 'General case' 0 C--O 1.205 -1.241 0 N-CA-C 107.703 -1.221 . . . . 0.53 107.703 176.748 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.553 HG12 HD11 ' A' ' 58' ' ' ILE . 73.7 mt -56.56 -50.03 75.1 Favored 'Isoleucine or valine' 0 C--O 1.193 -1.918 0 C-N-CA 124.632 1.173 . . . . 0.27 111.373 -176.439 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 46.7 tp -53.5 -38.19 63.47 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.842 0.857 . . . . 1.15 111.349 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -87.08 -39.71 15.34 Favored 'General case' 0 C--N 1.293 -1.882 0 CA-C-N 114.511 -1.222 . . . . 0.67 111.446 -175.459 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 31.1 m-70 -90.62 5.33 48.41 Favored 'General case' 0 C--N 1.294 -1.808 0 CA-C-N 114.637 -1.165 . . . . 1.53 112.322 -175.571 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.481 ' HG3' ' HA ' ' A' ' 1' ' ' ALA . 10.7 mm100 -37.92 140.62 0.25 Allowed 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 125.326 1.45 . . . . 0.89 114.547 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.418 -2.074 0 N-CA-C 107.099 -1.445 . . . . 2.36 107.099 174.652 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 101' ' ' SHW . . . . . 0.78 ' H5 ' HG22 ' A' ' 63' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.478 ' HA ' ' HG3' ' A' ' 80' ' ' GLN . . . . . . . . 0 C--O 1.239 0.525 0 N-CA-C 109.468 -0.567 . . . . 2.05 109.468 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -149.76 139.37 21.63 Favored 'General case' 0 CA--C 1.486 -1.494 0 N-CA-C 107.372 -1.344 . . . . 1.02 107.372 176.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.555 ' O ' HG13 ' A' ' 7' ' ' ILE . 1.2 m -65.73 140.31 58.43 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 107.358 -1.349 . . . . 1.05 107.358 179.571 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.53 ' HA ' HD12 ' A' ' 7' ' ' ILE . 50.5 mt-30 -60.01 -29.85 68.75 Favored 'General case' 0 C--N 1.314 -0.955 0 N-CA-C 114.725 1.38 . . . . 1.25 114.725 -168.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -75.59 -37.48 59.82 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 108.077 -1.082 . . . . 2.3 108.077 -178.425 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.422 ' HB3' ' O ' ' A' ' 3' ' ' THR . 10.0 tp10 -62.71 -36.2 82.2 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 124.629 1.172 . . . . 1.92 108.667 175.259 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.555 HG13 ' O ' ' A' ' 3' ' ' THR . 46.8 mt -65.61 -57.5 10.57 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.471 0 N-CA-C 108.662 -0.866 . . . . 0.29 108.662 176.856 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.4 t -53.12 -39.06 31.98 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.957 0 CA-C-N 116.189 -0.459 . . . . 0.32 111.273 176.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.38 -38.45 84.75 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.182 0.515 . . . . 0.32 110.596 177.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.78 -35.12 91.54 Favored Glycine 0 C--O 1.206 -1.627 0 N-CA-C 110.476 -1.05 . . . . 0.31 110.476 178.135 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.486 ' O ' HG23 ' A' ' 15' ' ' VAL . 96.1 mt -68.31 -50.5 53.07 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 109.414 -0.587 . . . . 0.29 109.414 174.76 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -53.8 -43.39 69.28 Favored 'General case' 0 C--O 1.24 0.578 0 C-N-CA 124.166 0.986 . . . . 0.24 112.599 -177.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -64.73 -29.64 70.63 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-O 121.255 0.55 . . . . 1.46 111.923 -179.355 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.475 HD11 ' HB2' ' A' ' 53' ' ' ARG . 96.8 mt -80.04 -51.32 16.36 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.778 0 CA-C-N 115.688 -0.687 . . . . 0.41 109.197 179.461 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 11' ' ' LEU . 87.6 t -54.02 -43.97 60.71 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.443 0 CA-C-N 115.195 -0.911 . . . . 0.29 110.748 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.404 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 59.4 t30 -59.71 -34.2 72.6 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-O 120.735 0.302 . . . . 0.64 111.055 -179.391 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -83.1 -45.93 13.39 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 112.387 0.514 . . . . 2.0 112.387 -176.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.644 HG21 ' HB2' ' A' ' 45' ' ' GLU . 79.5 mt -88.54 -53.82 8.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 CA-C-O 121.338 0.59 . . . . 0.28 111.727 -175.041 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.656 ' HB1' HG11 ' A' ' 38' ' ' VAL . . . -74.83 -38.74 61.94 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-N 115.834 -0.621 . . . . 0.34 109.577 -177.718 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.33 36.28 11.05 Favored Glycine 0 N--CA 1.438 -1.208 0 N-CA-C 110.351 -1.1 . . . . 0.46 110.351 -178.442 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.675 HG21 HD22 ' A' ' 36' ' ' LEU . 46.8 mm -117.1 128.43 26.03 Favored Pre-proline 0 C--N 1.307 -1.249 0 N-CA-C 107.538 -1.282 . . . . 0.42 107.538 178.777 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.425 ' HD2' ' HA ' ' A' ' 21' ' ' ILE . 3.8 Cg_exo -34.36 127.93 0.19 Allowed 'Trans proline' 0 C--N 1.351 0.678 1 C-N-CA 125.609 4.206 . . . . 0.41 115.161 176.504 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 91.5 t -53.14 -39.19 32.67 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 CA-C-N 114.541 -1.209 . . . . 0.69 108.164 174.594 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -79.73 -16.85 54.85 Favored 'General case' 0 C--N 1.29 -2.015 0 CA-C-N 113.583 -1.644 . . . . 2.34 112.726 -173.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.424 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 28.0 t70 -90.09 -14.76 33.09 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 108.303 -0.999 . . . . 0.69 108.303 -179.709 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.537 HG13 HG11 ' A' ' 69' ' ' VAL . 48.6 t -82.81 77.93 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.288 0 CA-C-O 122.851 1.31 . . . . 0.4 109.407 177.681 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.576 ' O ' HG21 ' A' ' 69' ' ' VAL . 15.6 pttt -110.13 170.52 8.02 Favored 'General case' 0 N--CA 1.422 -1.848 0 CA-C-N 113.484 -1.689 . . . . 1.67 108.389 175.549 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.666 ' HA ' HG23 ' A' ' 69' ' ' VAL . 5.3 tt -73.71 4.34 5.23 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 114.945 1.461 . . . . 1.08 114.945 -163.666 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -99.95 -0.43 39.43 Favored 'General case' 0 C--N 1.286 -2.192 0 O-C-N 121.436 -0.79 . . . . 2.11 110.146 175.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.547 ' O ' HG22 ' A' ' 69' ' ' VAL . 74.9 mmtt -89.6 117.86 28.8 Favored 'General case' 0 N--CA 1.419 -1.982 0 N-CA-C 113.727 1.01 . . . . 1.02 113.727 -173.23 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.686 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 30.6 t -88.09 113.07 23.36 Favored 'General case' 0 N--CA 1.401 -2.895 0 N-CA-C 105.054 -2.202 . . . . 1.16 105.054 168.445 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.663 ' HA ' HD12 ' A' ' 36' ' ' LEU . 58.3 m-85 -29.55 -92.22 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 115.396 1.628 . . . . 0.36 115.396 178.029 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.811 ' HB ' H38A ' A' ' 101' ' ' SHW . 0.0 OUTLIER -81.39 45.97 0.91 Allowed 'General case' 0 C--N 1.281 -2.408 0 N-CA-C 114.409 1.263 . . . . 0.47 114.409 178.456 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -147.53 -57.72 0.25 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.119 -0.491 . . . . 0.73 111.029 177.147 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -91.49 -45.03 8.75 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.296 -0.631 . . . . 1.46 109.296 -177.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.675 HD22 HG21 ' A' ' 21' ' ' ILE . 90.4 mt -70.2 -49.53 49.33 Favored 'General case' 0 CA--C 1.509 -0.597 0 N-CA-C 106.88 -1.526 . . . . 0.58 106.88 174.445 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.4 t70 69.05 80.68 0.19 Allowed 'General case' 0 CA--C 1.505 -0.776 0 CA-C-N 113.86 -1.518 . . . . 1.14 111.199 172.311 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.656 HG11 ' HB1' ' A' ' 19' ' ' ALA . 3.9 p -117.61 -102.53 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.414 -2.235 0 C-N-CA 119.525 -0.87 . . . . 1.79 112.967 178.796 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.643 ' H ' HG13 ' A' ' 38' ' ' VAL . 15.0 t70 -141.32 169.51 17.48 Favored 'General case' 0 C--N 1.293 -1.886 0 N-CA-C 106.701 -1.592 . . . . 0.79 106.701 -175.325 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.454 ' O ' HG23 ' A' ' 44' ' ' VAL . 34.4 p -111.05 -42.23 4.02 Favored 'General case' 0 C--N 1.27 -2.889 0 O-C-N 123.712 0.633 . . . . 1.23 110.55 -170.424 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 90.2 mt -66.59 -30.84 71.22 Favored 'General case' 0 C--N 1.315 -0.916 0 N-CA-C 108.012 -1.107 . . . . 1.02 108.012 174.172 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.594 ' HB2' ' HB3' ' A' ' 39' ' ' ASP . 20.3 m -75.9 -30.38 58.78 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-N 115.139 -0.937 . . . . 1.02 109.315 175.352 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.515 ' O ' HG23 ' A' ' 47' ' ' VAL . 32.2 tpp -64.54 -37.3 87.07 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.734 -0.666 . . . . 0.55 110.118 -179.795 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.468 ' O ' ' HB ' ' A' ' 47' ' ' VAL . 43.6 t -64.56 -34.9 72.72 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 CA-C-N 115.939 -0.573 . . . . 0.56 110.329 179.269 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.644 ' HB2' HG21 ' A' ' 18' ' ' ILE . 25.4 mm-40 -69.21 -35.62 76.41 Favored 'General case' 0 N--CA 1.443 -0.821 0 N-CA-C 109.12 -0.696 . . . . 2.08 109.12 179.028 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 90.4 t -60.44 -46.67 94.89 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.501 0 N-CA-C 108.672 -0.862 . . . . 0.52 108.672 175.47 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.57 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 85.7 t -52.24 -64.02 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 O-C-N 123.914 0.759 . . . . 0.38 109.424 175.136 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 85.4 t -49.23 -45.8 18.09 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.249 0 C-N-CA 123.688 0.795 . . . . 0.58 112.031 179.124 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.1 -33.32 71.72 Favored 'General case' 0 C--N 1.321 -0.658 0 O-C-N 122.04 -0.412 . . . . 0.42 111.97 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.5 -38.35 89.46 Favored 'General case' 0 CA--C 1.506 -0.734 0 N-CA-C 109.078 -0.712 . . . . 0.38 109.078 176.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.57 ' HG3' ' O ' ' A' ' 47' ' ' VAL . 35.3 mt-10 -58.1 -41.9 84.54 Favored 'General case' 0 C--O 1.213 -0.851 0 CA-C-N 115.163 -0.926 . . . . 1.36 110.15 175.525 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -69.75 -42.37 73.99 Favored 'General case' 0 C--N 1.312 -1.042 0 C-N-CA 123.837 0.855 . . . . 2.09 111.455 177.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.475 ' HB2' HD11 ' A' ' 14' ' ' ILE . 2.3 tpm_? -66.25 -36.63 83.51 Favored 'General case' 0 C--N 1.311 -1.065 0 C-N-CA 124.512 1.125 . . . . 2.75 110.584 -172.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.504 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 43.5 m-85 -112.38 -8.51 13.9 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 113.22 0.822 . . . . 0.73 113.22 -174.62 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 66.39 8.0 5.38 Favored 'General case' 0 N--CA 1.504 2.262 0 C-N-CA 124.252 1.021 . . . . 2.02 111.552 -177.75 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.49 HG12 ' HB2' ' A' ' 54' ' ' PHE . 5.7 p -68.19 -45.84 82.28 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.39 0 C-N-CA 124.484 1.114 . . . . 1.61 113.584 -173.851 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.4 ' HD2' ' HB3' ' A' ' 51' ' ' GLU . 4.5 mmmp? 68.16 112.12 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.813 0 CA-C-O 122.119 0.961 . . . . 1.67 110.961 -171.794 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.614 HD11 HG12 ' A' ' 76' ' ' ILE . 40.6 mt -136.01 93.89 14.92 Favored Pre-proline 0 C--N 1.288 -2.078 0 N-CA-C 105.27 -2.122 . . . . 0.49 105.27 -177.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_endo -60.41 136.08 65.5 Favored 'Trans proline' 0 N--CA 1.452 -0.916 0 C-N-CA 122.012 1.808 . . . . 0.62 111.962 -175.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.557 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 25.8 t70 -40.89 -31.64 0.18 Allowed 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 124.803 1.241 . . . . 2.0 113.279 175.664 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -60.52 -56.79 17.16 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.783 0.801 . . . . 2.09 110.194 177.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -86.43 -20.63 27.89 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.14 -0.936 . . . . 1.58 111.54 -171.573 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.519 HG12 ' O ' ' A' ' 60' ' ' ASP . 3.8 p -63.81 -22.66 31.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.935 -0.575 . . . . 0.69 110.717 179.489 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.557 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 64.5 mttm -62.89 -19.7 64.43 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.845 -0.616 . . . . 2.44 112.12 -177.177 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 -82.38 -17.65 44.78 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.115 -0.493 . . . . 1.94 111.504 -178.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.717 HD13 ' HA ' ' A' ' 72' ' ' ALA . 69.1 mt -65.14 -66.38 0.55 Allowed 'General case' 0 N--CA 1.467 0.38 0 O-C-N 123.365 0.416 . . . . 1.67 111.758 -175.031 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt 73.3 -48.59 0.68 Allowed 'General case' 0 N--CA 1.491 1.59 0 C-N-CA 124.817 1.247 . . . . 3.18 112.889 178.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.686 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 35.0 p -107.46 162.2 14.15 Favored 'General case' 0 C--N 1.294 -1.806 0 CA-C-O 121.31 0.576 . . . . 0.51 112.155 -177.122 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.666 HG23 ' HA ' ' A' ' 28' ' ' LEU . 6.5 m -64.83 -37.6 80.6 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.284 0 CA-C-N 114.597 -1.183 . . . . 0.35 109.597 172.627 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.443 ' CA ' ' HG ' ' A' ' 28' ' ' LEU . . . -64.32 -46.62 90.18 Favored Glycine 0 N--CA 1.435 -1.371 0 CA-C-N 115.411 -0.813 . . . . 0.3 112.464 178.387 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.468 ' OD1' ' HA ' ' A' ' 66' ' ' LEU . 10.5 t70 -68.54 -35.59 77.65 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.646 -0.501 . . . . 1.79 109.646 -179.516 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.717 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -57.74 -59.33 5.37 Favored 'General case' 0 C--O 1.218 -0.561 0 N-CA-C 109.061 -0.718 . . . . 0.29 109.061 174.728 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.461 ' HA ' HG21 ' A' ' 7' ' ' ILE . 63.3 m -48.25 -46.58 35.77 Favored 'General case' 0 C--O 1.199 -1.584 0 C-N-CA 123.962 0.905 . . . . 0.31 112.249 172.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -61.15 -29.49 69.82 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-O 121.21 0.529 . . . . 2.93 111.849 178.77 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -77.22 -51.04 11.61 Favored 'General case' 0 C--N 1.31 -1.134 0 N-CA-C 107.115 -1.439 . . . . 0.53 107.115 177.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.614 HG12 HD11 ' A' ' 58' ' ' ILE . 72.4 mt -60.31 -51.27 74.96 Favored 'Isoleucine or valine' 0 C--O 1.187 -2.203 0 C-N-CA 124.54 1.136 . . . . 0.27 111.236 -178.455 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 31.0 tp -54.9 -35.74 64.44 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.015 0.526 . . . . 1.15 111.599 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -88.54 -28.25 20.89 Favored 'General case' 0 C--N 1.298 -1.669 0 CA-C-O 122.007 0.908 . . . . 0.67 111.385 -177.558 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 33.6 m-70 -99.18 5.75 46.66 Favored 'General case' 0 C--N 1.304 -1.403 0 CA-C-N 115.018 -0.992 . . . . 1.53 112.916 -177.435 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.478 ' HG3' ' HA ' ' A' ' 1' ' ' ALA . 10.9 mm100 -39.06 139.41 0.48 Allowed 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 124.916 1.286 . . . . 0.89 113.311 178.257 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.431 -1.419 0 CA-C-N 115.29 -0.868 . . . . 2.36 109.182 178.139 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 101' ' ' SHW . . . . . 0.811 H38A ' HB ' ' A' ' 33' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.515 -0.394 0 N-CA-C 108.132 -1.062 . . . . 2.05 108.132 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -146.58 152.15 38.47 Favored 'General case' 0 CA--C 1.483 -1.622 0 N-CA-C 109.137 -0.69 . . . . 1.02 109.137 -177.341 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.579 ' O ' HG13 ' A' ' 7' ' ' ILE . 35.8 p -63.88 142.62 58.34 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 124.072 0.857 . . . . 1.05 109.466 178.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.508 ' HA ' HD12 ' A' ' 7' ' ' ILE . 23.7 mt-30 -60.62 -26.19 66.83 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 112.848 0.684 . . . . 1.25 112.848 -174.593 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -67.72 -38.9 84.23 Favored 'General case' 0 C--N 1.307 -1.263 0 N-CA-C 109.407 -0.59 . . . . 2.3 109.407 176.165 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -71.52 -34.04 69.72 Favored 'General case' 0 N--CA 1.435 -1.209 0 N-CA-C 108.383 -0.969 . . . . 1.92 108.383 -178.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.637 HG21 ' HA ' ' A' ' 73' ' ' THR . 36.9 mt -63.46 -55.97 19.82 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.992 0 CA-C-N 114.899 -1.046 . . . . 0.29 108.926 177.072 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 70.5 t -55.53 -38.15 48.39 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.9 0 CA-C-N 116.296 -0.411 . . . . 0.32 110.93 176.508 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.34 -42.96 98.97 Favored 'General case' 0 C--O 1.242 0.692 0 CA-C-O 121.064 0.459 . . . . 0.32 110.037 177.542 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.4 -37.11 94.31 Favored Glycine 0 C--O 1.217 -0.909 0 CA-C-N 115.463 -0.79 . . . . 0.31 111.347 176.651 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.482 ' O ' HG23 ' A' ' 15' ' ' VAL . 70.5 mt -64.48 -49.82 69.9 Favored 'General case' 0 N--CA 1.434 -1.256 0 N-CA-C 109.985 -0.376 . . . . 0.29 109.985 175.676 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.404 ' HB1' HG13 ' A' ' 23' ' ' VAL . . . -54.13 -43.29 70.38 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 123.677 0.791 . . . . 0.24 111.952 -179.275 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -64.52 -43.21 94.76 Favored 'General case' 0 C--O 1.239 0.509 0 N-CA-C 112.779 0.659 . . . . 1.46 112.779 179.051 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.541 HD11 ' HG2' ' A' ' 53' ' ' ARG . 96.4 mt -65.31 -46.93 89.05 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.194 0 CA-C-O 121.399 0.619 . . . . 0.41 110.392 179.066 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.648 HG12 ' HB ' ' A' ' 21' ' ' ILE . 98.9 t -58.74 -36.73 62.0 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 CA-C-N 115.436 -0.802 . . . . 0.29 110.919 -179.75 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -66.08 -34.27 77.7 Favored 'General case' 0 C--N 1.305 -1.334 0 C-N-CA 120.258 -0.577 . . . . 0.64 111.275 179.432 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -77.37 -50.32 13.02 Favored 'General case' 0 C--N 1.307 -1.241 0 CA-C-N 116.142 -0.481 . . . . 2.0 111.286 -179.098 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.536 HG21 ' HB2' ' A' ' 45' ' ' GLU . 80.6 mt -86.39 -53.5 10.19 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 N-CA-C 112.556 0.576 . . . . 0.28 112.556 -174.365 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.526 ' HB2' HG13 ' A' ' 38' ' ' VAL . . . -76.87 -32.27 57.38 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.239 0.542 . . . . 0.34 110.136 -177.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.22 31.06 29.23 Favored Glycine 0 CA--C 1.494 -1.221 0 N-CA-C 110.485 -1.046 . . . . 0.46 110.485 -178.35 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.648 ' HB ' HG12 ' A' ' 15' ' ' VAL . 46.9 mm -108.13 128.91 24.85 Favored Pre-proline 0 C--N 1.305 -1.359 0 CA-C-N 115.556 -0.322 . . . . 0.42 110.5 -176.079 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.441 ' HD2' ' HA ' ' A' ' 21' ' ' ILE . 16.3 Cg_exo -31.97 127.24 0.09 OUTLIER 'Trans proline' 0 N--CA 1.451 -1.029 1 C-N-CA 125.495 4.13 . . . . 0.41 114.035 172.201 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.404 HG13 ' HB1' ' A' ' 12' ' ' ALA . 84.1 t -57.74 -26.06 26.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 114.616 -1.175 . . . . 0.69 109.603 178.219 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -95.59 -8.92 33.63 Favored 'General case' 0 N--CA 1.426 -1.669 0 CA-C-N 115.454 -0.794 . . . . 2.34 112.421 -176.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.45 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 33.6 t70 -85.02 -26.58 26.96 Favored 'General case' 0 CA--C 1.504 -0.797 0 N-CA-C 106.981 -1.488 . . . . 0.69 106.981 177.045 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.535 HG13 HG11 ' A' ' 69' ' ' VAL . 73.5 t -73.4 84.79 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.716 0 CA-C-N 113.972 -1.467 . . . . 0.4 109.508 175.078 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.576 ' O ' HG21 ' A' ' 69' ' ' VAL . 87.4 mttt -95.01 -146.1 0.27 Allowed 'General case' 0 C--N 1.299 -1.629 0 CA-C-N 113.882 -1.508 . . . . 1.67 107.273 177.824 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.448 ' O ' HD23 ' A' ' 28' ' ' LEU . 6.0 tt -113.38 -18.46 12.02 Favored 'General case' 0 C--N 1.309 -1.183 0 CA-C-N 119.512 1.051 . . . . 1.08 111.772 -176.548 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -86.98 -7.08 58.5 Favored 'General case' 0 C--N 1.303 -1.455 0 CA-C-O 122.893 1.33 . . . . 2.11 109.474 178.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.652 ' O ' HG22 ' A' ' 69' ' ' VAL . 32.9 mmtm -76.45 100.09 5.11 Favored 'General case' 0 C--N 1.295 -1.799 0 CA-C-N 113.424 -1.716 . . . . 1.02 114.435 -172.261 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.668 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 8.0 m -73.6 110.42 7.87 Favored 'General case' 0 N--CA 1.399 -2.983 0 N-CA-C 106.808 -1.552 . . . . 1.16 106.808 170.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.847 ' HA ' HD12 ' A' ' 36' ' ' LEU . 95.1 m-85 -31.38 -80.9 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.674 1.19 . . . . 0.36 113.9 177.058 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.463 HG21 H38A ' A' ' 101' ' ' SHW . 0.2 OUTLIER -79.76 48.34 0.93 Allowed 'General case' 0 C--N 1.297 -1.698 0 N-CA-C 114.353 1.242 . . . . 0.47 114.353 -179.824 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.668 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 23.9 t70 -158.57 -61.72 0.08 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.803 -0.635 . . . . 0.73 110.981 178.714 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.462 ' HB3' ' HD3' ' A' ' 30' ' ' LYS . 1.8 t70 -94.74 -34.34 12.57 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 116.121 -0.491 . . . . 1.46 110.052 -175.235 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.847 HD12 ' HA ' ' A' ' 32' ' ' PHE . 91.6 mt -79.91 -42.59 23.79 Favored 'General case' 0 C--O 1.243 0.753 0 CA-C-N 116.132 -0.486 . . . . 0.58 110.398 178.086 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.1 t70 74.45 85.28 0.1 Allowed 'General case' 0 CA--C 1.505 -0.781 0 O-C-N 124.623 1.202 . . . . 1.14 110.303 -175.799 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.526 HG13 ' HB2' ' A' ' 19' ' ' ALA . 86.7 t -94.11 -93.6 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.299 -1.594 0 CA-C-N 114.171 -1.377 . . . . 1.79 108.53 -179.577 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.3 t70 170.93 176.04 0.06 Allowed 'General case' 0 CA--C 1.494 -1.197 0 N-CA-C 103.534 -2.765 . . . . 0.79 103.534 -178.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.7 t -92.46 -37.12 12.71 Favored 'General case' 0 C--N 1.266 -3.061 0 N-CA-C 109.155 -0.683 . . . . 1.23 109.155 -175.436 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 91.2 mt -82.59 -34.79 27.57 Favored 'General case' 0 C--N 1.306 -1.319 0 CA-C-N 115.747 -0.661 . . . . 1.02 109.543 -176.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.454 ' HB3' HG22 ' A' ' 18' ' ' ILE . 15.2 m -70.65 -23.48 62.52 Favored 'General case' 0 N--CA 1.436 -1.161 0 CA-C-N 114.978 -1.01 . . . . 1.02 109.608 -179.278 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.506 ' HB2' ' HE2' ' A' ' 43' ' ' MET . 24.0 tpp -61.31 -48.4 81.51 Favored 'General case' 0 N--CA 1.438 -1.065 0 CA-C-N 115.593 -0.73 . . . . 0.55 110.949 179.393 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.402 ' O ' HG23 ' A' ' 48' ' ' VAL . 57.7 t -67.86 -24.71 31.0 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.519 0 CA-C-N 115.449 -0.796 . . . . 0.56 110.762 -177.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.536 ' HB2' HG21 ' A' ' 18' ' ' ILE . 37.0 mt-10 -73.26 -36.63 66.4 Favored 'General case' 0 N--CA 1.431 -1.422 0 N-CA-C 108.575 -0.898 . . . . 2.08 108.575 178.763 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 42' ' ' SER . 85.4 t -61.32 -47.34 93.94 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.588 0 N-CA-C 108.5 -0.926 . . . . 0.52 108.5 174.512 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.584 HG13 HG21 ' A' ' 63' ' ' VAL . 97.9 t -52.85 -64.8 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 O-C-N 124.01 0.819 . . . . 0.38 109.886 177.767 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 44' ' ' VAL . 85.2 t -45.83 -52.74 2.6 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 C-N-CA 123.489 0.716 . . . . 0.58 112.286 175.389 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.02 -33.46 76.1 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 112.347 0.499 . . . . 0.42 112.347 -177.61 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.21 -36.7 84.93 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.903 0.383 . . . . 0.38 110.415 179.219 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.652 ' HG2' ' H ' ' A' ' 58' ' ' ILE . 32.6 mt-10 -61.94 -31.56 71.9 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-O 121.901 0.858 . . . . 1.36 110.272 179.715 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -82.59 -47.47 12.07 Favored 'General case' 0 C--N 1.302 -1.488 0 CA-C-N 114.736 -1.12 . . . . 2.09 109.913 -179.359 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.541 ' HG2' HD11 ' A' ' 14' ' ' ILE . 52.4 tpt85 -71.56 -34.3 69.86 Favored 'General case' 0 C--N 1.317 -0.816 0 C-N-CA 123.796 0.839 . . . . 2.75 112.328 -173.599 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.473 ' CD2' HG21 ' A' ' 76' ' ' ILE . 88.9 m-85 -100.31 -2.06 34.59 Favored 'General case' 0 C--N 1.298 -1.656 0 CA-C-N 115.975 -0.557 . . . . 0.73 111.428 -177.385 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 36.4 t70 69.51 -5.61 1.13 Allowed 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 123.971 0.908 . . . . 2.02 112.803 178.177 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.593 ' O ' ' HA ' ' A' ' 51' ' ' GLU . 8.1 p -106.61 126.31 62.43 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.88 0 O-C-N 121.885 -0.509 . . . . 1.61 110.699 -177.821 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.0 mmmp? -70.18 123.39 21.5 Favored 'General case' 0 C--N 1.307 -1.246 0 CA-C-N 115.61 -0.723 . . . . 1.67 110.086 178.067 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.694 HG22 HG23 ' A' ' 63' ' ' VAL . 47.3 mt -132.42 103.44 13.71 Favored Pre-proline 0 C--N 1.304 -1.382 0 N-CA-C 107.131 -1.433 . . . . 0.49 107.131 -178.414 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -81.73 156.12 18.29 Favored 'Trans proline' 0 N--CA 1.433 -2.066 0 C-N-CA 121.219 1.279 . . . . 0.62 112.133 -177.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.639 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 3.5 m-20 -35.59 -48.26 0.51 Allowed 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 125.075 1.35 . . . . 2.0 111.587 174.043 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -49.42 -53.84 20.6 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.927 0.891 . . . . 2.09 113.146 -178.701 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.433 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 21.1 m-20 -75.3 -33.48 61.2 Favored 'General case' 0 CA--C 1.49 -1.356 0 CA-C-O 120.98 0.419 . . . . 1.58 110.432 -178.049 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.694 HG23 HG22 ' A' ' 58' ' ' ILE . 2.2 t -55.47 -32.3 29.65 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.214 0 CA-C-N 115.204 -0.907 . . . . 0.69 111.272 176.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.639 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 95.5 mttt -68.38 -19.99 64.66 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.497 -0.774 . . . . 2.44 112.291 179.6 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 45.1 m-20 -94.45 -6.08 44.79 Favored 'General case' 0 C--N 1.309 -1.187 0 N-CA-C 109.01 -0.737 . . . . 1.94 109.01 -178.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.878 HD13 ' HA ' ' A' ' 72' ' ' ALA . 58.7 mt -92.19 -66.09 0.95 Allowed 'General case' 0 N--CA 1.43 -1.446 0 CA-C-N 115.565 -0.743 . . . . 1.67 109.721 -177.355 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 1.093 ' HA ' ' H3 ' ' A' ' 101' ' ' SHW 0.437 0.0 OUTLIER 54.76 -6.34 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 117.874 2.546 . . . . 3.18 117.874 -179.735 . . . . . . . . 4 4 . 1 . 014 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.616 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 61.5 p -128.82 170.69 13.06 Favored 'General case' 0 CA--C 1.493 -1.243 0 O-C-N 121.405 -0.81 . . . . 0.51 109.776 173.351 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.652 HG22 ' O ' ' A' ' 30' ' ' LYS . 2.2 m -65.45 -47.55 86.33 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.738 0 CA-C-N 114.498 -1.228 . . . . 0.35 110.349 172.115 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -62.19 -42.97 99.73 Favored Glycine 0 CA--C 1.498 -0.986 0 CA-C-N 116.198 -0.455 . . . . 0.3 112.368 -179.109 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.43 ' HB3' ' HA ' ' A' ' 66' ' ' LEU . 5.7 m-20 -68.32 -39.11 82.08 Favored 'General case' 0 CA--C 1.5 -0.952 0 CA-C-O 119.673 -0.204 . . . . 1.79 111.208 178.42 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.878 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -56.93 -55.13 38.54 Favored 'General case' 0 CA--C 1.51 -0.566 0 N-CA-C 108.354 -0.98 . . . . 0.29 108.354 175.726 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.637 ' HA ' HG21 ' A' ' 7' ' ' ILE . 91.4 m -48.32 -48.55 36.01 Favored 'General case' 0 N--CA 1.434 -1.23 0 C-N-CA 124.766 1.226 . . . . 0.31 112.536 173.266 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -61.45 -30.3 70.5 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 120.758 0.313 . . . . 2.93 111.64 -179.463 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.475 ' HB2' HD21 ' A' ' 66' ' ' LEU . 57.8 t80 -76.7 -44.71 32.42 Favored 'General case' 0 CA--C 1.492 -1.26 0 N-CA-C 107.52 -1.289 . . . . 0.53 107.52 177.085 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.575 HG12 HD11 ' A' ' 58' ' ' ILE . 84.7 mt -61.72 -49.92 82.35 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.717 0 CA-C-N 115.299 -0.864 . . . . 0.27 110.46 -178.727 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -55.93 -41.06 74.02 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-O 121.133 0.492 . . . . 1.15 110.998 179.106 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -81.09 -39.26 25.95 Favored 'General case' 0 C--N 1.299 -1.611 0 CA-C-N 115.586 -0.734 . . . . 0.67 112.715 -175.46 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -101.36 -3.45 28.77 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 115.011 1.486 . . . . 1.53 115.011 -172.389 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -80.9 -177.27 6.31 Favored 'General case' 0 CA--C 1.51 -0.578 0 C-N-CA 118.873 -1.131 . . . . 0.89 111.958 -174.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.406 -2.667 0 N-CA-C 107.681 -1.229 . . . . 2.36 107.681 177.889 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 101' ' ' SHW . . . . . 1.093 ' H3 ' ' HA ' ' A' ' 67' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.516 ' HA ' ' HG3' ' A' ' 80' ' ' GLN . . . . . . . . 0 CA--C 1.504 -0.808 0 N-CA-C 108.281 -1.007 . . . . 2.05 108.281 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -93.94 165.82 12.47 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 119.709 -0.796 . . . . 1.02 109.623 -178.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.501 ' O ' HG13 ' A' ' 7' ' ' ILE . 0.3 OUTLIER -75.89 118.45 18.69 Favored 'General case' 0 N--CA 1.413 -2.314 0 N-CA-C 106.667 -1.605 . . . . 1.05 106.667 173.593 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -49.75 -37.65 30.56 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.212 0.605 . . . . 1.25 111.811 -175.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -63.14 -36.49 83.78 Favored 'General case' 0 C--N 1.305 -1.363 0 C-N-CA 124.091 0.956 . . . . 2.3 109.871 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -73.12 -32.4 64.92 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.261 -0.644 . . . . 1.92 109.261 178.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.554 ' HB ' HG23 ' A' ' 73' ' ' THR . 20.5 mt -68.23 -52.72 35.0 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.251 0 N-CA-C 107.675 -1.232 . . . . 0.29 107.675 178.447 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 74.1 t -55.93 -44.5 78.24 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.178 0 CA-C-N 115.679 -0.691 . . . . 0.32 110.382 175.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.84 -34.85 78.85 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.145 0.498 . . . . 0.32 110.81 177.368 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.32 -44.38 90.77 Favored Glycine 0 C--O 1.211 -1.292 0 N-CA-C 110.151 -1.179 . . . . 0.31 110.151 177.048 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 95.7 mt -59.96 -45.26 93.25 Favored 'General case' 0 C--N 1.312 -1.058 0 N-CA-C 109.235 -0.654 . . . . 0.29 109.235 175.718 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.473 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -55.51 -45.39 77.09 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-N 115.356 -0.838 . . . . 0.24 111.922 178.775 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -69.61 -32.12 70.66 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.728 0.64 . . . . 1.46 112.728 -179.506 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.4 mt -67.57 -54.04 26.69 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.232 0 N-CA-C 108.388 -0.967 . . . . 0.41 108.388 175.253 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.644 HG12 ' HB ' ' A' ' 21' ' ' ILE . 71.5 t -58.72 -41.57 82.82 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.237 0 CA-C-N 114.909 -1.041 . . . . 0.29 111.225 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -63.96 -33.17 75.12 Favored 'General case' 0 C--N 1.301 -1.53 0 CA-C-O 120.957 0.408 . . . . 0.64 111.649 179.374 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -77.89 -50.73 11.66 Favored 'General case' 0 C--N 1.304 -1.382 0 CA-C-N 115.606 -0.725 . . . . 2.0 110.852 -179.16 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.709 HG21 ' HB2' ' A' ' 45' ' ' GLU . 61.4 mt -88.91 -53.76 8.94 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.053 0 N-CA-C 112.513 0.56 . . . . 0.28 112.513 -173.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.77 ' HB2' HG13 ' A' ' 38' ' ' VAL . . . -74.05 -37.51 64.26 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 121.541 0.686 . . . . 0.34 109.737 -178.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.39 25.37 28.52 Favored Glycine 0 N--CA 1.447 -0.583 0 CA-C-N 114.966 -1.015 . . . . 0.46 110.828 -178.121 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.644 ' HB ' HG12 ' A' ' 15' ' ' VAL . 49.8 mm -99.93 130.93 25.29 Favored Pre-proline 0 C--N 1.311 -1.076 0 O-C-N 122.785 -0.244 . . . . 0.42 110.73 -176.517 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.505 ' HD2' ' HA ' ' A' ' 21' ' ' ILE . 7.5 Cg_exo -32.96 125.95 0.11 Allowed 'Trans proline' 0 C--N 1.358 1.052 1 C-N-CA 125.817 4.345 . . . . 0.41 114.627 173.692 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.473 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 85.9 t -57.82 -29.58 35.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 114.182 -1.372 . . . . 0.69 109.739 178.621 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -104.15 11.14 35.44 Favored 'General case' 0 N--CA 1.42 -1.93 0 N-CA-C 112.916 0.71 . . . . 2.34 112.916 -176.686 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.417 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 16.0 t70 -97.44 -26.38 14.87 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 105.441 -2.059 . . . . 0.69 105.441 170.042 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.563 HG13 HG11 ' A' ' 69' ' ' VAL . 58.4 t -74.03 87.1 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.962 0 CA-C-N 113.948 -1.478 . . . . 0.4 109.333 175.814 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.488 ' O ' HG21 ' A' ' 69' ' ' VAL . 94.4 mttt -98.25 -142.29 0.31 Allowed 'General case' 0 C--N 1.293 -1.871 0 CA-C-N 113.483 -1.689 . . . . 1.67 108.091 178.241 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.1 tt -116.16 -20.63 9.76 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-N 119.407 1.003 . . . . 1.08 111.504 -176.568 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -84.39 -11.99 55.27 Favored 'General case' 0 C--N 1.302 -1.471 0 CA-C-O 122.344 1.068 . . . . 2.11 109.531 -179.228 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.714 ' O ' HG22 ' A' ' 69' ' ' VAL . 55.8 mmtt -73.71 120.04 18.76 Favored 'General case' 0 C--N 1.293 -1.885 0 CA-C-N 114.23 -1.35 . . . . 1.02 114.609 -170.349 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.413 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 23.7 m -79.96 109.48 14.44 Favored 'General case' 0 N--CA 1.399 -3.015 0 N-CA-C 107.493 -1.299 . . . . 1.16 107.493 170.839 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.853 ' HA ' HD12 ' A' ' 36' ' ' LEU . 45.5 m-85 -31.49 -89.27 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.701 0 C-N-CA 124.627 1.171 . . . . 0.36 114.085 175.217 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.498 HG23 ' HE2' ' A' ' 43' ' ' MET . 0.0 OUTLIER -75.91 58.73 1.18 Allowed 'General case' 0 C--N 1.29 -1.995 0 N-CA-C 113.171 0.804 . . . . 0.47 113.171 177.845 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.413 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 26.7 t70 -167.76 -64.61 0.03 OUTLIER 'General case' 0 C--O 1.217 -0.641 0 CA-C-N 116.037 -0.529 . . . . 0.73 111.447 177.711 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -88.77 -45.24 9.94 Favored 'General case' 0 CA--C 1.501 -0.911 0 N-CA-C 109.022 -0.733 . . . . 1.46 109.022 -176.133 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.853 HD12 ' HA ' ' A' ' 32' ' ' PHE . 94.1 mt -69.53 -47.79 62.61 Favored 'General case' 0 CA--C 1.504 -0.796 0 N-CA-C 107.483 -1.303 . . . . 0.58 107.483 175.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 38.8 t70 72.41 91.11 0.09 Allowed 'General case' 0 CA--C 1.506 -0.746 0 CA-C-N 113.666 -1.606 . . . . 1.14 110.655 178.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.77 HG13 ' HB2' ' A' ' 19' ' ' ALA . 95.9 t -93.87 -90.63 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.291 -1.964 0 CA-C-N 113.126 -1.852 . . . . 1.79 108.552 -174.222 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.532 ' HB3' ' CB ' ' A' ' 42' ' ' SER . 9.5 t70 171.07 172.08 0.08 Allowed 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 104.394 -2.447 . . . . 0.79 104.394 -179.74 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.451 ' HA ' H28A ' A' ' 101' ' ' SHW . 0.7 OUTLIER -82.49 -43.12 17.59 Favored 'General case' 0 C--N 1.258 -3.375 0 N-CA-C 108.258 -1.016 . . . . 1.23 108.258 -173.713 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 93.4 mt -86.8 -35.3 19.2 Favored 'General case' 0 C--N 1.301 -1.512 0 CA-C-N 114.029 -1.442 . . . . 1.02 110.368 -175.323 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.573 ' OG ' HG22 ' A' ' 18' ' ' ILE . 23.0 t -61.86 -31.23 71.48 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.662 -1.154 . . . . 1.02 108.66 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.5 ' O ' HG23 ' A' ' 47' ' ' VAL . 30.2 tpp -60.65 -39.74 89.46 Favored 'General case' 0 N--CA 1.436 -1.144 0 CA-C-N 114.768 -1.106 . . . . 0.55 111.749 178.821 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 38.7 t -70.96 -29.44 37.22 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-O 121.263 0.554 . . . . 0.56 109.754 -175.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.709 ' HB2' HG21 ' A' ' 18' ' ' ILE . 5.7 mm-40 -72.22 -40.74 67.55 Favored 'General case' 0 N--CA 1.427 -1.592 0 N-CA-C 107.704 -1.221 . . . . 2.08 107.704 178.1 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 42' ' ' SER . 92.4 t -56.37 -50.11 73.62 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-N 115.594 -0.73 . . . . 0.52 109.413 175.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 43' ' ' MET . 94.5 t -50.28 -63.53 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 O-C-N 123.911 0.757 . . . . 0.38 109.756 176.337 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 97.1 t -51.97 -47.11 42.24 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.403 0 CA-C-N 115.899 -0.591 . . . . 0.58 112.54 178.516 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.36 -25.83 66.17 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.44 0.533 . . . . 0.42 112.44 -178.718 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.83 -35.14 79.38 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.093 0.473 . . . . 0.38 110.014 178.207 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.666 ' HG2' ' H ' ' A' ' 58' ' ' ILE . 31.3 mt-10 -65.77 -24.66 66.99 Favored 'General case' 0 C--O 1.213 -0.844 0 C-N-CA 123.664 0.786 . . . . 1.36 109.515 178.16 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -83.54 -48.67 10.02 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-O 121.321 0.582 . . . . 2.09 109.501 175.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.3 tpm_? -68.09 -34.12 75.81 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 123.763 0.825 . . . . 2.75 111.519 -172.523 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.481 ' CD2' HD13 ' A' ' 76' ' ' ILE . 38.8 m-85 -114.07 -3.52 13.28 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-N 115.912 -0.585 . . . . 0.73 112.006 -176.126 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.0 t70 72.3 -23.24 0.2 Allowed 'General case' 0 N--CA 1.506 2.338 0 C-N-CA 125.698 1.599 . . . . 2.02 112.269 -179.64 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.499 ' O ' ' HA ' ' A' ' 51' ' ' GLU . 4.8 p -75.66 122.23 29.12 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.114 0 CA-C-O 121.241 0.543 . . . . 1.61 110.32 -175.476 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.5 tptm -72.34 113.24 9.16 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 107.772 -1.196 . . . . 1.67 107.772 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.666 ' H ' ' HG2' ' A' ' 51' ' ' GLU . 37.9 mt -116.86 99.48 52.92 Favored Pre-proline 0 C--N 1.298 -1.671 0 N-CA-C 106.359 -1.719 . . . . 0.49 106.359 -178.2 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -69.5 133.86 27.09 Favored 'Trans proline' 0 N--CA 1.446 -1.298 0 C-N-CA 122.087 1.858 . . . . 0.62 113.555 -173.645 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.402 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 3.0 t70 -37.53 -33.25 0.07 Allowed 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 125.771 1.628 . . . . 2.0 113.956 172.529 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.497 ' HA ' ' HE2' ' A' ' 64' ' ' LYS . 27.3 t70 -75.12 -46.3 35.42 Favored 'General case' 0 C--N 1.296 -1.741 0 N-CA-C 112.109 0.411 . . . . 2.09 112.109 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -86.64 -21.79 26.53 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-O 121.716 0.77 . . . . 1.58 110.916 -174.19 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.528 HG13 ' S1 ' ' A' ' 101' ' ' SHW . 6.0 p -65.01 -21.49 29.58 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.871 0 CA-C-N 115.392 -0.822 . . . . 0.69 110.679 178.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.497 ' HE2' ' HA ' ' A' ' 61' ' ' ASP . 57.6 mttm -63.14 -9.97 13.01 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 115.503 -0.772 . . . . 2.44 112.916 -176.313 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -94.77 -4.09 47.92 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 120.571 0.224 . . . . 1.94 111.474 -179.065 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.843 HD13 ' HA ' ' A' ' 72' ' ' ALA . 72.8 mt -84.54 -69.96 0.61 Allowed 'General case' 0 C--O 1.217 -0.64 0 N-CA-C 112.07 0.396 . . . . 1.67 112.07 -175.554 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.589 ' H ' ' H3 ' ' A' ' 101' ' ' SHW 0.412 0.0 OUTLIER 62.41 -29.65 0.08 Allowed 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 117.0 2.222 . . . . 3.18 117.0 177.279 . . . . . . . . 4 4 . 1 . 015 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 65.9 p -110.2 166.17 11.17 Favored 'General case' 0 CA--C 1.485 -1.541 0 O-C-N 121.514 -0.741 . . . . 0.51 109.823 174.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.714 HG22 ' O ' ' A' ' 30' ' ' LYS . 4.0 m -68.2 -39.59 81.43 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.015 0 CA-C-N 114.708 -1.133 . . . . 0.35 109.799 173.849 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -62.41 -47.97 85.63 Favored Glycine 0 N--CA 1.438 -1.174 0 CA-C-N 116.031 -0.531 . . . . 0.3 112.101 177.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -65.7 -39.63 91.43 Favored 'General case' 0 CA--C 1.5 -0.947 0 CA-C-N 116.714 0.257 . . . . 1.79 111.359 179.037 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.843 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -56.72 -58.65 7.18 Favored 'General case' 0 CA--C 1.516 -0.336 0 N-CA-C 109.085 -0.709 . . . . 0.29 109.085 176.067 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.554 HG23 ' HB ' ' A' ' 7' ' ' ILE . 87.3 m -48.23 -51.5 25.24 Favored 'General case' 0 C--O 1.189 -2.103 0 C-N-CA 123.953 0.901 . . . . 0.31 111.881 173.21 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.427 ' HE2' ' HB3' ' A' ' 74' ' ' LYS . 3.9 tmmm? -54.24 -35.82 62.88 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 123.862 0.865 . . . . 2.93 111.788 179.302 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.423 ' HB2' HD21 ' A' ' 66' ' ' LEU . 37.3 t80 -71.53 -54.02 11.9 Favored 'General case' 0 C--O 1.199 -1.579 0 N-CA-C 107.789 -1.189 . . . . 0.53 107.789 178.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.503 HG12 HD11 ' A' ' 58' ' ' ILE . 71.0 mt -57.96 -48.94 82.84 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.282 0 C-N-CA 124.566 1.146 . . . . 0.27 110.823 -179.145 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 55.0 tp -51.0 -40.11 57.31 Favored 'General case' 0 C--N 1.307 -1.277 0 C-N-CA 124.388 1.075 . . . . 1.15 111.386 178.232 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -88.23 -41.78 12.71 Favored 'General case' 0 C--N 1.303 -1.438 0 CA-C-O 121.697 0.761 . . . . 0.67 111.508 -177.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 62.7 m-70 -84.36 5.68 26.06 Favored 'General case' 0 C--N 1.296 -1.745 0 CA-C-N 114.526 -1.215 . . . . 1.53 113.75 -173.723 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.516 ' HG3' ' HA ' ' A' ' 1' ' ' ALA . 34.2 mm-40 -37.32 126.5 1.03 Allowed 'General case' 0 N--CA 1.491 1.596 0 C-N-CA 123.929 0.892 . . . . 0.89 111.084 174.317 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.299 -1.607 0 N-CA-C 108.048 -1.093 . . . . 2.36 108.048 179.482 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 101' ' ' SHW . . . . . 0.589 ' H3 ' ' H ' ' A' ' 67' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.442 ' HA ' ' HG3' ' A' ' 80' ' ' GLN . . . . . . . . 0 CA--C 1.506 -0.732 0 N-CA-C 108.74 -0.837 . . . . 2.05 108.74 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -126.84 154.4 44.39 Favored 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 107.733 -1.21 . . . . 1.02 107.733 177.762 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.606 ' O ' HG13 ' A' ' 7' ' ' ILE . 0.3 OUTLIER -67.55 125.87 27.52 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 107.527 -1.286 . . . . 1.05 107.527 -178.574 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.49 ' O ' HG23 ' A' ' 8' ' ' VAL . 69.8 mt-30 -54.7 -40.19 68.94 Favored 'General case' 0 C--O 1.214 -0.78 0 N-CA-C 112.962 0.727 . . . . 1.25 112.962 -169.807 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -82.15 -23.43 35.6 Favored 'General case' 0 C--N 1.287 -2.115 0 CA-C-O 121.157 0.504 . . . . 2.3 110.8 -175.47 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.518 ' HB3' ' O ' ' A' ' 3' ' ' THR . 36.0 tt0 -67.2 -35.72 80.21 Favored 'General case' 0 C--N 1.31 -1.137 0 N-CA-C 107.658 -1.238 . . . . 1.92 107.658 172.801 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.606 HG13 ' O ' ' A' ' 3' ' ' THR . 26.2 mt -68.13 -52.81 34.47 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.077 0 N-CA-C 107.717 -1.216 . . . . 0.29 107.717 174.429 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.772 HG21 HD11 ' A' ' 28' ' ' LEU . 93.1 t -52.51 -41.57 36.83 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.851 0 C-N-CA 123.252 0.621 . . . . 0.32 111.521 177.734 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.36 -36.55 84.08 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.955 0.407 . . . . 0.32 110.224 177.608 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.84 -41.93 87.4 Favored Glycine 0 C--O 1.206 -1.595 0 N-CA-C 110.404 -1.078 . . . . 0.31 110.404 176.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.523 ' O ' HG23 ' A' ' 15' ' ' VAL . 85.1 mt -62.81 -49.07 76.41 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-O 120.59 0.233 . . . . 0.29 110.433 176.625 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.96 -44.75 67.36 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 124.189 0.996 . . . . 0.24 111.874 -178.441 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.495 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 16.8 pt-20 -66.57 -38.67 87.56 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 120.393 -0.523 . . . . 1.46 112.16 -179.449 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 90.3 mt -63.91 -47.32 91.14 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.959 0 C-N-CA 123.411 0.684 . . . . 0.41 109.415 176.772 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 11' ' ' LEU . 83.9 t -56.88 -36.33 49.62 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.793 0 CA-C-N 115.354 -0.839 . . . . 0.29 110.89 179.401 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -71.54 -29.91 65.29 Favored 'General case' 0 C--N 1.299 -1.617 0 CA-C-O 120.929 0.395 . . . . 0.64 111.37 -178.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.495 ' HG2' ' O ' ' A' ' 13' ' ' GLU . 68.8 mm-40 -76.93 -46.73 23.2 Favored 'General case' 0 N--CA 1.434 -1.257 0 CA-C-N 116.162 -0.472 . . . . 2.0 111.218 179.694 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.566 HG21 ' HB2' ' A' ' 45' ' ' GLU . 72.9 mt -90.84 -53.69 8.57 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.237 0 CA-C-N 115.631 -0.713 . . . . 0.28 112.334 -173.134 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.572 ' HB2' HG13 ' A' ' 38' ' ' VAL . . . -79.27 -39.88 31.91 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.261 0.553 . . . . 0.34 109.717 -178.009 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 92.97 20.43 33.5 Favored Glycine 0 N--CA 1.445 -0.701 0 CA-C-N 115.337 -0.847 . . . . 0.46 111.056 -178.247 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.523 ' HB ' HG12 ' A' ' 15' ' ' VAL . 49.0 mm -96.84 136.13 21.8 Favored Pre-proline 0 C--N 1.31 -1.114 0 N-CA-C 110.134 -0.321 . . . . 0.42 110.134 -176.308 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.489 ' HD2' ' HA ' ' A' ' 21' ' ' ILE . 2.8 Cg_exo -35.68 126.12 0.31 Allowed 'Trans proline' 0 C--N 1.357 1.009 0 C-N-CA 125.25 3.967 . . . . 0.41 114.214 174.022 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 92.4 t -63.02 -19.76 24.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 114.635 -1.166 . . . . 0.69 109.191 178.252 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -96.74 -8.1 32.17 Favored 'General case' 0 N--CA 1.418 -2.027 0 CA-C-N 114.581 -1.191 . . . . 2.34 111.934 -176.432 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.442 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 9.1 t70 -92.16 -18.12 23.94 Favored 'General case' 0 C--N 1.314 -0.949 0 N-CA-C 108.002 -1.11 . . . . 0.69 108.002 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.582 HG13 HG11 ' A' ' 69' ' ' VAL . 56.1 t -77.48 87.25 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.436 -1.174 0 CA-C-N 114.169 -1.378 . . . . 0.4 109.311 177.208 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -96.24 -136.98 0.24 Allowed 'General case' 0 C--N 1.298 -1.65 0 CA-C-N 113.578 -1.646 . . . . 1.67 107.209 177.496 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.772 HD11 HG21 ' A' ' 8' ' ' VAL . 7.7 mp -122.41 -13.66 8.0 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 119.144 0.883 . . . . 1.08 113.145 174.281 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -85.88 -12.61 50.24 Favored 'General case' 0 C--N 1.304 -1.377 0 CA-C-O 122.163 0.982 . . . . 2.11 109.678 -178.145 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.681 ' O ' HG22 ' A' ' 69' ' ' VAL . 61.7 mmtt -78.9 125.86 29.94 Favored 'General case' 0 C--N 1.3 -1.57 0 CA-C-N 113.967 -1.47 . . . . 1.02 112.396 -171.049 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.52 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 4.2 m -91.54 109.56 20.86 Favored 'General case' 0 N--CA 1.397 -3.125 0 N-CA-C 106.236 -1.764 . . . . 1.16 106.236 173.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.658 ' HA ' HD12 ' A' ' 36' ' ' LEU . 54.9 m-85 -28.06 -84.16 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 124.768 1.227 . . . . 0.36 114.191 178.692 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.704 HG23 ' HB ' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -81.86 67.14 7.73 Favored 'General case' 0 C--N 1.291 -1.971 0 N-CA-C 114.126 1.158 . . . . 0.47 114.126 177.132 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.487 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 22.1 t70 -175.03 -57.0 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.381 -0.827 . . . . 0.73 109.47 175.459 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -86.05 -41.15 15.05 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.215 -0.902 . . . . 1.46 110.887 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.658 HD12 ' HA ' ' A' ' 32' ' ' PHE . 89.6 mt -84.95 -50.05 7.82 Favored 'General case' 0 C--N 1.315 -0.916 0 N-CA-C 109.377 -0.601 . . . . 0.58 109.377 179.439 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.2 t70 82.08 90.08 0.04 OUTLIER 'General case' 0 CA--C 1.502 -0.866 0 C-N-CA 125.281 1.432 . . . . 1.14 111.318 -178.62 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.704 ' HB ' HG23 ' A' ' 33' ' ' THR . 63.8 t -104.39 -95.39 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.298 -1.639 0 CA-C-N 114.109 -1.405 . . . . 1.79 109.491 -176.086 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.415 ' O ' ' HB2' ' A' ' 43' ' ' MET . 11.8 t70 173.32 -177.77 0.07 Allowed 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 103.332 -2.84 . . . . 0.79 103.332 -178.129 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 41.3 t -93.23 -42.53 9.3 Favored 'General case' 0 C--N 1.278 -2.508 0 N-CA-C 108.365 -0.976 . . . . 1.23 108.365 -179.661 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 57.2 mt -78.44 -33.62 48.36 Favored 'General case' 0 N--CA 1.431 -1.386 0 CA-C-N 114.841 -1.072 . . . . 1.02 109.734 -174.614 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.503 ' HB2' HG12 ' A' ' 38' ' ' VAL . 15.7 m -72.69 -25.95 61.43 Favored 'General case' 0 N--CA 1.431 -1.401 0 CA-C-N 115.387 -0.824 . . . . 1.02 109.051 177.451 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.645 ' HE3' ' HB3' ' A' ' 32' ' ' PHE . 28.9 tpp -64.41 -48.31 75.87 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 115.746 -0.661 . . . . 0.55 110.596 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.423 ' O ' HG23 ' A' ' 48' ' ' VAL . 22.2 t -69.74 -23.7 26.14 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.182 0 CA-C-N 115.401 -0.818 . . . . 0.56 110.853 -176.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.566 ' HB2' HG21 ' A' ' 18' ' ' ILE . 22.0 mm-40 -69.13 -39.77 78.66 Favored 'General case' 0 N--CA 1.441 -0.918 0 N-CA-C 109.246 -0.65 . . . . 2.08 109.246 175.342 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 42' ' ' SER . 87.7 t -60.64 -44.85 97.81 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.572 0 N-CA-C 108.789 -0.819 . . . . 0.52 108.789 176.789 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.608 HG22 HG21 ' A' ' 63' ' ' VAL . 46.8 t -54.02 -63.53 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 O-C-N 123.932 0.77 . . . . 0.38 109.486 176.81 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.495 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 67.7 t -49.12 -51.68 12.49 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 O-C-N 123.621 0.576 . . . . 0.58 111.991 176.854 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.79 -33.71 76.29 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 112.332 0.493 . . . . 0.42 112.332 -178.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.41 -36.38 83.55 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-O 120.65 0.262 . . . . 0.38 110.701 178.499 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.495 ' OE1' ' HA ' ' A' ' 48' ' ' VAL . 40.7 mt-10 -60.31 -47.29 86.66 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 109.421 -0.585 . . . . 1.36 109.421 177.396 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -64.98 -38.38 90.78 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 114.847 -1.069 . . . . 2.09 110.523 179.726 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 39.2 tpt85 -74.62 -35.66 62.92 Favored 'General case' 0 C--N 1.312 -1.065 0 CA-C-N 115.391 -0.822 . . . . 2.75 111.662 -174.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.539 ' CD2' HD13 ' A' ' 76' ' ' ILE . 32.6 m-85 -107.29 2.41 24.56 Favored 'General case' 0 C--N 1.298 -1.663 0 N-CA-C 112.937 0.717 . . . . 0.73 112.937 -175.446 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.0 t70 66.11 22.24 11.12 Favored 'General case' 0 N--CA 1.482 1.157 0 CA-C-O 122.12 0.962 . . . . 2.02 110.28 178.16 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.505 HG22 ' HB2' ' A' ' 54' ' ' PHE . 31.4 m -108.73 -171.67 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 CA-C-N 115.615 -0.721 . . . . 1.61 111.381 -177.138 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.4 ' HD2' ' HA ' ' A' ' 57' ' ' LYS . 27.7 mmmt -132.83 125.95 31.19 Favored 'General case' 0 N--CA 1.437 -1.12 0 N-CA-C 108.239 -1.023 . . . . 1.67 108.239 174.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.554 HD11 HG12 ' A' ' 76' ' ' ILE . 42.1 mt -137.38 99.74 9.6 Favored Pre-proline 0 C--N 1.303 -1.413 0 N-CA-C 107.144 -1.428 . . . . 0.49 107.144 -177.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -72.67 138.11 28.64 Favored 'Trans proline' 0 C--N 1.318 -1.065 0 C-N-CA 121.977 1.785 . . . . 0.62 112.349 -178.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.461 ' HA ' ' CG1' ' A' ' 63' ' ' VAL . 5.6 p-10 -55.55 -18.59 7.73 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.31 1.044 . . . . 2.0 111.934 176.605 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -73.59 -46.24 48.36 Favored 'General case' 0 C--N 1.308 -1.21 0 C-N-CA 123.119 0.568 . . . . 2.09 111.433 176.229 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -86.7 -30.89 21.34 Favored 'General case' 0 CA--C 1.504 -0.801 0 CA-C-O 121.004 0.431 . . . . 1.58 110.995 -174.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.608 HG21 HG22 ' A' ' 47' ' ' VAL . 4.3 p -55.74 -22.18 12.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.025 -0.989 . . . . 0.69 111.862 -177.438 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.63 ' HA ' ' S1 ' ' A' ' 101' ' ' SHW . 66.7 mttm -60.9 -17.95 53.67 Favored 'General case' 0 N--CA 1.44 -0.971 0 CA-C-N 115.247 -0.888 . . . . 2.44 112.586 -178.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -92.08 -6.74 50.38 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.658 -0.246 . . . . 1.94 111.213 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.85 HD13 ' HA ' ' A' ' 72' ' ' ALA . 67.3 mt -77.38 -70.77 0.45 Allowed 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.715 -0.394 . . . . 1.67 110.547 -176.646 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.75 ' H ' ' H3 ' ' A' ' 101' ' ' SHW . 48.2 mtmt 74.99 -47.44 0.62 Allowed 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 124.617 1.167 . . . . 3.18 113.42 175.519 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.52 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 58.3 p -104.68 161.12 14.41 Favored 'General case' 0 N--CA 1.417 -2.108 0 CA-C-O 121.621 0.724 . . . . 0.51 111.971 -177.299 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.693 HG23 ' HA ' ' A' ' 28' ' ' LEU . 4.6 m -66.35 -31.44 53.64 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.989 0 CA-C-N 114.051 -1.431 . . . . 0.35 110.469 175.819 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -75.49 -40.73 31.92 Favored Glycine 0 N--CA 1.435 -1.383 0 CA-C-N 115.678 -0.692 . . . . 0.3 111.651 178.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.46 ' OD1' ' HA ' ' A' ' 66' ' ' LEU . 10.2 t70 -73.54 -34.3 65.13 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.666 -0.494 . . . . 1.79 109.666 -178.366 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.85 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -56.77 -57.91 10.41 Favored 'General case' 0 CA--C 1.515 -0.378 0 N-CA-C 109.234 -0.654 . . . . 0.29 109.234 175.108 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.543 HG23 ' HB ' ' A' ' 7' ' ' ILE . 97.7 m -47.95 -48.46 32.09 Favored 'General case' 0 C--O 1.2 -1.536 0 C-N-CA 123.794 0.838 . . . . 0.31 112.17 172.73 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 28.5 ttpp -56.25 -34.86 66.78 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.29 0.636 . . . . 2.93 111.949 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.437 ' O ' ' HB2' ' A' ' 79' ' ' HIS . 75.6 t80 -73.7 -41.34 62.73 Favored 'General case' 0 C--O 1.201 -1.486 0 N-CA-C 108.843 -0.799 . . . . 0.53 108.843 178.405 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.554 HG12 HD11 ' A' ' 58' ' ' ILE . 68.9 mt -68.41 -44.75 83.16 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.339 0 CA-C-N 115.837 -0.62 . . . . 0.27 109.483 -178.441 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.481 HD22 ' HG2' ' A' ' 4' ' ' GLN . 64.8 tp -54.01 -33.94 58.55 Favored 'General case' 0 C--N 1.316 -0.853 0 C-N-CA 124.408 1.083 . . . . 1.15 110.46 176.491 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -88.09 -40.73 13.56 Favored 'General case' 0 C--N 1.305 -1.369 0 CA-C-N 115.402 -0.817 . . . . 0.67 111.089 -178.526 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.437 ' HB2' ' O ' ' A' ' 75' ' ' TYR . 0.8 OUTLIER -87.06 5.2 38.78 Favored 'General case' 0 C--N 1.309 -1.161 0 N-CA-C 113.294 0.85 . . . . 1.53 113.294 -172.897 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.442 ' HG3' ' HA ' ' A' ' 1' ' ' ALA . 15.1 mm100 -40.07 128.92 2.23 Favored 'General case' 0 C--O 1.244 0.799 0 O-C-N 124.093 0.871 . . . . 0.89 111.454 174.506 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.362 0 O-C-N 123.939 0.774 . . . . 2.36 111.861 -175.841 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 101' ' ' SHW . . . . . 0.75 ' H3 ' ' H ' ' A' ' 67' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.417 ' HA ' ' HG3' ' A' ' 80' ' ' GLN . . . . . . . . 0 CA--C 1.508 -0.673 0 N-CA-C 108.216 -1.031 . . . . 2.05 108.216 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -125.28 -172.44 2.59 Favored 'General case' 0 N--CA 1.435 -1.196 0 N-CA-C 108.058 -1.089 . . . . 1.02 108.058 -175.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.435 ' O ' HG13 ' A' ' 7' ' ' ILE . 62.5 m -101.32 119.68 39.13 Favored 'General case' 0 N--CA 1.403 -2.8 0 N-CA-C 107.309 -1.367 . . . . 1.05 107.309 175.731 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -44.64 -37.27 3.53 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.87 1.268 . . . . 1.25 112.892 -177.487 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -63.07 -35.2 79.45 Favored 'General case' 0 C--N 1.31 -1.141 0 C-N-CA 123.931 0.892 . . . . 2.3 110.824 -177.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -80.27 -30.45 38.36 Favored 'General case' 0 N--CA 1.437 -1.123 0 CA-C-N 115.365 -0.834 . . . . 1.92 109.853 -179.334 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.67 ' HB ' HG23 ' A' ' 73' ' ' THR . 25.5 mt -69.17 -52.9 28.9 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.211 0 N-CA-C 107.996 -1.113 . . . . 0.29 107.996 178.711 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.849 HG21 HD11 ' A' ' 28' ' ' LEU . 93.3 t -58.08 -33.93 47.86 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-N 116.151 -0.477 . . . . 0.32 110.613 175.362 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.514 ' O ' ' HG2' ' A' ' 13' ' ' GLU . . . -65.81 -41.51 91.79 Favored 'General case' 0 N--CA 1.445 -0.685 0 N-CA-C 109.848 -0.427 . . . . 0.32 109.848 177.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.14 -43.7 89.23 Favored Glycine 0 CA--C 1.495 -1.194 0 N-CA-C 110.773 -0.931 . . . . 0.31 110.773 178.62 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.451 ' HA ' HD12 ' A' ' 14' ' ' ILE . 86.8 mt -59.36 -42.17 90.97 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.592 -0.304 . . . . 0.29 110.651 176.808 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.41 -39.07 78.75 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 123.141 0.577 . . . . 0.24 110.874 177.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.514 ' HG2' ' O ' ' A' ' 9' ' ' ALA . 24.8 mm-40 -61.83 -52.98 61.95 Favored 'General case' 0 CA--C 1.503 -0.831 0 CA-C-O 121.645 0.736 . . . . 1.46 109.634 176.607 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.451 HD12 ' HA ' ' A' ' 11' ' ' LEU . 93.4 mt -54.78 -52.16 45.0 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 CA-C-N 113.702 -1.59 . . . . 0.41 110.332 -179.305 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.532 HG12 ' HB ' ' A' ' 21' ' ' ILE . 91.7 t -62.58 -37.43 78.9 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.981 0 CA-C-N 115.62 -0.718 . . . . 0.29 111.45 179.605 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.468 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 4.0 t-20 -64.07 -39.36 93.9 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-O 121.277 0.56 . . . . 0.64 109.601 179.33 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -71.87 -63.95 1.03 Allowed 'General case' 0 C--N 1.303 -1.434 0 CA-C-N 114.771 -1.104 . . . . 2.0 111.474 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.465 HG22 ' HB3' ' A' ' 42' ' ' SER . 76.0 mt -77.45 -52.84 15.66 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.2 0 CA-C-N 115.845 -0.616 . . . . 0.28 112.353 -171.147 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.517 ' HB2' HG13 ' A' ' 38' ' ' VAL . . . -77.6 -29.11 51.76 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-O 120.726 0.298 . . . . 0.34 110.392 -177.181 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.61 39.76 33.94 Favored Glycine 0 N--CA 1.442 -0.929 0 N-CA-C 110.709 -0.956 . . . . 0.46 110.709 -177.449 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.532 ' HB ' HG12 ' A' ' 15' ' ' VAL . 51.4 mm -117.82 136.66 23.8 Favored Pre-proline 0 C--N 1.314 -0.973 0 N-CA-C 109.202 -0.666 . . . . 0.42 109.202 -178.274 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.477 ' HD2' ' HA ' ' A' ' 21' ' ' ILE . 2.9 Cg_exo -35.74 122.84 0.25 Allowed 'Trans proline' 0 C--N 1.352 0.759 1 C-N-CA 125.504 4.136 . . . . 0.41 114.932 175.335 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 83.3 t -52.77 -42.47 42.25 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.626 0 CA-C-N 114.132 -1.395 . . . . 0.69 108.135 175.242 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -75.69 -22.25 56.84 Favored 'General case' 0 C--N 1.292 -1.928 0 CA-C-N 113.523 -1.671 . . . . 2.34 113.476 -174.204 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -82.53 -15.8 51.01 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 119.581 -0.848 . . . . 0.69 109.435 -179.269 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.639 HG13 HG11 ' A' ' 69' ' ' VAL . 55.1 t -78.34 79.22 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.308 -1.23 0 C-N-CA 125.081 1.352 . . . . 0.4 110.312 179.773 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.517 ' O ' HG21 ' A' ' 69' ' ' VAL . 11.4 pttm -116.01 169.45 9.24 Favored 'General case' 0 N--CA 1.424 -1.733 0 CA-C-N 113.615 -1.629 . . . . 1.67 106.83 174.284 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.849 HD11 HG21 ' A' ' 8' ' ' VAL . 6.6 mp -74.01 9.85 1.41 Allowed 'General case' 0 N--CA 1.484 1.241 0 N-CA-C 116.281 1.956 . . . . 1.08 116.281 -165.017 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -97.9 -3.26 38.94 Favored 'General case' 0 C--N 1.286 -2.165 0 CA-C-O 122.488 1.137 . . . . 2.11 108.89 178.036 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.443 ' O ' HG22 ' A' ' 69' ' ' VAL . 69.6 mmtt -99.19 122.04 41.85 Favored 'General case' 0 N--CA 1.423 -1.81 0 CA-C-N 114.736 -1.12 . . . . 1.02 113.11 -170.676 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.688 ' HB3' ' HB3' ' A' ' 34' ' ' ASP . 37.1 t -95.29 116.21 28.46 Favored 'General case' 0 N--CA 1.416 -2.161 0 N-CA-C 105.459 -2.052 . . . . 1.16 105.459 169.339 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.71 ' HA ' HD12 ' A' ' 36' ' ' LEU . 87.6 m-85 -35.0 -76.77 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.902 1.281 . . . . 0.36 113.718 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.492 HG23 ' HB ' ' A' ' 38' ' ' VAL . 0.2 OUTLIER -84.76 48.41 1.54 Allowed 'General case' 0 C--N 1.307 -1.266 0 N-CA-C 113.074 0.768 . . . . 0.47 113.074 179.3 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.688 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 6.8 t70 -149.35 -52.97 0.16 Allowed 'General case' 0 C--N 1.307 -1.279 0 CA-C-N 115.645 -0.707 . . . . 0.73 110.732 179.534 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -104.56 -54.89 2.44 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-N 115.832 -0.622 . . . . 1.46 109.707 -176.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.71 HD12 ' HA ' ' A' ' 32' ' ' PHE . 82.9 mt -62.68 -47.55 83.16 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.242 -0.89 . . . . 0.58 109.249 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.5 t70 75.4 86.95 0.09 Allowed 'General case' 0 CA--C 1.502 -0.866 0 C-N-CA 126.152 1.781 . . . . 1.14 109.824 -179.061 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.517 HG13 ' HB2' ' A' ' 19' ' ' ALA . 88.7 t -80.9 -86.87 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.305 -1.363 0 CA-C-N 114.175 -1.375 . . . . 1.79 108.24 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.5 t70 170.18 174.18 0.06 Allowed 'General case' 0 CA--C 1.485 -1.537 0 N-CA-C 103.024 -2.954 . . . . 0.79 103.024 178.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.606 ' HA ' ' H37' ' A' ' 101' ' ' SHW . 3.1 t -90.04 -31.95 16.95 Favored 'General case' 0 C--N 1.248 -3.837 0 N-CA-C 108.173 -1.047 . . . . 1.23 108.173 -173.8 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 83.8 mt -87.02 -45.39 10.8 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 115.279 -0.873 . . . . 1.02 109.781 -179.132 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.465 ' HB3' HG22 ' A' ' 18' ' ' ILE . 13.5 m -64.24 -22.16 66.85 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 115.802 -0.636 . . . . 1.02 110.26 -176.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.533 ' O ' HG23 ' A' ' 47' ' ' VAL . 21.7 tpp -55.12 -43.05 73.75 Favored 'General case' 0 N--CA 1.44 -0.942 0 CA-C-N 115.026 -0.988 . . . . 0.55 110.666 175.767 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.427 ' O ' HG23 ' A' ' 48' ' ' VAL . 47.5 t -70.15 -26.07 28.84 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.19 0 CA-C-N 115.973 -0.558 . . . . 0.56 110.875 -175.425 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -81.96 -23.88 35.84 Favored 'General case' 0 N--CA 1.427 -1.604 0 C-N-CA 119.583 -0.847 . . . . 2.08 110.707 177.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 42' ' ' SER . 87.7 t -65.63 -40.69 88.71 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 N-CA-C 107.714 -1.217 . . . . 0.52 107.714 173.559 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.792 HG22 HG21 ' A' ' 63' ' ' VAL . 21.7 t -58.85 -61.65 1.33 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 N-CA-C 108.134 -1.062 . . . . 0.38 108.134 175.272 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 44' ' ' VAL . 84.2 t -49.38 -48.71 18.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 CA-C-N 115.843 -0.617 . . . . 0.58 112.322 177.115 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.58 -23.81 65.44 Favored 'General case' 0 C--O 1.212 -0.909 0 O-C-N 121.841 -0.537 . . . . 0.42 112.439 -178.663 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.37 -35.42 77.69 Favored 'General case' 0 C--O 1.24 0.561 0 N-CA-C 109.068 -0.716 . . . . 0.38 109.068 176.506 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.621 ' HG2' ' H ' ' A' ' 58' ' ' ILE . 35.5 mt-10 -65.92 -50.62 63.76 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 107.971 -1.122 . . . . 1.36 107.971 176.046 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -55.1 -37.94 67.5 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 114.096 -1.411 . . . . 2.09 111.051 -179.613 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.1 tpt180 -83.54 -52.57 6.37 Favored 'General case' 0 N--CA 1.429 -1.482 0 CA-C-N 115.582 -0.735 . . . . 2.75 111.557 -173.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.551 ' HB2' HG12 ' A' ' 56' ' ' VAL . 48.9 m-85 -95.53 -4.47 44.72 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 114.116 1.154 . . . . 0.73 114.116 -170.223 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 36.5 t70 77.59 -7.34 1.85 Allowed 'General case' 0 N--CA 1.5 2.031 0 C-N-CA 124.388 1.075 . . . . 2.02 111.257 177.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.551 HG12 ' HB2' ' A' ' 54' ' ' PHE . 11.7 p -76.52 164.71 3.42 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.162 0 CA-C-N 114.893 -1.048 . . . . 1.61 109.929 -179.641 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.438 ' HD2' ' OE2' ' A' ' 51' ' ' GLU . 24.0 tptm -110.73 105.88 14.9 Favored 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 108.627 -0.879 . . . . 1.67 108.627 178.19 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.707 HD11 HG12 ' A' ' 76' ' ' ILE . 21.9 mt -126.25 96.58 36.3 Favored Pre-proline 0 C--N 1.299 -1.622 0 N-CA-C 106.759 -1.571 . . . . 0.49 106.759 178.346 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.58 ' HD2' ' HB2' ' A' ' 62' ' ' ASP . 81.4 Cg_endo -86.68 165.94 8.95 Favored 'Trans proline' 0 N--CA 1.436 -1.874 0 C-N-CA 121.666 1.577 . . . . 0.62 110.939 177.393 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.483 ' O ' HG12 ' A' ' 63' ' ' VAL . 4.1 p-10 -51.81 -22.42 3.65 Favored 'General case' 0 C--N 1.319 -0.737 0 C-N-CA 124.394 1.078 . . . . 2.0 113.118 178.096 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.476 ' HA ' ' HE3' ' A' ' 64' ' ' LYS . 14.1 t70 -74.17 -50.37 19.57 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.031 0.443 . . . . 2.09 110.561 176.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.58 ' HB2' ' HD2' ' A' ' 59' ' ' PRO . 3.2 m-20 -72.36 -25.61 61.59 Favored 'General case' 0 CA--C 1.493 -1.214 0 CA-C-N 116.1 -0.5 . . . . 1.58 111.121 -179.748 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.792 HG21 HG22 ' A' ' 47' ' ' VAL . 0.8 OUTLIER -65.48 -21.33 29.02 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.163 0 CA-C-N 115.936 -0.574 . . . . 0.69 111.05 179.04 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.479 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 10.3 mtmp? -66.93 -1.81 4.49 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.111 0.564 . . . . 2.44 112.279 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -107.43 1.41 23.56 Favored 'General case' 0 CA--C 1.498 -1.021 0 N-CA-C 107.222 -1.399 . . . . 1.94 107.222 -178.094 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.57 HD13 ' HA ' ' A' ' 72' ' ' ALA . 38.9 mt -119.47 150.06 40.85 Favored 'General case' 0 N--CA 1.397 -3.124 0 N-CA-C 107.016 -1.476 . . . . 1.67 107.016 -175.499 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.477 ' HA ' ' H3 ' ' A' ' 101' ' ' SHW 0.281 0.0 OUTLIER -153.45 -34.42 0.11 Allowed 'General case' 0 C--N 1.278 -2.505 0 CA-C-N 115.124 -0.944 . . . . 3.18 112.215 176.138 . . . . . . . . 4 4 . 1 . 017 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.648 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 75.8 p -101.92 170.5 8.1 Favored 'General case' 0 C--N 1.308 -1.234 0 C-N-CA 117.44 -1.704 . . . . 0.51 110.548 173.573 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.809 HG23 ' HA ' ' A' ' 28' ' ' LEU . 6.9 m -62.77 -33.1 58.24 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.477 0 CA-C-N 114.8 -1.091 . . . . 0.35 109.201 172.278 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -67.06 -42.57 92.09 Favored Glycine 0 N--CA 1.434 -1.45 0 CA-C-N 114.882 -1.054 . . . . 0.3 111.517 178.04 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.473 ' OD2' ' HD2' ' A' ' 67' ' ' LYS . 15.0 m-20 -62.62 -47.77 82.31 Favored 'General case' 0 CA--C 1.486 -1.496 0 N-CA-C 109.737 -0.468 . . . . 1.79 109.737 177.776 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.57 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -54.03 -59.76 4.22 Favored 'General case' 0 N--CA 1.445 -0.683 0 O-C-N 124.313 1.008 . . . . 0.29 109.695 -179.756 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.67 HG23 ' HB ' ' A' ' 7' ' ' ILE . 85.8 m -49.1 -46.46 44.78 Favored 'General case' 0 C--O 1.202 -1.445 0 C-N-CA 123.729 0.811 . . . . 0.31 112.536 174.609 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -63.32 -31.81 73.06 Favored 'General case' 0 C--N 1.315 -0.923 0 C-N-CA 122.646 0.378 . . . . 2.93 111.071 -177.472 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.557 ' HB2' HD21 ' A' ' 66' ' ' LEU . 78.9 t80 -76.37 -44.13 37.69 Favored 'General case' 0 C--O 1.203 -1.385 0 N-CA-C 108.213 -1.032 . . . . 0.53 108.213 178.036 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.707 HG12 HD11 ' A' ' 58' ' ' ILE . 74.7 mt -62.3 -49.73 82.8 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.068 0 CA-C-N 115.705 -0.68 . . . . 0.27 109.959 -179.585 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 47.9 tp -49.96 -41.98 47.8 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 124.587 1.155 . . . . 1.15 111.017 179.356 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -89.34 -41.54 12.08 Favored 'General case' 0 C--N 1.296 -1.758 0 CA-C-N 115.392 -0.822 . . . . 0.67 112.78 -176.215 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.4 ' HB2' ' O ' ' A' ' 75' ' ' TYR . 0.2 OUTLIER -85.03 4.99 31.34 Favored 'General case' 0 C--N 1.308 -1.204 0 N-CA-C 113.138 0.792 . . . . 1.53 113.138 -174.867 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.417 ' HG3' ' HA ' ' A' ' 1' ' ' ALA . 13.4 mm100 -35.16 131.47 0.42 Allowed 'General case' 0 N--CA 1.492 1.65 0 C-N-CA 124.193 0.997 . . . . 0.89 111.532 175.567 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.165 0 CA-C-O 119.026 -0.511 . . . . 2.36 110.738 -176.494 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 101' ' ' SHW . . . . . 0.606 ' H37' ' HA ' ' A' ' 40' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.508 ' HA ' ' HG3' ' A' ' 80' ' ' GLN . . . . . . . . 0 N--CA 1.451 -0.424 0 N-CA-C 109.737 -0.468 . . . . 2.05 109.737 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -120.07 -172.72 2.4 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 107.072 -1.455 . . . . 1.02 107.072 178.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.573 ' O ' HG13 ' A' ' 7' ' ' ILE . 4.5 m -90.65 123.42 34.26 Favored 'General case' 0 N--CA 1.415 -2.218 0 N-CA-C 107.757 -1.201 . . . . 1.05 107.757 -178.85 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.503 ' HA ' HD12 ' A' ' 7' ' ' ILE . 70.9 mt-30 -52.52 -36.39 55.31 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 124.279 1.031 . . . . 1.25 111.513 -174.324 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -62.75 -41.02 99.0 Favored 'General case' 0 C--N 1.302 -1.462 0 CA-C-N 114.919 -1.037 . . . . 2.3 110.221 179.44 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -75.38 -28.47 59.51 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.668 -0.696 . . . . 1.92 110.225 -179.261 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.573 HG13 ' O ' ' A' ' 3' ' ' THR . 31.5 mt -65.7 -56.47 14.91 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.098 0 N-CA-C 107.859 -1.163 . . . . 0.29 107.859 176.027 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.472 ' HA ' HD12 ' A' ' 11' ' ' LEU . 84.5 t -58.54 -33.26 47.85 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.945 0 CA-C-N 115.882 -0.599 . . . . 0.32 110.887 175.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.443 ' O ' ' HG2' ' A' ' 13' ' ' GLU . . . -66.53 -41.9 88.04 Favored 'General case' 0 C--O 1.221 -0.417 0 N-CA-C 110.122 -0.325 . . . . 0.32 110.122 177.356 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -62.41 -41.09 99.78 Favored Glycine 0 CA--C 1.507 -0.465 0 N-CA-C 110.919 -0.872 . . . . 0.31 110.919 176.522 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.472 HD12 ' HA ' ' A' ' 8' ' ' VAL . 88.3 mt -61.02 -43.31 99.08 Favored 'General case' 0 N--CA 1.434 -1.257 0 C-N-CA 122.894 0.478 . . . . 0.29 109.86 175.408 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.18 -41.71 89.1 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 123.55 0.74 . . . . 0.24 111.526 178.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.443 ' HG2' ' O ' ' A' ' 9' ' ' ALA . 10.1 mm-40 -54.18 -52.41 61.27 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-O 121.925 0.869 . . . . 1.46 109.777 176.213 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.69 -52.27 62.82 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.053 0 CA-C-N 113.154 -1.839 . . . . 0.41 110.605 -177.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.516 HG11 HD13 ' A' ' 36' ' ' LEU . 92.7 t -58.74 -41.95 83.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.332 -0.394 . . . . 0.29 110.928 178.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.526 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 5.4 t-20 -60.39 -43.25 96.84 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-O 121.023 0.44 . . . . 0.64 110.226 -179.621 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -70.45 -58.49 3.66 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-N 115.582 -0.736 . . . . 2.0 111.148 -179.372 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.619 HG21 ' HB2' ' A' ' 45' ' ' GLU . 80.2 mt -78.36 -53.29 14.24 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.915 0 N-CA-C 113.156 0.798 . . . . 0.28 113.156 -172.055 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.644 ' HB2' HG13 ' A' ' 38' ' ' VAL . . . -77.03 -31.72 56.48 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.103 0.478 . . . . 0.34 109.956 -177.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.7 11.62 63.61 Favored Glycine 0 C--O 1.227 -0.296 0 CA-C-N 115.438 -0.801 . . . . 0.46 111.609 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.526 ' O ' ' HA ' ' A' ' 16' ' ' ASN . 49.9 mm -95.19 131.38 30.1 Favored Pre-proline 0 C--N 1.309 -1.193 0 CA-C-O 119.525 -0.274 . . . . 0.42 110.432 -176.434 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.498 ' HD2' ' HA ' ' A' ' 21' ' ' ILE . 14.1 Cg_exo -32.34 127.13 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.157 1 C-N-CA 125.605 4.204 . . . . 0.41 114.801 174.088 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 93.4 t -51.21 -36.44 16.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 CA-C-N 114.594 -1.184 . . . . 0.69 108.935 176.177 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -92.4 0.11 57.41 Favored 'General case' 0 N--CA 1.417 -2.081 0 N-CA-C 114.22 1.193 . . . . 2.34 114.22 -174.306 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.688 ' O ' ' HE3' ' A' ' 30' ' ' LYS . 18.8 t70 -93.32 -15.05 26.19 Favored 'General case' 0 C--O 1.208 -1.125 0 N-CA-C 106.693 -1.595 . . . . 0.69 106.693 172.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.489 ' HA ' HD21 ' A' ' 36' ' ' LEU . 81.7 t -78.18 71.83 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.058 0 CA-C-N 114.364 -1.289 . . . . 0.4 108.91 179.695 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.771 ' O ' HG21 ' A' ' 69' ' ' VAL . 80.1 mttt -85.96 179.35 7.01 Favored 'General case' 0 CA--C 1.489 -1.401 0 N-CA-C 107.312 -1.366 . . . . 1.67 107.312 178.087 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.469 ' O ' HD23 ' A' ' 28' ' ' LEU . 5.9 tt -86.16 -5.32 59.22 Favored 'General case' 0 C--N 1.291 -1.953 0 CA-C-O 121.605 0.717 . . . . 1.08 112.841 -170.494 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -96.65 -4.52 40.83 Favored 'General case' 0 C--N 1.274 -2.71 0 CA-C-O 121.216 0.531 . . . . 2.11 110.031 179.122 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.688 ' HE3' ' O ' ' A' ' 25' ' ' ASP . 63.1 mmtt -75.03 122.61 23.79 Favored 'General case' 0 C--N 1.309 -1.17 0 N-CA-C 113.237 0.829 . . . . 1.02 113.237 -172.765 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.534 ' HA ' HG22 ' A' ' 68' ' ' THR . 1.0 OUTLIER -90.74 38.06 0.94 Allowed 'General case' 0 CA--C 1.554 1.103 0 CA-C-N 116.315 -0.402 . . . . 1.16 111.165 -179.767 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.751 ' HA ' HD12 ' A' ' 36' ' ' LEU . 62.6 m-85 50.73 -100.65 0.09 Allowed 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 114.214 1.19 . . . . 0.36 114.214 178.766 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.506 HG23 ' HB ' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -69.09 33.46 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.801 0 C-N-CA 125.804 1.642 . . . . 0.47 115.125 -178.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -143.32 -71.88 0.3 Allowed 'General case' 0 C--N 1.294 -1.83 0 CA-C-N 116.331 -0.395 . . . . 0.73 110.677 178.673 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -78.49 -40.48 35.26 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.942 0.401 . . . . 1.46 111.265 -176.124 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.751 HD12 ' HA ' ' A' ' 32' ' ' PHE . 95.3 mt -74.51 -52.7 11.17 Favored 'General case' 0 CA--C 1.507 -0.699 0 N-CA-C 108.349 -0.982 . . . . 0.58 108.349 176.022 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.2 t70 81.53 92.89 0.04 OUTLIER 'General case' 0 CA--C 1.499 -0.994 0 C-N-CA 126.556 1.942 . . . . 1.14 109.83 -178.076 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.644 HG13 ' HB2' ' A' ' 19' ' ' ALA . 89.2 t -92.91 -90.74 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.295 -1.8 0 CA-C-N 114.084 -1.416 . . . . 1.79 107.847 -177.057 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.7 t70 172.12 171.43 0.1 Allowed 'General case' 0 CA--C 1.481 -1.69 0 N-CA-C 103.413 -2.81 . . . . 0.79 103.413 177.677 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.494 ' HA ' ' H37' ' A' ' 101' ' ' SHW . 3.7 t -88.98 -31.82 17.94 Favored 'General case' 0 C--N 1.258 -3.371 0 N-CA-C 108.457 -0.942 . . . . 1.23 108.457 -173.309 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 91.8 mt -86.35 -33.33 20.59 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-O 121.451 0.643 . . . . 1.02 110.72 -178.261 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.467 ' HB3' HG22 ' A' ' 18' ' ' ILE . 7.4 m -74.46 -14.11 60.79 Favored 'General case' 0 N--CA 1.434 -1.236 0 CA-C-N 115.412 -0.813 . . . . 1.02 110.68 -176.391 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.529 ' HE3' ' HB3' ' A' ' 32' ' ' PHE . 28.9 tpp -64.48 -38.81 92.31 Favored 'General case' 0 N--CA 1.439 -0.976 0 CA-C-N 115.714 -0.675 . . . . 0.55 111.102 179.749 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.45 ' O ' HG23 ' A' ' 48' ' ' VAL . 38.7 t -72.5 -23.5 21.13 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.681 0 CA-C-N 116.064 -0.516 . . . . 0.56 110.138 -178.212 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.619 ' HB2' HG21 ' A' ' 18' ' ' ILE . 8.6 mm-40 -73.11 -35.52 66.57 Favored 'General case' 0 N--CA 1.438 -1.068 0 N-CA-C 108.05 -1.093 . . . . 2.08 108.05 179.61 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 66.6 t -60.2 -46.52 94.53 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.39 0 N-CA-C 108.283 -1.006 . . . . 0.52 108.283 175.16 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.521 HG13 HG21 ' A' ' 63' ' ' VAL . 92.4 t -53.12 -63.57 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 O-C-N 123.99 0.806 . . . . 0.38 109.601 175.638 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 44' ' ' VAL . 86.6 t -46.76 -52.13 4.17 Favored 'Isoleucine or valine' 0 C--O 1.251 1.155 0 O-C-N 124.063 0.852 . . . . 0.58 111.596 179.199 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.88 -39.45 94.23 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.271 -0.422 . . . . 0.42 111.939 -179.32 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.4 -43.4 98.91 Favored 'General case' 0 C--O 1.242 0.672 0 C-N-CA 122.334 0.254 . . . . 0.38 111.325 -179.058 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.641 ' HG2' ' H ' ' A' ' 58' ' ' ILE . 40.2 mt-10 -56.6 -36.2 69.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.772 0.796 . . . . 1.36 110.593 179.189 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -83.24 -48.75 10.14 Favored 'General case' 0 C--N 1.306 -1.302 0 CA-C-N 114.943 -1.026 . . . . 2.09 111.564 -179.264 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 -64.41 -38.0 89.48 Favored 'General case' 0 CA--C 1.504 -0.794 0 C-N-CA 123.316 0.647 . . . . 2.75 110.793 -171.659 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.522 ' CD2' HG21 ' A' ' 76' ' ' ILE . 51.4 m-85 -100.32 -7.41 24.54 Favored 'General case' 0 C--N 1.297 -1.712 0 CA-C-N 115.22 -0.9 . . . . 0.73 111.109 -176.028 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.451 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 11.8 m-20 63.84 14.67 8.5 Favored 'General case' 0 N--CA 1.494 1.77 0 C-N-CA 124.45 1.1 . . . . 2.02 112.787 -178.54 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.579 ' O ' ' HA ' ' A' ' 51' ' ' GLU . 5.7 p -108.78 123.26 64.45 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.564 0 N-CA-C 108.963 -0.754 . . . . 1.61 108.963 179.757 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -70.89 103.87 2.76 Favored 'General case' 0 C--N 1.299 -1.589 0 CA-C-N 115.425 -0.807 . . . . 1.67 109.995 -178.067 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.713 HG22 HG23 ' A' ' 63' ' ' VAL . 11.5 mt -125.22 86.75 56.51 Favored Pre-proline 0 C--N 1.299 -1.593 0 N-CA-C 107.061 -1.459 . . . . 0.49 107.061 176.711 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -71.52 162.83 41.0 Favored 'Trans proline' 0 N--CA 1.442 -1.502 0 C-N-CA 121.107 1.205 . . . . 0.62 110.15 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.548 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 5.4 p-10 -48.42 -31.47 6.29 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.113 0.565 . . . . 2.0 111.574 179.171 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.461 ' HA ' ' HE3' ' A' ' 64' ' ' LYS . 21.1 t70 -60.2 -51.4 69.73 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 123.337 0.655 . . . . 2.09 112.019 177.659 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -73.71 -30.83 63.08 Favored 'General case' 0 N--CA 1.493 1.687 0 CA-C-O 121.555 0.693 . . . . 1.58 110.194 179.421 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.713 HG23 HG22 ' A' ' 58' ' ' ILE . 5.4 t -59.44 -22.62 23.32 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.572 0 CA-C-N 114.437 -1.256 . . . . 0.69 111.545 177.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.548 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 10.2 mtmp? -70.91 -1.83 13.14 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 113.284 0.846 . . . . 2.44 113.284 179.161 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -107.72 -11.7 15.37 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 106.694 -1.595 . . . . 1.94 106.694 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.566 ' HA ' ' OD1' ' A' ' 71' ' ' ASP . 52.7 mt -97.36 146.6 25.01 Favored 'General case' 0 N--CA 1.428 -1.527 0 N-CA-C 105.998 -1.853 . . . . 1.67 105.998 179.06 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.444 ' HE2' ' OD2' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -149.26 -9.3 0.33 Allowed 'General case' 0 C--N 1.282 -2.364 0 N-CA-C 113.798 1.036 . . . . 3.18 113.798 -178.2 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.534 HG22 ' HA ' ' A' ' 31' ' ' SER . 26.8 p -137.69 172.93 12.22 Favored 'General case' 0 N--CA 1.423 -1.787 0 N-CA-C 109.402 -0.592 . . . . 0.51 109.402 176.387 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.771 HG21 ' O ' ' A' ' 27' ' ' LYS . 3.3 m -60.64 -48.8 87.11 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.746 0 CA-C-N 115.023 -0.99 . . . . 0.35 109.852 173.585 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.486 ' H ' HG23 ' A' ' 69' ' ' VAL . . . -64.26 -32.82 85.47 Favored Glycine 0 N--CA 1.436 -1.366 0 CA-C-N 115.86 -0.609 . . . . 0.3 112.481 177.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.566 ' OD1' ' HA ' ' A' ' 66' ' ' LEU . 6.4 t70 -69.94 -43.46 71.58 Favored 'General case' 0 CA--C 1.508 -0.661 0 N-CA-C 108.807 -0.812 . . . . 1.79 108.807 -179.521 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.494 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -57.29 -53.0 63.07 Favored 'General case' 0 CA--C 1.514 -0.408 0 N-CA-C 108.62 -0.881 . . . . 0.29 108.62 176.106 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.482 ' HA ' HG21 ' A' ' 7' ' ' ILE . 85.7 m -48.86 -48.08 42.32 Favored 'General case' 0 C--O 1.188 -2.138 0 C-N-CA 123.843 0.857 . . . . 0.31 111.737 172.452 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 28.3 tptp -58.51 -26.87 63.93 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 123.252 0.621 . . . . 2.93 111.458 -179.254 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.459 ' HB2' HD21 ' A' ' 66' ' ' LEU . 44.9 t80 -83.96 -51.27 7.27 Favored 'General case' 0 C--N 1.314 -0.969 0 N-CA-C 108.552 -0.907 . . . . 0.53 108.552 177.26 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.523 HG12 HD11 ' A' ' 58' ' ' ILE . 82.0 mt -60.5 -51.74 69.56 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.536 0 C-N-CA 124.308 1.043 . . . . 0.27 111.242 -178.854 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.445 HD22 ' HG2' ' A' ' 4' ' ' GLN . 59.0 tp -50.83 -41.19 57.4 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.31 1.044 . . . . 1.15 111.352 179.329 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -77.87 -46.14 22.21 Favored 'General case' 0 C--N 1.307 -1.264 0 CA-C-N 114.879 -1.055 . . . . 0.67 110.322 -175.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -72.0 -58.93 3.02 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-N 114.702 -1.135 . . . . 1.53 113.587 -177.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.508 ' HG3' ' HA ' ' A' ' 1' ' ' ALA . 15.9 mm100 39.83 95.74 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 125.485 1.514 . . . . 0.89 114.778 -174.276 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.451 ' HA ' ' O ' ' A' ' 55' ' ' ASP . . . . . . . . 0 C--O 1.249 1.037 0 C-N-CA 124.319 1.047 . . . . 2.36 111.599 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' SHW . . . . . 0.494 ' H37' ' HA ' ' A' ' 40' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.471 0 N-CA-C 108.008 -1.108 . . . . 2.05 108.008 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -149.82 139.79 21.96 Favored 'General case' 0 CA--C 1.474 -1.967 0 C-N-CA 118.946 -1.102 . . . . 1.02 109.306 -177.123 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.4 m -62.75 133.88 55.44 Favored 'General case' 0 N--CA 1.422 -1.838 0 N-CA-C 105.913 -1.884 . . . . 1.05 105.913 175.599 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.567 ' HA ' HD12 ' A' ' 7' ' ' ILE . 52.7 mt-30 -50.61 -30.9 14.47 Favored 'General case' 0 C--N 1.312 -1.023 0 N-CA-C 114.341 1.237 . . . . 1.25 114.341 -173.321 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -61.76 -39.18 90.72 Favored 'General case' 0 C--N 1.315 -0.904 0 C-N-CA 122.769 0.428 . . . . 2.3 110.347 175.6 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -74.41 -26.56 60.16 Favored 'General case' 0 C--N 1.315 -0.92 0 C-N-CA 123.839 0.855 . . . . 1.92 108.794 -178.3 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.632 ' HA ' ' HE2' ' A' ' 54' ' ' PHE . 29.9 mt -71.81 -57.91 6.31 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.246 0 N-CA-C 107.678 -1.23 . . . . 0.29 107.678 177.461 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.9 t -54.88 -48.19 74.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.622 -0.717 . . . . 0.32 110.616 177.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.15 -32.59 74.36 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.556 -0.293 . . . . 0.32 111.318 179.288 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.52 -44.06 97.18 Favored Glycine 0 CA--C 1.495 -1.184 0 N-CA-C 109.629 -1.389 . . . . 0.31 109.629 175.443 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.461 ' O ' HG23 ' A' ' 15' ' ' VAL . 96.9 mt -60.13 -49.69 76.65 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 109.237 -0.653 . . . . 0.29 109.237 175.598 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.36 -45.37 72.75 Favored 'General case' 0 C--N 1.317 -0.819 0 C-N-CA 124.216 1.006 . . . . 0.24 112.721 -178.165 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -69.64 -21.72 63.53 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 112.83 0.678 . . . . 1.46 112.83 -179.503 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 96.4 mt -86.0 -42.87 16.2 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.284 0 CA-C-O 121.464 0.65 . . . . 0.41 109.305 176.072 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 11' ' ' LEU . 78.4 t -61.41 -43.26 96.4 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.993 0 CA-C-N 115.845 -0.616 . . . . 0.29 110.905 179.23 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 56.1 t30 -63.72 -29.38 70.6 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-O 121.498 0.666 . . . . 0.64 110.133 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -79.14 -53.49 6.94 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 114.938 -1.028 . . . . 2.0 110.975 -179.05 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.651 HG22 ' HB3' ' A' ' 42' ' ' SER . 92.0 mt -87.37 -53.07 10.72 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.706 0 N-CA-C 112.734 0.642 . . . . 0.28 112.734 -175.034 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.593 ' HB2' HG13 ' A' ' 38' ' ' VAL . . . -75.34 -37.94 60.43 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.996 0.427 . . . . 0.34 110.678 -177.069 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.38 3.35 61.46 Favored Glycine 0 N--CA 1.447 -0.617 0 CA-C-N 115.228 -0.896 . . . . 0.46 111.013 -178.329 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.447 ' HA ' ' HD2' ' A' ' 22' ' ' PRO . 48.4 mm -88.09 130.44 46.24 Favored Pre-proline 0 C--N 1.31 -1.111 0 N-CA-C 109.674 -0.491 . . . . 0.42 109.674 -178.133 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.447 ' HD2' ' HA ' ' A' ' 21' ' ' ILE . 7.6 Cg_exo -34.3 132.78 0.16 Allowed 'Trans proline' 0 C--N 1.354 0.862 1 C-N-CA 125.399 4.066 . . . . 0.41 115.276 175.66 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 97.1 t -55.06 -33.18 28.81 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.416 0 CA-C-N 114.146 -1.388 . . . . 0.69 107.757 174.274 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.455 ' O ' ' HE3' ' A' ' 27' ' ' LYS . 11.3 pt-20 -87.2 -9.04 56.18 Favored 'General case' 0 C--N 1.297 -1.685 0 CA-C-N 114.045 -1.434 . . . . 2.34 113.806 -175.562 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.531 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 24.5 t70 -89.65 -18.5 26.37 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 107.519 -1.289 . . . . 0.69 107.519 178.581 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.729 HG13 HG11 ' A' ' 69' ' ' VAL . 53.0 t -81.2 81.14 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.432 -1.348 0 CA-C-N 113.475 -1.693 . . . . 0.4 108.271 178.17 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.455 ' HE3' ' O ' ' A' ' 24' ' ' GLU . 34.0 mmtp -92.09 -122.63 0.08 Allowed 'General case' 0 C--N 1.297 -1.702 0 CA-C-N 113.525 -1.67 . . . . 1.67 109.744 178.385 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.61 ' HA ' HG23 ' A' ' 69' ' ' VAL . 5.7 tt -134.89 -23.33 1.56 Allowed 'General case' 0 C--N 1.314 -0.951 0 C-N-CA 118.431 -1.307 . . . . 1.08 111.846 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -90.84 -3.53 57.3 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-O 122.507 1.146 . . . . 2.11 109.126 -179.66 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.671 ' O ' HG22 ' A' ' 69' ' ' VAL . 41.1 mmtm -82.57 120.82 26.01 Favored 'General case' 0 C--N 1.298 -1.637 0 CA-C-N 114.461 -1.245 . . . . 1.02 112.085 -172.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.747 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 7.3 m -85.05 120.02 26.09 Favored 'General case' 0 N--CA 1.398 -3.069 0 N-CA-C 107.569 -1.271 . . . . 1.16 107.569 175.704 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.779 ' HA ' HD12 ' A' ' 36' ' ' LEU . 68.9 m-85 -32.81 -91.74 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 114.554 1.316 . . . . 0.36 114.554 174.072 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.683 HG23 ' HB ' ' A' ' 38' ' ' VAL . 0.7 OUTLIER -81.68 60.65 4.72 Favored 'General case' 0 C--N 1.284 -2.247 0 N-CA-C 113.575 0.954 . . . . 0.47 113.575 177.394 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.664 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 23.0 t70 -169.14 -49.15 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.496 0 CA-C-O 120.993 0.425 . . . . 0.73 110.394 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -95.36 -51.77 4.44 Favored 'General case' 0 N--CA 1.482 1.157 0 N-CA-C 109.179 -0.674 . . . . 1.46 109.179 175.276 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.779 HD12 ' HA ' ' A' ' 32' ' ' PHE . 80.6 mt -72.34 -51.72 19.36 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.328 -0.851 . . . . 0.58 110.118 -177.82 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.3 t70 80.51 95.79 0.05 Allowed 'General case' 0 CA--C 1.504 -0.813 0 C-N-CA 126.254 1.822 . . . . 1.14 109.467 -176.63 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.683 ' HB ' HG23 ' A' ' 33' ' ' THR . 93.9 t -98.42 -90.88 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.298 -1.65 0 CA-C-N 114.577 -1.192 . . . . 1.79 110.141 -173.415 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.585 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 18.3 t70 174.22 -175.01 0.07 Allowed 'General case' 0 C--N 1.298 -1.663 0 N-CA-C 105.67 -1.974 . . . . 0.79 105.67 -177.596 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.431 ' H ' ' CG ' ' A' ' 39' ' ' ASP . 4.7 t -94.65 -49.69 5.51 Favored 'General case' 0 C--N 1.272 -2.793 0 N-CA-C 107.557 -1.275 . . . . 1.23 107.557 -174.137 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 80.9 mt -86.42 -34.2 20.22 Favored 'General case' 0 C--N 1.292 -1.906 0 CA-C-N 113.722 -1.581 . . . . 1.02 109.972 -173.787 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.651 ' HB3' HG22 ' A' ' 18' ' ' ILE . 22.1 m -67.7 -25.3 65.61 Favored 'General case' 0 N--CA 1.438 -1.042 0 CA-C-N 115.316 -0.857 . . . . 1.02 109.587 179.211 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.653 ' HG2' H43A ' A' ' 101' ' ' SHW . 26.9 tpp -59.94 -47.05 87.38 Favored 'General case' 0 N--CA 1.44 -0.955 0 CA-C-N 115.604 -0.726 . . . . 0.55 110.571 177.692 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 41.5 t -71.11 -26.98 28.21 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-N 115.706 -0.679 . . . . 0.56 110.4 -177.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.533 ' HB2' HG21 ' A' ' 18' ' ' ILE . 54.6 mm-40 -71.29 -39.12 71.69 Favored 'General case' 0 N--CA 1.431 -1.395 0 N-CA-C 109.501 -0.555 . . . . 2.08 109.501 178.078 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 42' ' ' SER . 77.7 t -55.43 -51.47 56.69 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.016 0 N-CA-C 108.785 -0.82 . . . . 0.52 108.785 175.261 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.587 HG22 ' H7 ' ' A' ' 101' ' ' SHW . 64.5 t -57.52 -64.47 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.621 0 O-C-N 123.635 0.585 . . . . 0.38 111.159 179.784 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 93.7 t -52.58 -50.56 39.81 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.855 0 N-CA-C 112.401 0.519 . . . . 0.58 112.401 -179.628 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.76 -26.32 66.06 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 117.875 0.307 . . . . 0.42 111.705 -178.654 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ALA . . . . . 0.415 ' O ' ' HD1' ' A' ' 54' ' ' PHE . . . -65.39 -35.86 82.23 Favored 'General case' 0 C--O 1.204 -1.316 0 N-CA-C 108.741 -0.837 . . . . 0.38 108.741 178.038 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . 0.253 48.0 mm-40 -58.04 -27.09 63.27 Favored 'General case' 0 N--CA 1.404 -2.731 0 N-CA-C 116.942 2.201 . . . . 1.36 116.942 175.403 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -82.85 -19.76 36.92 Favored 'General case' 0 C--N 1.306 -1.313 0 CA-C-O 122.085 0.945 . . . . 2.09 109.084 176.205 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 -88.61 -52.61 5.06 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-N 115.271 -0.877 . . . . 2.75 110.438 -178.304 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.632 ' HE2' ' HA ' ' A' ' 7' ' ' ILE . 75.6 m-85 -91.34 -38.41 12.64 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 123.952 0.901 . . . . 0.73 112.801 -172.392 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.2 t70 71.65 26.78 3.05 Favored 'General case' 0 N--CA 1.499 1.99 0 C-N-CA 123.674 0.79 . . . . 2.02 111.694 174.329 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.432 ' HB ' ' HB3' ' A' ' 79' ' ' HIS . 19.8 m -104.65 3.15 10.53 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.024 0 N-CA-C 114.11 1.152 . . . . 1.61 114.11 -171.691 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . 0.259 14.2 mmmm 54.78 86.92 0.05 OUTLIER 'General case' 0 C--N 1.294 -1.813 0 C-N-CA 126.765 2.026 . . . . 1.67 113.572 -177.189 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.808 HG22 HG23 ' A' ' 63' ' ' VAL . 8.4 mt -114.81 101.26 54.37 Favored Pre-proline 0 C--N 1.296 -1.722 0 N-CA-C 106.828 -1.545 . . . . 0.49 106.828 178.796 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.463 ' HD2' ' HB2' ' A' ' 62' ' ' ASP . 56.6 Cg_endo -84.9 156.7 11.61 Favored 'Trans proline' 0 N--CA 1.442 -1.52 0 C-N-CA 121.305 1.337 . . . . 0.62 110.305 175.305 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.651 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 3.8 p30 -43.44 -37.63 2.45 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.442 0.697 . . . . 2.0 112.805 176.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -63.13 -44.15 96.4 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 112.523 0.564 . . . . 2.09 112.523 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.463 ' HB2' ' HD2' ' A' ' 59' ' ' PRO . 0.9 OUTLIER -72.5 -32.48 66.2 Favored 'General case' 0 CA--C 1.49 -1.364 0 CA-C-O 121.61 0.719 . . . . 1.58 109.775 179.052 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.808 HG23 HG22 ' A' ' 58' ' ' ILE . 2.9 t -60.2 -25.56 33.88 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.81 0 CA-C-N 114.248 -1.342 . . . . 0.69 111.432 174.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.651 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 95.1 mttt -76.79 -0.05 22.42 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-O 121.36 0.6 . . . . 2.44 111.878 178.466 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 47.7 m-80 -116.1 10.71 15.08 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 106.972 -1.492 . . . . 1.94 106.972 -179.126 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.65 HD13 ' HA ' ' A' ' 72' ' ' ALA . 53.4 mt -120.33 158.96 25.99 Favored 'General case' 0 N--CA 1.402 -2.874 0 N-CA-C 103.853 -2.647 . . . . 1.67 103.853 175.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.518 ' HD2' ' OD2' ' A' ' 71' ' ' ASP 0.338 0.0 OUTLIER -154.61 -22.55 0.12 Allowed 'General case' 0 C--N 1.285 -2.222 0 N-CA-C 113.93 1.085 . . . . 3.18 113.93 176.757 . . . . . . . . 4 4 . 1 . 019 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.747 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 77.4 p -113.15 176.28 5.09 Favored 'General case' 0 N--CA 1.432 -1.345 0 C-N-CA 119.22 -0.992 . . . . 0.51 110.974 172.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.729 HG11 HG13 ' A' ' 26' ' ' VAL . 2.4 m -67.87 -27.63 38.49 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.133 0 CA-C-N 114.537 -1.211 . . . . 0.35 109.723 170.849 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -70.41 -43.1 63.13 Favored Glycine 0 N--CA 1.429 -1.809 0 CA-C-N 115.111 -0.95 . . . . 0.3 110.913 176.079 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.518 ' OD2' ' HD2' ' A' ' 67' ' ' LYS . 18.1 m-20 -61.17 -46.71 89.4 Favored 'General case' 0 CA--C 1.493 -1.231 0 C-N-CA 122.367 0.267 . . . . 1.79 111.131 178.575 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.65 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -54.38 -59.48 4.62 Favored 'General case' 0 C--O 1.222 -0.393 0 N-CA-C 109.173 -0.677 . . . . 0.29 109.173 178.016 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.583 ' HA ' HG21 ' A' ' 7' ' ' ILE . 90.0 m -48.86 -48.55 41.88 Favored 'General case' 0 C--O 1.207 -1.14 0 C-N-CA 124.122 0.969 . . . . 0.31 113.15 173.69 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -58.57 -37.27 75.39 Favored 'General case' 0 C--N 1.314 -0.958 0 C-N-CA 123.154 0.581 . . . . 2.93 111.187 -179.223 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.52 ' HB2' HD21 ' A' ' 66' ' ' LEU . 89.9 t80 -74.9 -44.08 50.76 Favored 'General case' 0 N--CA 1.44 -0.927 0 N-CA-C 108.855 -0.795 . . . . 0.53 108.855 179.435 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.484 HG21 ' CD2' ' A' ' 54' ' ' PHE . 88.7 mt -63.75 -46.1 95.45 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.626 0 CA-C-N 115.212 -0.904 . . . . 0.27 110.648 -179.677 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.52 ' HA ' HE21 ' A' ' 80' ' ' GLN . 17.9 tp -61.96 -29.37 70.19 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-O 121.617 0.722 . . . . 1.15 110.818 178.668 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -79.79 -43.07 23.15 Favored 'General case' 0 C--N 1.293 -1.883 0 CA-C-N 115.363 -0.835 . . . . 0.67 110.173 -178.268 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' HIS . . . . . 0.432 ' HB3' ' HB ' ' A' ' 56' ' ' VAL . 0.1 OUTLIER -71.65 -52.18 19.3 Favored 'General case' 0 C--N 1.297 -1.708 0 CA-C-N 114.537 -1.21 . . . . 1.53 111.849 179.503 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.52 HE21 ' HA ' ' A' ' 77' ' ' LEU . 63.1 mm-40 30.6 112.01 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 118.769 2.877 . . . . 0.89 118.769 179.396 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.407 -2.577 0 N-CA-C 106.74 -1.578 . . . . 2.36 106.74 176.087 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 101' ' ' SHW . . . . . 0.653 H43A ' HG2' ' A' ' 43' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.512 ' HA ' ' HG3' ' A' ' 80' ' ' GLN . . . . . . . . 0 N--CA 1.447 -0.624 0 N-CA-C 109.075 -0.713 . . . . 2.05 109.075 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -127.11 167.22 16.28 Favored 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 106.365 -1.717 . . . . 1.02 106.365 178.321 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.547 ' O ' HG13 ' A' ' 7' ' ' ILE . 63.6 p -74.73 128.68 36.15 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 107.939 -1.134 . . . . 1.05 107.939 179.794 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.427 ' HA ' HD12 ' A' ' 7' ' ' ILE . 25.6 mt-30 -51.65 -31.82 27.07 Favored 'General case' 0 N--CA 1.483 1.208 0 N-CA-C 112.31 0.485 . . . . 1.25 112.31 -174.859 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 19.9 mp0 -70.71 -37.34 73.55 Favored 'General case' 0 C--N 1.308 -1.222 0 CA-C-N 115.572 -0.74 . . . . 2.3 109.542 -176.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -70.39 -33.64 71.64 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 121.541 0.686 . . . . 1.92 109.402 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.547 HG13 ' O ' ' A' ' 3' ' ' THR . 29.3 mt -66.47 -55.9 16.57 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.131 0 CA-C-N 114.629 -1.168 . . . . 0.29 108.1 177.837 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.444 HG21 HD11 ' A' ' 28' ' ' LEU . 53.4 t -55.65 -39.46 55.03 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.712 0 CA-C-N 115.859 -0.609 . . . . 0.32 111.4 177.096 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.86 -37.97 86.5 Favored 'General case' 0 C--O 1.242 0.69 0 C-N-CA 122.824 0.45 . . . . 0.32 110.889 177.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.32 -43.78 87.21 Favored Glycine 0 CA--C 1.496 -1.112 0 N-CA-C 110.533 -1.027 . . . . 0.31 110.533 177.047 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.47 ' O ' HG23 ' A' ' 15' ' ' VAL . 96.4 mt -59.42 -50.46 73.88 Favored 'General case' 0 C--N 1.314 -0.939 0 N-CA-C 109.637 -0.505 . . . . 0.29 109.637 177.159 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.44 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -53.7 -43.7 69.18 Favored 'General case' 0 C--N 1.316 -0.888 0 C-N-CA 124.733 1.213 . . . . 0.24 112.476 -178.581 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -67.31 -42.96 82.82 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 119.732 -0.787 . . . . 1.46 112.099 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 93.9 mt -60.93 -49.23 85.52 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.98 0 CA-C-O 121.374 0.607 . . . . 0.41 109.666 176.293 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 11' ' ' LEU . 91.1 t -58.9 -46.61 91.2 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.387 0 CA-C-N 115.427 -0.806 . . . . 0.29 110.268 178.857 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -64.79 -31.98 73.46 Favored 'General case' 0 C--N 1.297 -1.692 0 O-C-N 122.002 -0.436 . . . . 0.64 111.67 -179.315 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -72.16 -51.63 20.4 Favored 'General case' 0 C--N 1.304 -1.375 0 CA-C-N 115.822 -0.626 . . . . 2.0 111.067 179.649 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.698 HG21 ' HB2' ' A' ' 45' ' ' GLU . 75.9 mt -88.9 -54.22 8.16 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 CA-C-O 121.45 0.643 . . . . 0.28 111.913 -174.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.608 ' HB1' HG21 ' A' ' 38' ' ' VAL . . . -76.59 -40.32 49.88 Favored 'General case' 0 C--N 1.307 -1.266 0 CA-C-N 115.496 -0.775 . . . . 0.34 109.775 -176.783 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.78 21.42 39.88 Favored Glycine 0 C--O 1.214 -1.116 0 CA-C-N 115.613 -0.722 . . . . 0.46 111.432 -179.241 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ILE . . . . . 0.525 HG21 HD22 ' A' ' 36' ' ' LEU . 48.8 mm -96.06 130.95 29.88 Favored Pre-proline 0 C--N 1.307 -1.253 0 N-CA-C 109.212 -0.662 . . . . 0.42 109.212 -178.412 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.497 ' HD2' ' HA ' ' A' ' 21' ' ' ILE . 12.9 Cg_exo -31.39 125.51 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 1 C-N-CA 125.866 4.377 . . . . 0.41 114.926 174.939 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.44 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 89.2 t -59.55 -32.69 49.6 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-N 113.943 -1.481 . . . . 0.69 108.788 179.112 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -89.74 -14.38 34.76 Favored 'General case' 0 N--CA 1.425 -1.691 0 N-CA-C 113.378 0.881 . . . . 2.34 113.378 -177.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.474 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 10.3 t70 -86.39 -19.09 30.23 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-O 122.271 1.034 . . . . 0.69 108.474 -179.016 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.729 HG13 HG11 ' A' ' 69' ' ' VAL . 32.3 t -72.5 86.09 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.915 0 CA-C-N 113.905 -1.498 . . . . 0.4 108.322 172.227 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -96.02 -122.11 0.11 Allowed 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 113.846 -1.524 . . . . 1.67 109.322 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.642 ' HA ' HG23 ' A' ' 69' ' ' VAL . 8.2 mp -129.11 -31.22 2.13 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 113.459 0.911 . . . . 1.08 113.459 176.652 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -82.49 -6.95 59.62 Favored 'General case' 0 N--CA 1.484 1.274 0 CA-C-O 122.795 1.283 . . . . 2.11 109.378 -177.293 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.632 ' O ' HG22 ' A' ' 69' ' ' VAL . 39.5 mmtm -78.05 105.16 9.08 Favored 'General case' 0 C--N 1.295 -1.783 0 CA-C-N 113.902 -1.499 . . . . 1.02 112.42 -174.569 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.591 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 17.7 m -72.15 115.67 11.65 Favored 'General case' 0 N--CA 1.398 -3.037 0 N-CA-C 107.372 -1.344 . . . . 1.16 107.372 170.856 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.8 ' HA ' HD12 ' A' ' 36' ' ' LEU . 96.6 m-85 -35.18 -84.5 0.0 OUTLIER 'General case' 0 C--N 1.312 -1.061 0 N-CA-C 114.149 1.166 . . . . 0.36 114.149 176.537 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.554 HG23 ' HE3' ' A' ' 43' ' ' MET . 0.0 OUTLIER -83.34 45.54 1.05 Allowed 'General case' 0 C--N 1.295 -1.801 0 N-CA-C 113.831 1.049 . . . . 0.47 113.831 -179.824 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.591 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 7.1 t70 -153.99 -63.65 0.14 Allowed 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.926 -0.579 . . . . 0.73 110.491 179.208 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.538 ' OD2' ' HD3' ' A' ' 30' ' ' LYS . 6.8 t70 -88.83 -43.95 10.85 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.331 -0.618 . . . . 1.46 109.331 -174.765 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.8 HD12 ' HA ' ' A' ' 32' ' ' PHE . 96.1 mt -71.06 -54.39 11.34 Favored 'General case' 0 CA--C 1.511 -0.529 0 N-CA-C 106.555 -1.646 . . . . 0.58 106.555 172.707 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.8 t70 72.93 86.07 0.11 Allowed 'General case' 0 CA--C 1.509 -0.607 0 CA-C-N 113.956 -1.474 . . . . 1.14 112.16 173.682 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.662 HG13 ' H ' ' A' ' 39' ' ' ASP . 3.2 p -112.3 -89.95 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.433 -1.324 0 N-CA-C 113.818 1.044 . . . . 1.79 113.818 176.695 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.662 ' H ' HG13 ' A' ' 38' ' ' VAL . 10.7 t70 -159.34 172.75 17.41 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 108.786 -0.82 . . . . 0.79 108.786 -174.267 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 27.4 t -84.39 -53.82 5.19 Favored 'General case' 0 C--N 1.28 -2.442 0 C-N-CA 125.177 1.391 . . . . 1.23 111.037 -172.239 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.402 ' O ' ' HG2' ' A' ' 45' ' ' GLU . 48.9 mt -73.65 -28.12 61.61 Favored 'General case' 0 CA--C 1.492 -1.273 0 C-N-CA 120.425 -0.51 . . . . 1.02 109.843 -173.817 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.565 ' O ' HG23 ' A' ' 46' ' ' VAL . 17.1 m -68.9 -28.17 66.44 Favored 'General case' 0 N--CA 1.424 -1.745 0 CA-C-N 115.015 -0.993 . . . . 1.02 108.969 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.554 ' HE3' HG23 ' A' ' 33' ' ' THR . 23.9 tpp -71.01 -40.64 71.67 Favored 'General case' 0 N--CA 1.429 -1.508 0 CA-C-N 115.661 -0.699 . . . . 0.55 110.473 -177.526 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.42 ' O ' HG23 ' A' ' 48' ' ' VAL . 45.0 t -68.31 -37.1 77.46 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.981 0 N-CA-C 109.074 -0.713 . . . . 0.56 109.074 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.698 ' HB2' HG21 ' A' ' 18' ' ' ILE . 70.3 mm-40 -64.7 -36.55 84.65 Favored 'General case' 0 N--CA 1.44 -0.948 0 CA-C-N 116.265 -0.425 . . . . 2.08 110.178 177.563 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 42' ' ' SER . 75.6 t -60.6 -48.49 88.37 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.623 0 N-CA-C 109.201 -0.666 . . . . 0.52 109.201 176.413 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 43' ' ' MET . 63.3 t -50.45 -63.46 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 O-C-N 123.935 0.772 . . . . 0.38 109.315 176.475 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 44' ' ' VAL . 57.3 t -47.77 -54.04 4.11 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.049 0 CA-C-N 115.216 -0.902 . . . . 0.58 111.569 178.133 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.92 -35.45 80.72 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.628 0.603 . . . . 0.42 112.628 -177.644 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.04 -39.84 93.72 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.817 0.342 . . . . 0.38 110.627 179.451 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.662 ' HG2' ' H ' ' A' ' 58' ' ' ILE . 40.8 mt-10 -61.38 -36.5 80.44 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 122.025 0.917 . . . . 1.36 110.425 178.752 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -77.75 -38.32 47.24 Favored 'General case' 0 C--N 1.305 -1.365 0 CA-C-N 114.665 -1.152 . . . . 2.09 110.651 -178.562 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 32.4 tpt180 -80.79 -38.27 28.75 Favored 'General case' 0 C--N 1.312 -1.039 0 N-CA-C 112.428 0.529 . . . . 2.75 112.428 -173.266 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.513 ' CD2' HG21 ' A' ' 76' ' ' ILE . 33.1 m-85 -98.85 -7.25 27.64 Favored 'General case' 0 C--N 1.307 -1.267 0 N-CA-C 112.343 0.498 . . . . 0.73 112.343 -175.206 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 67.5 15.63 9.85 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 123.911 0.884 . . . . 2.02 112.32 -178.368 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.568 ' O ' ' HA ' ' A' ' 51' ' ' GLU . 6.9 p -118.87 120.69 64.83 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.428 0 N-CA-C 109.088 -0.708 . . . . 1.61 109.088 179.098 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.427 ' HD2' ' HB3' ' A' ' 51' ' ' GLU . 3.5 mmmp? -74.21 97.92 3.07 Favored 'General case' 0 C--N 1.291 -1.947 0 CA-C-N 115.008 -0.996 . . . . 1.67 110.488 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.662 ' H ' ' HG2' ' A' ' 51' ' ' GLU . 17.7 mt -98.26 98.51 5.8 Favored Pre-proline 0 C--N 1.296 -1.754 0 N-CA-C 105.831 -1.914 . . . . 0.49 105.831 173.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -68.0 141.16 52.29 Favored 'Trans proline' 0 N--CA 1.444 -1.407 0 C-N-CA 121.618 1.545 . . . . 0.62 112.942 -173.71 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.513 ' O ' HG12 ' A' ' 63' ' ' VAL . 1.1 m-20 -41.13 -35.33 0.56 Allowed 'General case' 0 C--O 1.211 -0.97 0 C-N-CA 126.754 2.022 . . . . 2.0 112.824 176.771 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -75.11 -42.75 55.79 Favored 'General case' 0 C--N 1.307 -1.266 0 N-CA-C 111.978 0.362 . . . . 2.09 111.978 179.702 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -87.03 -22.69 25.32 Favored 'General case' 0 CA--C 1.508 -0.639 0 CA-C-O 121.224 0.535 . . . . 1.58 110.677 -174.583 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.87 HG22 ' H4 ' ' A' ' 101' ' ' SHW . 4.0 p -63.58 -23.23 32.8 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.024 0 CA-C-N 115.423 -0.808 . . . . 0.69 109.907 -179.79 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.44 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 90.0 mttt -72.1 -6.26 41.22 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 115.431 -0.804 . . . . 2.44 111.322 -179.121 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 49.1 m-80 -88.59 -22.36 23.55 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.526 -0.546 . . . . 1.94 109.526 176.409 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.859 HD13 ' HA ' ' A' ' 72' ' ' ALA . 60.2 mt -68.2 -68.33 0.4 Allowed 'General case' 0 C--O 1.239 0.546 0 O-C-N 123.322 0.389 . . . . 1.67 110.355 -175.217 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 29.0 mmtp 75.59 -44.92 0.53 Allowed 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.339 1.056 . . . . 3.18 113.491 177.172 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.415 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 29.8 p -111.97 156.94 21.32 Favored 'General case' 0 N--CA 1.392 -3.359 0 CA-C-O 121.587 0.708 . . . . 0.51 112.316 -175.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.729 HG11 HG13 ' A' ' 26' ' ' VAL . 2.9 m -62.37 -27.86 43.5 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.861 0 CA-C-N 114.174 -1.376 . . . . 0.35 111.568 175.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -77.81 -38.54 27.04 Favored Glycine 0 N--CA 1.434 -1.437 0 C-N-CA 120.862 -0.685 . . . . 0.3 111.855 177.621 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.477 ' OD1' ' HA ' ' A' ' 66' ' ' LEU . 8.4 t70 -76.99 -30.19 55.82 Favored 'General case' 0 CA--C 1.512 -0.505 0 N-CA-C 109.529 -0.545 . . . . 1.79 109.529 -177.661 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.859 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -56.82 -56.49 20.87 Favored 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 107.997 -1.112 . . . . 0.29 107.997 173.405 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.516 ' HA ' HG21 ' A' ' 7' ' ' ILE . 86.5 m -48.39 -53.99 15.64 Favored 'General case' 0 C--O 1.176 -2.768 0 CA-C-N 115.173 -0.921 . . . . 0.31 111.228 169.857 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 58.5 tptt -48.85 -35.15 13.96 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.637 0.775 . . . . 2.93 112.206 178.341 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.407 ' CE1' HG12 ' A' ' 58' ' ' ILE . 36.4 t80 -72.75 -55.51 6.64 Favored 'General case' 0 C--O 1.212 -0.889 0 N-CA-C 108.112 -1.07 . . . . 0.53 108.112 178.572 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.513 HG21 ' CD2' ' A' ' 54' ' ' PHE . 68.0 mt -59.94 -50.15 81.23 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.65 0 C-N-CA 124.69 1.196 . . . . 0.27 111.131 -178.002 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 58.3 tp -48.45 -36.65 15.37 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.4 1.48 . . . . 1.15 110.894 178.459 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -88.31 -52.44 5.21 Favored 'General case' 0 C--N 1.3 -1.557 0 CA-C-N 115.134 -0.939 . . . . 0.67 111.025 -179.456 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 28.9 m-70 -78.8 5.92 10.24 Favored 'General case' 0 C--N 1.306 -1.295 0 C-N-CA 125.689 1.596 . . . . 1.53 114.298 -173.037 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLN . . . . . 0.512 ' HG3' ' HA ' ' A' ' 1' ' ' ALA . 13.4 mm100 -31.98 112.06 0.1 Allowed 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 115.599 1.703 . . . . 0.89 115.599 -179.618 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.198 0 C-N-CA 126.628 1.971 . . . . 2.36 114.554 173.124 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 101' ' ' SHW . . . . . 0.87 ' H4 ' HG22 ' A' ' 63' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.642 ' O ' HG13 ' A' ' 7' ' ' ILE . 0.5 OUTLIER . . . . . 0 N--CA 1.419 -1.98 0 N-CA-C 107.556 -1.275 . . . . 1.05 107.556 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -52.85 -41.1 63.95 Favored 'General case' 0 N--CA 1.489 1.518 0 CA-C-O 121.596 0.713 . . . . 1.25 111.545 -173.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -72.01 -27.83 62.99 Favored 'General case' 0 C--N 1.296 -1.728 0 CA-C-N 114.872 -1.058 . . . . 2.3 110.399 -176.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.514 ' HB3' ' O ' ' A' ' 3' ' ' THR . 40.9 tt0 -75.03 -36.03 61.91 Favored 'General case' 0 C--N 1.305 -1.359 0 N-CA-C 108.201 -1.037 . . . . 1.92 108.201 177.605 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.642 HG13 ' O ' ' A' ' 3' ' ' THR . 29.8 mt -64.07 -56.48 16.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 107.73 -1.211 . . . . 0.29 107.73 176.129 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.608 ' HA ' HD12 ' A' ' 11' ' ' LEU . 93.7 t -53.75 -40.85 45.12 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.993 0 CA-C-N 115.481 -0.781 . . . . 0.32 110.795 176.485 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.93 -32.01 72.97 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.958 0.409 . . . . 0.32 111.194 177.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.38 -37.45 90.4 Favored Glycine 0 C--O 1.215 -1.078 0 N-CA-C 110.451 -1.06 . . . . 0.31 110.451 176.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.608 HD12 ' HA ' ' A' ' 8' ' ' VAL . 63.8 mt -65.87 -50.38 64.72 Favored 'General case' 0 C--N 1.31 -1.137 0 N-CA-C 108.278 -1.008 . . . . 0.29 108.278 175.426 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.481 ' HA ' HG21 ' A' ' 26' ' ' VAL . . . -51.93 -45.94 64.5 Favored 'General case' 0 C--N 1.318 -0.786 0 C-N-CA 125.108 1.363 . . . . 0.24 113.091 -178.247 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -66.34 -26.2 67.18 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 113.065 0.765 . . . . 1.46 113.065 -177.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.485 HD11 ' HG2' ' A' ' 53' ' ' ARG . 85.7 mt -85.78 -42.47 16.05 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.754 0 N-CA-C 108.84 -0.8 . . . . 0.41 108.84 179.205 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.406 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 78.3 t -62.07 -40.62 88.09 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.996 0 CA-C-N 115.466 -0.788 . . . . 0.29 110.937 178.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.524 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 5.8 t-20 -61.51 -33.33 73.62 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 121.02 0.438 . . . . 0.64 110.542 179.492 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -79.84 -61.99 1.82 Allowed 'General case' 0 C--N 1.305 -1.33 0 CA-C-N 115.099 -0.955 . . . . 2.0 110.795 -177.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.556 HG21 ' HB2' ' A' ' 45' ' ' GLU . 87.6 mt -76.98 -52.73 16.22 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.043 0 CA-C-N 115.304 -0.862 . . . . 0.28 112.922 -172.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.576 ' HB2' HG13 ' A' ' 38' ' ' VAL . . . -74.05 -42.11 60.73 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-O 121.529 0.68 . . . . 0.34 109.334 -179.441 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 92.27 28.18 13.83 Favored Glycine 0 N--CA 1.436 -1.345 0 CA-C-N 114.828 -1.078 . . . . 0.46 110.747 -177.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.524 ' O ' ' HA ' ' A' ' 16' ' ' ASN . 49.5 mm -111.69 131.24 22.47 Favored Pre-proline 0 C--N 1.311 -1.066 0 N-CA-C 108.316 -0.994 . . . . 0.42 108.316 -179.175 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.465 ' HD2' ' HA ' ' A' ' 21' ' ' ILE . 4.5 Cg_exo -33.11 129.72 0.12 Allowed 'Trans proline' 0 C--N 1.356 0.967 1 C-N-CA 125.601 4.201 . . . . 0.41 115.486 176.874 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 66.3 t -56.19 -39.05 57.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 N-CA-C 107.174 -1.417 . . . . 0.69 107.174 176.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.524 ' O ' ' HE3' ' A' ' 27' ' ' LYS . 29.6 mm-40 -78.17 -19.95 52.92 Favored 'General case' 0 N--CA 1.412 -2.367 0 CA-C-N 113.118 -1.855 . . . . 2.34 113.224 -173.733 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.406 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 25.1 t0 -91.4 -0.52 57.65 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-O 122.652 1.215 . . . . 0.69 109.445 -179.641 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.633 HG13 HG11 ' A' ' 69' ' ' VAL . 41.3 t -80.75 80.64 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.42 -1.935 0 CA-C-O 123.156 1.455 . . . . 0.4 107.493 172.716 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.524 ' HE3' ' O ' ' A' ' 24' ' ' GLU . 26.1 mmtp -81.56 -146.01 0.06 Allowed 'General case' 0 C--N 1.308 -1.199 0 CA-C-N 111.806 -2.452 . . . . 1.67 107.942 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.459 ' HA ' HG23 ' A' ' 69' ' ' VAL . 4.9 tt -122.2 -17.35 7.19 Favored 'General case' 0 C--N 1.304 -1.376 0 C-N-CA 119.275 -0.97 . . . . 1.08 111.523 -179.529 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -87.64 -11.77 47.47 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-O 122.288 1.042 . . . . 2.11 109.625 176.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.671 ' O ' HG22 ' A' ' 69' ' ' VAL . 70.8 mmtt -70.21 114.14 8.06 Favored 'General case' 0 C--N 1.3 -1.568 0 CA-C-N 114.582 -1.19 . . . . 1.02 113.465 -172.194 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.642 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 5.2 p -81.51 109.62 16.14 Favored 'General case' 0 N--CA 1.392 -3.358 0 N-CA-C 107.606 -1.257 . . . . 1.16 107.606 171.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.678 ' HA ' HD12 ' A' ' 36' ' ' LEU . 64.9 m-85 -29.81 -86.57 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.314 0 N-CA-C 114.154 1.168 . . . . 0.36 114.154 176.64 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.498 HG23 ' HB ' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -76.63 40.78 0.24 Allowed 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 114.326 1.232 . . . . 0.47 114.326 178.295 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -150.43 -68.22 0.19 Allowed 'General case' 0 C--N 1.316 -0.882 0 O-C-N 121.764 -0.585 . . . . 0.73 112.461 179.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -80.32 -44.1 20.09 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 108.917 -0.771 . . . . 1.46 108.917 -178.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.678 HD12 ' HA ' ' A' ' 32' ' ' PHE . 95.8 mt -72.07 -46.85 55.3 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 108.638 -0.875 . . . . 0.58 108.638 177.416 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.5 t70 74.35 85.67 0.1 Allowed 'General case' 0 CA--C 1.516 -0.358 0 C-N-CA 125.414 1.486 . . . . 1.14 110.924 178.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.576 HG13 ' HB2' ' A' ' 19' ' ' ALA . 89.1 t -87.72 -90.03 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.305 -1.345 0 CA-C-N 113.97 -1.468 . . . . 1.79 109.997 -176.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.484 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 16.5 t70 170.91 167.64 0.07 Allowed 'General case' 0 CA--C 1.49 -1.346 0 N-CA-C 103.121 -2.918 . . . . 0.79 103.121 -177.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 31.5 t -87.69 -39.78 14.7 Favored 'General case' 0 C--N 1.253 -3.608 0 CA-C-O 121.941 0.877 . . . . 1.23 108.683 -173.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 28.1 mt -87.03 -30.94 20.82 Favored 'General case' 0 C--N 1.297 -1.695 0 CA-C-N 114.963 -1.017 . . . . 1.02 109.953 -173.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.495 ' HB3' HG22 ' A' ' 18' ' ' ILE . 31.5 m -72.1 -24.62 61.52 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-O 121.426 0.631 . . . . 1.02 109.537 177.282 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.545 ' HE3' ' HB3' ' A' ' 32' ' ' PHE . 32.5 tpp -59.0 -44.18 91.61 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 115.557 -0.747 . . . . 0.55 111.225 179.302 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 39.6 t -66.01 -23.54 32.3 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 CA-C-N 115.612 -0.722 . . . . 0.56 111.218 -176.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.556 ' HB2' HG21 ' A' ' 18' ' ' ILE . 37.8 mt-10 -74.95 -35.44 62.14 Favored 'General case' 0 N--CA 1.439 -1.0 0 N-CA-C 109.195 -0.668 . . . . 2.08 109.195 178.322 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 62.6 t -63.12 -47.27 93.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 108.245 -1.021 . . . . 0.52 108.245 177.03 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.599 HG21 HG11 ' A' ' 63' ' ' VAL . 31.9 t -58.36 -57.77 9.45 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.335 -0.848 . . . . 0.38 110.735 179.022 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.547 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 2.1 p -56.0 -41.11 66.86 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 CA-C-O 121.571 0.7 . . . . 0.58 111.626 -177.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.39 -35.18 73.32 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 115.503 -0.771 . . . . 0.42 111.167 178.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.2 -34.12 73.18 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 122.88 0.472 . . . . 0.38 111.279 -179.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.573 ' HG2' ' H ' ' A' ' 58' ' ' ILE . 39.2 mt-10 -56.26 -42.62 77.71 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.433 0.635 . . . . 1.36 110.653 179.381 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -83.35 -35.88 24.82 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-N 116.022 -0.535 . . . . 2.09 111.398 178.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.485 ' HG2' HD11 ' A' ' 14' ' ' ILE . 6.8 tpm_? -67.1 -37.43 83.92 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.788 -0.642 . . . . 2.75 111.378 -174.054 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.503 ' CD2' HG21 ' A' ' 76' ' ' ILE . 69.3 m-85 -101.73 -11.85 18.81 Favored 'General case' 0 C--N 1.291 -1.97 0 CA-C-N 115.382 -0.826 . . . . 0.73 111.47 -176.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 59.82 70.41 0.64 Allowed 'General case' 0 CA--C 1.505 -0.771 0 CA-C-O 121.774 0.797 . . . . 2.02 110.019 -173.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.439 HG12 ' HB2' ' A' ' 54' ' ' PHE . 14.9 p -160.48 178.74 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.296 -1.748 0 N-CA-C 106.066 -1.827 . . . . 1.61 106.066 -177.132 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.42 ' HD2' ' HA ' ' A' ' 57' ' ' LYS . 45.6 tptt -129.93 99.35 5.07 Favored 'General case' 0 C--N 1.292 -1.925 0 CA-C-N 119.22 0.918 . . . . 1.67 108.761 179.036 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.573 ' H ' ' HG2' ' A' ' 51' ' ' GLU . 19.8 mt -112.5 104.53 55.99 Favored Pre-proline 0 C--N 1.313 -0.995 0 N-CA-C 107.76 -1.2 . . . . 0.49 107.76 -179.158 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -78.41 144.47 20.35 Favored 'Trans proline' 0 N--CA 1.44 -1.676 0 C-N-CA 121.702 1.602 . . . . 0.62 112.005 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.523 ' HA ' ' CG1' ' A' ' 63' ' ' VAL . 7.0 t70 -53.1 -29.73 32.29 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.614 0.766 . . . . 2.0 111.705 176.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -50.98 -59.03 4.59 Favored 'General case' 0 C--N 1.308 -1.221 0 CA-C-N 115.246 -0.888 . . . . 2.09 111.468 176.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -87.52 -23.03 24.53 Favored 'General case' 0 C--N 1.316 -0.891 0 N-CA-C 112.742 0.645 . . . . 1.58 112.742 -176.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.599 HG11 HG21 ' A' ' 47' ' ' VAL . 2.0 p -57.72 -23.19 19.82 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 CA-C-O 121.228 0.537 . . . . 0.69 111.607 -176.148 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.515 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 58.7 mttm -66.33 -12.97 59.72 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 115.655 -0.702 . . . . 2.44 111.431 -178.3 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -96.86 -5.86 37.24 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.199 -0.455 . . . . 1.94 110.954 -179.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.693 HD13 ' HA ' ' A' ' 72' ' ' ALA . 87.2 mt -75.17 -52.1 11.78 Favored 'General case' 0 C--O 1.214 -0.814 0 C-N-CA 120.726 -0.39 . . . . 1.67 110.373 -179.437 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . 0.446 0.1 OUTLIER 59.02 -28.57 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 117.865 2.542 . . . . 3.18 117.865 176.13 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.642 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 75.4 p -125.78 171.11 10.93 Favored 'General case' 0 C--N 1.297 -1.701 0 O-C-N 121.513 -0.742 . . . . 0.51 110.813 176.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.671 HG22 ' O ' ' A' ' 30' ' ' LYS . 3.3 m -69.03 -40.79 81.24 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.71 0 CA-C-N 114.597 -1.183 . . . . 0.35 110.136 173.09 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -66.42 -41.0 94.63 Favored Glycine 0 N--CA 1.44 -1.088 0 CA-C-N 115.997 -0.547 . . . . 0.3 112.438 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.432 ' HB2' ' O ' ' A' ' 66' ' ' LEU . 33.1 m-20 -78.44 -26.05 46.14 Favored 'General case' 0 C--N 1.309 -1.166 0 C-N-CA 120.242 -0.583 . . . . 1.79 111.64 179.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.693 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -62.53 -53.14 59.16 Favored 'General case' 0 CA--C 1.515 -0.381 0 N-CA-C 108.154 -1.054 . . . . 0.29 108.154 172.505 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.417 ' HA ' HG21 ' A' ' 7' ' ' ILE . 88.2 m -48.71 -45.43 39.34 Favored 'General case' 0 C--O 1.192 -1.942 0 CA-C-N 115.021 -0.991 . . . . 0.31 111.489 172.323 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -52.03 -39.43 59.53 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 118.248 0.476 . . . . 2.93 112.06 177.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.475 ' HB2' HD21 ' A' ' 66' ' ' LEU . 49.5 t80 -72.15 -52.63 15.72 Favored 'General case' 0 C--O 1.195 -1.802 0 N-CA-C 107.974 -1.121 . . . . 0.53 107.974 -178.068 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.528 HG12 HD11 ' A' ' 58' ' ' ILE . 58.7 mt -62.31 -51.02 77.42 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.683 0 C-N-CA 124.102 0.961 . . . . 0.27 110.866 -177.148 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.506 ' HA ' HE21 ' A' ' 80' ' ' GLN . 61.0 tp -54.7 -35.24 63.4 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 122.963 0.505 . . . . 1.15 111.308 -179.586 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -89.32 -32.38 17.37 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-O 121.603 0.716 . . . . 0.67 111.631 -178.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 25.1 m-70 -93.63 5.24 52.28 Favored 'General case' 0 C--N 1.314 -0.943 0 C-N-CA 124.209 1.003 . . . . 1.53 113.125 -176.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.506 HE21 ' HA ' ' A' ' 77' ' ' LEU . 84.9 mm-40 -41.69 134.4 2.49 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 124.35 1.06 . . . . 0.89 111.337 175.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.526 0 N-CA-C 109.506 -0.553 . . . . 2.36 109.506 -178.734 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.506 ' O ' HG13 ' A' ' 7' ' ' ILE . 1.3 p . . . . . 0 N--CA 1.414 -2.24 0 N-CA-C 107.397 -1.334 . . . . 1.05 107.397 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.512 ' HA ' HD12 ' A' ' 7' ' ' ILE . 24.7 mt-30 -54.46 -29.35 49.49 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-O 121.854 0.835 . . . . 1.25 110.354 -177.599 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.417 ' CD ' ' H ' ' A' ' 5' ' ' GLU . 2.3 mp0 -65.14 -41.09 95.1 Favored 'General case' 0 C--N 1.305 -1.354 0 CA-C-N 114.223 -1.353 . . . . 2.3 109.817 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -71.6 -30.89 66.32 Favored 'General case' 0 C--O 1.216 -0.683 0 N-CA-C 108.934 -0.765 . . . . 1.92 108.934 -178.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.544 ' HB ' HG23 ' A' ' 73' ' ' THR . 31.2 mt -68.6 -57.48 8.8 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.639 0 N-CA-C 108.236 -1.024 . . . . 0.29 108.236 178.643 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.734 HG21 HD11 ' A' ' 28' ' ' LEU . 54.4 t -56.56 -42.35 75.66 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.028 0 CA-C-N 116.085 -0.507 . . . . 0.32 111.363 176.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.64 -34.03 76.96 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 120.879 0.371 . . . . 0.32 110.578 177.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.78 -42.67 92.95 Favored Glycine 0 CA--C 1.492 -1.368 0 N-CA-C 110.054 -1.218 . . . . 0.31 110.054 176.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.554 ' O ' HG23 ' A' ' 15' ' ' VAL . 96.2 mt -60.29 -49.33 78.01 Favored 'General case' 0 C--N 1.309 -1.173 0 N-CA-C 109.226 -0.657 . . . . 0.29 109.226 174.68 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.445 ' HA ' HG21 ' A' ' 26' ' ' VAL . . . -52.42 -48.42 65.76 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 124.042 0.937 . . . . 0.24 111.975 -179.608 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -62.5 -39.0 92.11 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.842 0.354 . . . . 1.46 111.85 -178.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.596 HG22 HG23 ' A' ' 46' ' ' VAL . 95.2 mt -65.39 -50.67 71.45 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.17 0 CA-C-N 115.546 -0.752 . . . . 0.41 109.534 177.069 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 11' ' ' LEU . 86.7 t -55.91 -49.82 72.76 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.883 0 CA-C-N 116.032 -0.531 . . . . 0.29 110.148 179.283 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.499 ' HB2' ' HB ' ' A' ' 23' ' ' VAL . 2.9 t-20 -61.11 -31.23 70.93 Favored 'General case' 0 C--N 1.304 -1.403 0 CA-C-O 121.339 0.59 . . . . 0.64 110.892 -177.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -83.5 -42.91 16.34 Favored 'General case' 0 CA--C 1.557 1.249 0 CA-C-N 115.56 -0.746 . . . . 2.0 112.442 -177.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.425 HG21 ' HB2' ' A' ' 45' ' ' GLU . 91.1 mt -94.35 -53.33 8.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 CA-C-O 121.3 0.571 . . . . 0.28 111.43 -177.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.566 ' HA ' HG21 ' A' ' 38' ' ' VAL . . . -75.06 -34.22 61.79 Favored 'General case' 0 C--N 1.306 -1.303 0 CA-C-O 121.357 0.599 . . . . 0.34 110.257 -176.651 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.74 8.81 83.95 Favored Glycine 0 N--CA 1.448 -0.501 0 N-CA-C 111.139 -0.784 . . . . 0.46 111.139 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.506 HG21 ' HB3' ' A' ' 36' ' ' LEU . 48.3 mm -85.86 138.78 35.1 Favored Pre-proline 0 C--N 1.306 -1.315 0 N-CA-C 108.176 -1.046 . . . . 0.42 108.176 -179.235 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.43 ' HB2' ' HB2' ' A' ' 25' ' ' ASP . 7.6 Cg_exo -33.07 119.78 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.104 0 C-N-CA 125.173 3.915 . . . . 0.41 114.083 174.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.499 ' HB ' ' HB2' ' A' ' 16' ' ' ASN . 12.4 p -68.47 -13.41 17.07 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-O 123.074 1.416 . . . . 0.69 109.802 -178.505 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -97.76 -18.04 19.03 Favored 'General case' 0 C--N 1.28 -2.445 0 CA-C-N 113.163 -1.835 . . . . 2.34 110.932 -177.084 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.618 ' O ' ' HE3' ' A' ' 30' ' ' LYS . 13.9 t70 -90.9 -2.93 57.68 Favored 'General case' 0 C--O 1.214 -0.794 0 CA-C-O 122.193 0.997 . . . . 0.69 108.917 -176.317 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.445 HG21 ' HA ' ' A' ' 12' ' ' ALA . 99.5 t -77.75 73.37 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.5 0 CA-C-O 122.671 1.224 . . . . 0.4 109.122 178.246 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.783 ' O ' HG21 ' A' ' 69' ' ' VAL . 81.2 mttt -91.57 -175.48 4.21 Favored 'General case' 0 C--O 1.199 -1.565 0 N-CA-C 105.998 -1.853 . . . . 1.67 105.998 176.252 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.734 HD11 HG21 ' A' ' 8' ' ' VAL . 10.5 mp -90.25 1.78 56.13 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 115.269 1.581 . . . . 1.08 115.269 -175.625 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -102.35 7.29 40.55 Favored 'General case' 0 C--N 1.298 -1.655 0 CA-C-O 122.897 1.332 . . . . 2.11 108.809 179.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.618 ' HE3' ' O ' ' A' ' 25' ' ' ASP . 70.2 mmtt -85.93 114.31 22.74 Favored 'General case' 0 C--N 1.308 -1.222 0 CA-C-N 114.408 -1.269 . . . . 1.02 113.087 -175.499 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.3 m -91.26 27.48 1.9 Allowed 'General case' 0 C--N 1.303 -1.441 0 C-N-CA 123.504 0.722 . . . . 1.16 112.212 178.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.633 ' HA ' HD12 ' A' ' 36' ' ' LEU . 71.7 m-85 57.53 -109.75 0.5 Allowed 'General case' 0 N--CA 1.462 0.138 0 N-CA-C 113.989 1.107 . . . . 0.36 113.989 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -74.71 68.38 1.68 Allowed 'General case' 0 C--N 1.315 -0.921 0 CA-C-O 121.91 0.862 . . . . 0.47 111.686 179.178 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -172.91 -59.37 0.02 OUTLIER 'General case' 0 C--N 1.311 -1.108 0 CA-C-N 114.088 -1.415 . . . . 0.73 107.778 -177.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -93.54 -50.6 5.34 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.261 -0.882 . . . . 1.46 109.103 -178.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.633 HD12 ' HA ' ' A' ' 32' ' ' PHE . 87.2 mt -71.05 -53.23 15.42 Favored 'General case' 0 C--O 1.219 -0.55 0 N-CA-C 108.31 -0.996 . . . . 0.58 108.31 177.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.5 t70 67.99 95.9 0.06 Allowed 'General case' 0 CA--C 1.505 -0.753 0 CA-C-N 114.71 -1.132 . . . . 1.14 112.165 175.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.661 HG13 ' H ' ' A' ' 39' ' ' ASP . 2.8 p -119.48 -88.3 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.413 -2.278 0 CA-C-N 115.233 -0.894 . . . . 1.79 113.178 179.251 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.661 ' H ' HG13 ' A' ' 38' ' ' VAL . 9.0 t70 -166.46 -174.69 2.93 Favored 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 105.931 -1.878 . . . . 0.79 105.931 -172.129 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 41.3 t -93.79 -38.0 11.49 Favored 'General case' 0 C--N 1.277 -2.551 0 C-N-CA 123.575 0.75 . . . . 1.23 109.233 -177.358 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 76.6 mt -73.53 -37.34 65.66 Favored 'General case' 0 C--N 1.307 -1.271 0 CA-C-N 115.184 -0.916 . . . . 1.02 110.171 -173.33 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.2 m -74.2 -15.32 61.01 Favored 'General case' 0 N--CA 1.433 -1.317 0 CA-C-N 114.881 -1.054 . . . . 1.02 110.367 -179.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.568 ' O ' HG12 ' A' ' 46' ' ' VAL . 31.1 tpp -81.05 -44.55 17.87 Favored 'General case' 0 N--CA 1.427 -1.589 0 CA-C-N 115.766 -0.652 . . . . 0.55 109.529 179.295 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 58.3 t -63.65 -41.11 91.5 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.336 0 N-CA-C 109.186 -0.672 . . . . 0.56 109.186 179.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.425 ' HB2' HG21 ' A' ' 18' ' ' ILE . 42.8 mt-10 -73.8 -29.88 62.42 Favored 'General case' 0 N--CA 1.425 -1.687 0 C-N-CA 120.437 -0.505 . . . . 2.08 112.054 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.596 HG23 HG22 ' A' ' 14' ' ' ILE . 4.7 p -68.65 -36.37 74.17 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 N-CA-C 109.329 -0.619 . . . . 0.52 109.329 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 43' ' ' MET . 86.8 t -62.0 -63.17 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-N 114.645 -1.162 . . . . 0.38 108.557 173.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 90.4 t -49.04 -46.7 17.23 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.205 0 CA-C-N 115.831 -0.622 . . . . 0.58 112.521 177.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.89 -33.96 77.03 Favored 'General case' 0 C--N 1.315 -0.925 0 O-C-N 121.892 -0.505 . . . . 0.42 112.021 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.85 -38.54 91.22 Favored 'General case' 0 C--O 1.244 0.774 0 N-CA-C 109.609 -0.515 . . . . 0.38 109.609 178.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.67 ' HG2' ' H ' ' A' ' 58' ' ' ILE . 34.6 mt-10 -59.16 -47.43 85.32 Favored 'General case' 0 C--O 1.202 -1.417 0 CA-C-N 115.37 -0.832 . . . . 1.36 109.356 178.304 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -75.45 -28.23 59.22 Favored 'General case' 0 C--N 1.301 -1.538 0 CA-C-N 114.839 -1.073 . . . . 2.09 111.683 -175.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.5 tpm_? -74.53 -43.09 57.46 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.722 0.772 . . . . 2.75 109.815 -178.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.501 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 43.3 m-85 -101.28 -2.61 30.68 Favored 'General case' 0 C--N 1.305 -1.357 0 CA-C-N 115.303 -0.862 . . . . 0.73 111.55 -175.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.6 t70 70.84 -0.22 3.09 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 125.727 1.611 . . . . 2.02 111.584 178.322 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.59 ' O ' ' HA ' ' A' ' 51' ' ' GLU . 3.2 p -100.61 115.26 41.72 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-N 115.68 -0.691 . . . . 1.61 110.062 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.425 ' O ' ' HD3' ' A' ' 59' ' ' PRO . 31.2 mmmt -64.05 102.13 0.46 Allowed 'General case' 0 C--N 1.3 -1.544 0 CA-C-N 115.354 -0.839 . . . . 1.67 111.56 178.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.67 ' H ' ' HG2' ' A' ' 51' ' ' GLU . 50.7 mt -99.25 100.71 10.84 Favored Pre-proline 0 C--N 1.296 -1.72 0 N-CA-C 106.394 -1.706 . . . . 0.49 106.394 175.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.545 ' HD2' ' HB2' ' A' ' 62' ' ' ASP . 14.8 Cg_exo -66.74 147.51 81.35 Favored 'Trans proline' 0 N--CA 1.439 -1.705 0 C-N-CA 121.696 1.597 . . . . 0.62 111.766 -176.686 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.479 ' O ' HG12 ' A' ' 63' ' ' VAL . 3.7 p30 -58.92 -21.11 57.29 Favored 'General case' 0 C--O 1.213 -0.844 0 C-N-CA 123.444 0.698 . . . . 2.0 110.627 175.191 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.426 ' HA ' ' HE3' ' A' ' 64' ' ' LYS . 17.6 t70 -83.36 -35.22 25.31 Favored 'General case' 0 C--N 1.313 -0.979 0 C-N-CA 120.672 -0.411 . . . . 2.09 111.36 178.118 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.545 ' HB2' ' HD2' ' A' ' 59' ' ' PRO . 4.7 m-20 -78.44 -31.86 48.27 Favored 'General case' 0 CA--C 1.48 -1.723 0 O-C-N 122.12 -0.363 . . . . 1.58 111.3 177.016 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.513 HG21 HG22 ' A' ' 47' ' ' VAL . 2.5 p -59.83 -22.52 24.12 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.147 0 CA-C-O 121.605 0.717 . . . . 0.69 110.925 -178.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.426 ' HE3' ' HA ' ' A' ' 61' ' ' ASP . 94.1 mttt -61.84 -33.52 74.31 Favored 'General case' 0 N--CA 1.439 -0.98 0 CA-C-N 114.466 -1.243 . . . . 2.44 112.18 179.161 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 9.7 p-10 -88.54 -9.72 51.35 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 119.286 -0.966 . . . . 1.94 110.193 -178.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.858 HD13 ' HA ' ' A' ' 72' ' ' ALA . 51.0 mt -80.31 -61.96 1.82 Allowed 'General case' 0 N--CA 1.437 -1.108 0 N-CA-C 107.795 -1.187 . . . . 1.67 107.795 178.65 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.663 ' HA ' ' HE2' ' A' ' 67' ' ' LYS . 0.0 OUTLIER 69.14 -35.36 0.3 Allowed 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.184 1.393 . . . . 3.18 114.303 178.275 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 36.9 p -114.21 169.79 8.76 Favored 'General case' 0 C--N 1.301 -1.536 0 CA-C-O 121.583 0.706 . . . . 0.51 112.578 -178.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.783 HG21 ' O ' ' A' ' 27' ' ' LYS . 3.4 m -61.93 -44.66 99.2 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.111 0 CA-C-N 113.895 -1.502 . . . . 0.35 109.438 171.59 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.462 ' N ' HG23 ' A' ' 69' ' ' VAL . . . -61.5 -49.35 77.9 Favored Glycine 0 N--CA 1.434 -1.497 0 CA-C-N 115.144 -0.935 . . . . 0.3 112.188 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.426 ' HB3' ' HA ' ' A' ' 66' ' ' LEU . 0.9 OUTLIER -69.36 -29.26 67.01 Favored 'General case' 0 CA--C 1.509 -0.627 0 CA-C-N 117.396 0.598 . . . . 1.79 111.967 178.434 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.858 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -60.94 -59.29 5.61 Favored 'General case' 0 C--O 1.222 -0.363 0 N-CA-C 108.463 -0.94 . . . . 0.29 108.463 174.529 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.544 HG23 ' HB ' ' A' ' 7' ' ' ILE . 76.7 m -48.31 -48.35 36.06 Favored 'General case' 0 C--O 1.189 -2.103 0 C-N-CA 123.938 0.895 . . . . 0.31 111.835 173.411 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.404 ' HB3' ' HA ' ' A' ' 71' ' ' ASP . 84.5 tttt -51.83 -42.74 62.79 Favored 'General case' 0 C--N 1.307 -1.257 0 C-N-CA 125.424 1.489 . . . . 2.93 111.319 177.118 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 57.8 t80 -70.08 -47.43 61.96 Favored 'General case' 0 C--O 1.212 -0.872 0 N-CA-C 108.854 -0.795 . . . . 0.53 108.854 179.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.534 HG12 HD11 ' A' ' 58' ' ' ILE . 67.7 mt -63.66 -45.83 96.39 Favored 'Isoleucine or valine' 0 C--O 1.194 -1.838 0 CA-C-N 114.983 -1.008 . . . . 0.27 110.532 -178.161 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.452 ' HA ' HE21 ' A' ' 80' ' ' GLN . 48.4 tp -57.36 -32.27 66.58 Favored 'General case' 0 C--N 1.313 -1.004 0 C-N-CA 123.826 0.85 . . . . 1.15 110.633 179.516 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -88.23 -36.21 16.88 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 121.687 0.756 . . . . 0.67 111.447 179.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.456 ' HB3' HG21 ' A' ' 56' ' ' VAL . 15.9 m-70 -92.46 5.35 51.1 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 114.033 1.123 . . . . 1.53 114.033 -175.199 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.456 ' NE2' HG22 ' A' ' 76' ' ' ILE . 79.8 mm-40 -33.49 130.69 0.25 Allowed 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 125.976 1.711 . . . . 0.89 114.716 178.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.482 0 N-CA-C 107.873 -1.158 . . . . 2.36 107.873 179.187 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.455 ' O ' HG13 ' A' ' 7' ' ' ILE . 19.1 p . . . . . 0 N--CA 1.426 -1.643 0 N-CA-C 108.188 -1.042 . . . . 1.05 108.188 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.401 ' HA ' HD12 ' A' ' 7' ' ' ILE . 52.5 mt-30 -43.51 -37.67 2.55 Favored 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 114.144 1.164 . . . . 1.25 114.144 -176.68 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -69.03 -31.0 69.47 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 111.68 0.252 . . . . 2.3 111.68 -178.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.6 tp10 -73.8 -34.1 64.49 Favored 'General case' 0 C--N 1.314 -0.976 0 N-CA-C 108.362 -0.977 . . . . 1.92 108.362 -179.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.533 ' HB ' HG23 ' A' ' 73' ' ' THR . 18.3 mt -67.76 -56.4 13.23 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.382 0 CA-C-N 114.6 -1.182 . . . . 0.29 108.307 179.019 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.786 HG21 HD11 ' A' ' 28' ' ' LEU . 57.5 t -54.16 -41.04 49.4 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.017 0 CA-C-N 115.99 -0.55 . . . . 0.32 111.103 176.222 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.58 -33.64 76.38 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-O 121.163 0.506 . . . . 0.32 110.245 177.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.06 -43.48 90.5 Favored Glycine 0 N--CA 1.436 -1.314 0 N-CA-C 110.108 -1.197 . . . . 0.31 110.108 176.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.471 ' O ' HG23 ' A' ' 15' ' ' VAL . 96.6 mt -59.63 -48.44 81.64 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 109.161 -0.681 . . . . 0.29 109.161 176.111 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.34 -44.06 71.78 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 114.835 -1.075 . . . . 0.24 112.258 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -68.25 -37.71 81.04 Favored 'General case' 0 CA--C 1.517 -0.326 0 C-N-CA 119.953 -0.699 . . . . 1.46 111.941 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 95.4 mt -62.86 -49.18 84.68 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.186 0 N-CA-C 109.161 -0.681 . . . . 0.41 109.161 176.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 11' ' ' LEU . 96.5 t -57.9 -48.96 82.67 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.263 0 CA-C-N 115.718 -0.673 . . . . 0.29 110.184 178.025 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -63.53 -32.59 74.09 Favored 'General case' 0 C--N 1.302 -1.498 0 CA-C-O 121.168 0.508 . . . . 0.64 111.509 -179.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -74.46 -44.56 51.07 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 115.885 -0.598 . . . . 2.0 110.725 -179.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.689 HG21 ' HB2' ' A' ' 45' ' ' GLU . 72.8 mt -98.24 -52.73 8.69 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 N-CA-C 113.049 0.759 . . . . 0.28 113.049 -173.381 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.663 ' HB2' HG13 ' A' ' 38' ' ' VAL . . . -74.89 -40.52 60.87 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 109.135 -0.691 . . . . 0.34 109.135 179.556 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.4 3.31 61.44 Favored Glycine 0 N--CA 1.451 -0.366 0 CA-C-N 115.046 -0.979 . . . . 0.46 111.14 -179.165 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.469 ' HA ' ' HD2' ' A' ' 22' ' ' PRO . 50.6 mm -81.8 137.31 47.26 Favored Pre-proline 0 C--N 1.311 -1.074 0 C-N-CA 123.641 0.776 . . . . 0.42 110.286 -176.477 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.469 ' HD2' ' HA ' ' A' ' 21' ' ' ILE . 6.3 Cg_exo -33.91 128.71 0.17 Allowed 'Trans proline' 0 C--N 1.359 1.103 1 C-N-CA 125.729 4.286 . . . . 0.41 115.426 175.137 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 66.5 t -57.45 -37.55 58.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 113.825 -1.534 . . . . 0.69 108.284 178.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.562 ' O ' ' HE2' ' A' ' 27' ' ' LYS . 9.3 pt-20 -97.83 11.05 38.57 Favored 'General case' 0 N--CA 1.41 -2.451 0 N-CA-C 114.915 1.45 . . . . 2.34 114.915 -176.371 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.515 ' O ' ' HE3' ' A' ' 30' ' ' LYS . 17.8 t70 -91.74 -12.87 32.7 Favored 'General case' 0 C--O 1.211 -0.95 0 N-CA-C 105.679 -1.971 . . . . 0.69 105.679 169.613 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 50.7 t -80.24 78.85 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.049 0 CA-C-N 113.64 -1.618 . . . . 0.4 109.34 179.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.733 ' O ' HG21 ' A' ' 69' ' ' VAL . 74.2 mmtt -92.91 -160.55 0.76 Allowed 'General case' 0 C--O 1.2 -1.507 0 N-CA-C 105.996 -1.853 . . . . 1.67 105.996 175.242 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.786 HD11 HG21 ' A' ' 8' ' ' VAL . 10.9 mp -104.71 10.85 34.56 Favored 'General case' 0 N--CA 1.485 1.288 0 CA-C-N 119.275 0.943 . . . . 1.08 112.624 179.461 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -110.64 13.8 22.45 Favored 'General case' 0 C--N 1.28 -2.427 0 N-CA-C 108.014 -1.106 . . . . 2.11 108.014 -179.235 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.596 ' O ' HG22 ' A' ' 69' ' ' VAL . 66.1 mmtt -105.62 118.65 37.13 Favored 'General case' 0 N--CA 1.423 -1.78 0 CA-C-N 114.449 -1.25 . . . . 1.02 114.223 -170.386 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.701 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 14.6 m -91.23 112.39 24.28 Favored 'General case' 0 N--CA 1.394 -3.246 0 N-CA-C 106.351 -1.722 . . . . 1.16 106.351 170.661 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.779 ' HA ' HD12 ' A' ' 36' ' ' LEU . 97.4 m-85 -34.57 -83.09 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.867 1.267 . . . . 0.36 113.911 177.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.508 HG23 ' HB ' ' A' ' 38' ' ' VAL . 0.7 OUTLIER -79.79 56.16 2.22 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 114.843 1.423 . . . . 0.47 114.843 177.569 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.701 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 14.3 t70 -158.51 -66.15 0.09 Allowed 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 114.768 -1.106 . . . . 0.73 110.166 177.127 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -90.99 -44.44 9.33 Favored 'General case' 0 CA--C 1.501 -0.913 0 CA-C-N 116.266 -0.425 . . . . 1.46 109.984 -175.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.779 HD12 ' HA ' ' A' ' 32' ' ' PHE . 96.6 mt -69.71 -40.02 76.53 Favored 'General case' 0 CA--C 1.511 -0.531 0 N-CA-C 109.225 -0.657 . . . . 0.58 109.225 178.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.7 t70 68.92 83.63 0.16 Allowed 'General case' 0 CA--C 1.509 -0.628 0 C-N-CA 124.897 1.279 . . . . 1.14 109.718 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.663 HG13 ' HB2' ' A' ' 19' ' ' ALA . 95.9 t -91.15 -89.33 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.298 -1.671 0 CA-C-N 114.222 -1.354 . . . . 1.79 109.671 -176.533 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.468 ' HB3' ' HB3' ' A' ' 42' ' ' SER . 17.1 t70 164.59 177.95 0.02 OUTLIER 'General case' 0 CA--C 1.504 -0.809 0 N-CA-C 103.147 -2.909 . . . . 0.79 103.147 -179.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.441 ' O ' HG23 ' A' ' 44' ' ' VAL . 23.9 t -93.91 -37.13 11.86 Favored 'General case' 0 C--N 1.27 -2.85 0 N-CA-C 109.14 -0.689 . . . . 1.23 109.14 -176.362 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 97.0 mt -78.5 -32.66 48.25 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 108.469 -0.938 . . . . 1.02 108.469 -177.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.553 ' OG ' HG22 ' A' ' 18' ' ' ILE . 24.7 t -70.94 -34.99 72.02 Favored 'General case' 0 N--CA 1.419 -1.976 0 CA-C-N 113.895 -1.502 . . . . 1.02 107.868 178.61 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.505 ' HB2' ' HE2' ' A' ' 43' ' ' MET . 26.4 tpp -64.21 -43.38 95.19 Favored 'General case' 0 C--O 1.215 -0.732 0 CA-C-N 116.094 -0.503 . . . . 0.55 110.835 179.28 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 40' ' ' SER . 57.4 t -59.04 -37.72 69.62 Favored 'Isoleucine or valine' 0 C--O 1.236 0.379 0 N-CA-C 109.611 -0.515 . . . . 0.56 109.611 178.079 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.689 ' HB2' HG21 ' A' ' 18' ' ' ILE . 44.0 mt-10 -68.05 -43.45 78.65 Favored 'General case' 0 N--CA 1.433 -1.289 0 N-CA-C 109.631 -0.507 . . . . 2.08 109.631 177.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 42' ' ' SER . 99.3 t -56.28 -49.72 75.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 O-C-N 123.747 0.655 . . . . 0.52 109.641 177.591 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.619 HG13 HG21 ' A' ' 63' ' ' VAL . 76.8 t -51.88 -63.27 0.47 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.617 0 O-C-N 123.871 0.732 . . . . 0.38 110.075 176.641 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 92.3 t -53.32 -46.0 56.97 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.488 0 N-CA-C 112.346 0.498 . . . . 0.58 112.346 178.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.37 -32.63 74.32 Favored 'General case' 0 C--N 1.321 -0.643 0 O-C-N 121.96 -0.462 . . . . 0.42 112.054 -178.23 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.69 -39.59 89.07 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-O 120.98 0.419 . . . . 0.38 110.479 178.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.693 ' HG2' ' H ' ' A' ' 58' ' ' ILE . 41.7 mt-10 -63.79 -32.41 73.91 Favored 'General case' 0 C--O 1.202 -1.4 0 CA-C-N 115.461 -0.79 . . . . 1.36 110.454 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -83.27 -39.69 20.53 Favored 'General case' 0 C--N 1.292 -1.902 0 CA-C-O 121.577 0.703 . . . . 2.09 109.723 -177.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.3 tpm_? -68.55 -39.16 81.2 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.147 -0.933 . . . . 2.75 110.07 -175.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.491 ' CE2' HD13 ' A' ' 76' ' ' ILE . 48.2 m-85 -108.02 -1.42 20.54 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 115.455 -0.793 . . . . 0.73 112.261 -176.161 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.7 t70 72.58 -13.9 0.61 Allowed 'General case' 0 N--CA 1.497 1.883 0 C-N-CA 124.535 1.134 . . . . 2.02 113.191 178.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.577 ' O ' ' HA ' ' A' ' 51' ' ' GLU . 7.6 p -94.41 124.34 46.86 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.204 0 O-C-N 121.86 -0.525 . . . . 1.61 110.496 -177.16 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -71.8 126.03 28.67 Favored 'General case' 0 C--N 1.304 -1.401 0 CA-C-N 115.288 -0.869 . . . . 1.67 110.261 -178.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.742 HG22 HG23 ' A' ' 63' ' ' VAL . 28.7 mt -136.85 93.23 13.84 Favored Pre-proline 0 C--N 1.301 -1.543 0 N-CA-C 106.396 -1.705 . . . . 0.49 106.396 -178.341 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -73.58 156.53 49.44 Favored 'Trans proline' 0 N--CA 1.447 -1.256 0 C-N-CA 121.593 1.528 . . . . 0.62 111.458 -179.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.465 ' HA ' ' HB ' ' A' ' 63' ' ' VAL . 3.1 t70 -41.88 -39.29 1.77 Allowed 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 124.772 1.229 . . . . 2.0 111.949 175.112 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -62.1 -38.7 89.88 Favored 'General case' 0 C--N 1.309 -1.157 0 CA-C-N 114.902 -1.045 . . . . 2.09 111.755 -176.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -85.94 -33.35 21.19 Favored 'General case' 0 N--CA 1.485 1.294 0 CA-C-O 121.618 0.723 . . . . 1.58 109.424 176.683 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.742 HG23 HG22 ' A' ' 58' ' ' ILE . 1.4 t -56.49 -27.4 24.81 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.396 0 CA-C-N 114.589 -1.187 . . . . 0.69 111.553 176.357 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.443 ' HG2' ' O ' ' A' ' 60' ' ' ASP . 60.5 mmtt -58.58 -28.9 65.99 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.937 -0.574 . . . . 2.44 111.655 177.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -85.65 -11.61 53.42 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-O 121.431 0.634 . . . . 1.94 109.777 -175.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.577 HD13 ' HA ' ' A' ' 72' ' ' ALA . 67.5 mt -76.63 -60.48 2.33 Favored 'General case' 0 C--O 1.204 -1.3 0 C-N-CA 120.608 -0.437 . . . . 1.67 111.674 -175.617 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . 0.404 0.1 OUTLIER 57.85 -17.29 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.897 0 N-CA-C 117.099 2.259 . . . . 3.18 117.099 -179.365 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 22.5 p -140.73 170.29 16.04 Favored 'General case' 0 C--O 1.241 0.613 0 CA-C-O 121.417 0.627 . . . . 0.51 111.56 175.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.733 HG21 ' O ' ' A' ' 27' ' ' LYS . 4.0 m -62.37 -44.35 99.12 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 CA-C-N 114.575 -1.193 . . . . 0.35 110.619 174.023 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.452 ' N ' HG23 ' A' ' 69' ' ' VAL . . . -59.04 -45.8 94.7 Favored Glycine 0 N--CA 1.442 -0.922 0 CA-C-N 115.452 -0.794 . . . . 0.3 112.676 -179.685 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.431 ' HA ' ' HB3' ' A' ' 74' ' ' LYS . 1.4 m-20 -71.11 -34.54 71.19 Favored 'General case' 0 CA--C 1.494 -1.207 0 CA-C-N 117.234 0.517 . . . . 1.79 111.698 178.017 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.577 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -55.03 -59.12 5.18 Favored 'General case' 0 CA--C 1.516 -0.357 0 N-CA-C 108.061 -1.088 . . . . 0.29 108.061 175.053 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.533 HG23 ' HB ' ' A' ' 7' ' ' ILE . 51.4 m -48.27 -51.66 24.76 Favored 'General case' 0 C--O 1.192 -1.921 0 C-N-CA 123.993 0.917 . . . . 0.31 111.846 171.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.431 ' HB3' ' HA ' ' A' ' 71' ' ' ASP . 50.4 tptt -50.62 -41.57 55.1 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.249 0.62 . . . . 2.93 111.763 178.77 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.421 ' O ' ' HB2' ' A' ' 79' ' ' HIS . 45.4 t80 -69.27 -53.92 17.28 Favored 'General case' 0 C--O 1.202 -1.404 0 N-CA-C 107.924 -1.139 . . . . 0.53 107.924 -178.386 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.491 HD13 ' CE2' ' A' ' 54' ' ' PHE . 71.5 mt -54.23 -54.82 18.19 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.315 0 C-N-CA 124.447 1.099 . . . . 0.27 110.592 178.609 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 61.5 tp -48.57 -48.61 38.69 Favored 'General case' 0 C--N 1.318 -0.794 0 C-N-CA 124.3 1.04 . . . . 1.15 111.459 -179.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -84.54 -34.56 23.25 Favored 'General case' 0 C--N 1.302 -1.472 0 CA-C-N 115.223 -0.899 . . . . 0.67 112.604 -174.178 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.421 ' HB2' ' O ' ' A' ' 75' ' ' TYR . 36.3 m-70 -96.24 -7.6 35.13 Favored 'General case' 0 C--N 1.305 -1.351 0 N-CA-C 115.086 1.513 . . . . 1.53 115.086 -171.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -70.69 172.85 7.99 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 114.441 1.274 . . . . 0.89 114.441 -173.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.428 -1.556 0 CA-C-N 114.482 -1.235 . . . . 2.36 110.063 -175.481 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.456 ' O ' HG13 ' A' ' 7' ' ' ILE . 4.6 m . . . . . 0 N--CA 1.418 -2.04 0 N-CA-C 106.209 -1.775 . . . . 1.05 106.209 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.562 ' HA ' HD12 ' A' ' 7' ' ' ILE . 17.6 mt-30 -45.02 -42.5 8.45 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 114.124 1.157 . . . . 1.25 114.124 -172.337 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -65.59 -41.32 92.96 Favored 'General case' 0 C--O 1.2 -1.551 0 N-CA-C 110.247 -0.279 . . . . 2.3 110.247 179.112 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.436 ' HA ' ' HB3' ' A' ' 9' ' ' ALA . 35.7 tt0 -68.86 -21.93 64.24 Favored 'General case' 0 C--N 1.313 -1.018 0 C-N-CA 123.503 0.721 . . . . 1.92 110.402 179.113 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.562 HD12 ' HA ' ' A' ' 4' ' ' GLN . 41.4 mt -69.79 -59.1 3.89 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.824 0 N-CA-C 106.917 -1.512 . . . . 0.29 106.917 174.276 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.598 ' HA ' HD12 ' A' ' 11' ' ' LEU . 66.3 t -56.6 -41.54 73.89 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.067 0 CA-C-N 115.408 -0.815 . . . . 0.32 110.35 177.277 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.436 ' HB3' ' HA ' ' A' ' 6' ' ' GLU . . . -63.72 -38.88 92.77 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 122.938 0.495 . . . . 0.32 110.723 176.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.75 -48.02 86.7 Favored Glycine 0 CA--C 1.495 -1.167 0 N-CA-C 109.819 -1.312 . . . . 0.31 109.819 175.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.598 HD12 ' HA ' ' A' ' 8' ' ' VAL . 97.6 mt -56.24 -46.32 79.63 Favored 'General case' 0 N--CA 1.436 -1.134 0 C-N-CA 123.524 0.73 . . . . 0.29 109.659 175.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.69 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -58.21 -43.58 87.71 Favored 'General case' 0 C--N 1.315 -0.926 0 C-N-CA 124.111 0.964 . . . . 0.24 112.248 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.502 ' HA ' HG22 ' A' ' 23' ' ' VAL . 10.7 pt-20 -73.33 -28.73 62.23 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 112.9 0.704 . . . . 1.46 112.9 -179.706 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 89.9 mt -67.81 -50.78 56.87 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.194 0 N-CA-C 108.183 -1.043 . . . . 0.41 108.183 172.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.665 HG12 ' HB ' ' A' ' 21' ' ' ILE . 84.2 t -60.24 -35.54 62.73 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.566 0 CA-C-N 115.462 -0.79 . . . . 0.29 110.691 177.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.492 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 3.9 t-20 -60.04 -39.17 85.01 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-O 121.077 0.465 . . . . 0.64 110.336 178.138 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -79.91 -52.07 8.33 Favored 'General case' 0 C--N 1.306 -1.293 0 CA-C-N 115.34 -0.845 . . . . 2.0 111.742 -176.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.69 HG22 ' HB3' ' A' ' 42' ' ' SER . 68.8 mt -82.16 -53.5 11.74 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 N-CA-C 112.094 0.405 . . . . 0.28 112.094 -174.397 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.763 ' HB2' HG13 ' A' ' 38' ' ' VAL . . . -77.74 -37.87 48.27 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.289 0.566 . . . . 0.34 110.045 -178.399 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.41 28.83 10.86 Favored Glycine 0 N--CA 1.446 -0.663 0 N-CA-C 110.797 -0.921 . . . . 0.46 110.797 -178.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.665 ' HB ' HG12 ' A' ' 15' ' ' VAL . 51.5 mm -108.47 126.81 28.71 Favored Pre-proline 0 C--N 1.316 -0.879 0 N-CA-C 109.541 -0.54 . . . . 0.42 109.541 -177.424 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.503 ' HD2' ' HA ' ' A' ' 21' ' ' ILE . 2.9 Cg_exo -34.93 135.49 0.15 Allowed 'Trans proline' 0 N--CA 1.457 -0.652 1 C-N-CA 125.481 4.121 . . . . 0.41 115.094 175.846 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.69 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 29.7 t -65.95 -5.12 2.66 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 CA-C-N 114.366 -1.288 . . . . 0.69 109.318 177.309 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -105.2 -20.46 13.5 Favored 'General case' 0 N--CA 1.422 -1.869 0 CA-C-N 114.82 -1.082 . . . . 2.34 111.346 -178.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -84.15 -28.19 27.58 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 108.771 -0.826 . . . . 0.69 108.771 -175.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.514 HG22 HD13 ' A' ' 36' ' ' LEU . 88.2 t -84.82 81.4 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.262 0 CA-C-N 113.565 -1.652 . . . . 0.4 109.501 -178.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.589 ' O ' HG21 ' A' ' 69' ' ' VAL . 13.2 pttm -113.98 168.37 9.87 Favored 'General case' 0 C--N 1.289 -2.052 0 CA-C-N 114.139 -1.392 . . . . 1.67 108.21 176.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.76 ' HA ' HG23 ' A' ' 69' ' ' VAL . 4.9 tt -67.42 6.03 0.67 Allowed 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 115.408 1.633 . . . . 1.08 115.408 -166.779 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -110.58 13.59 22.56 Favored 'General case' 0 C--N 1.28 -2.436 0 O-C-N 121.117 -0.99 . . . . 2.11 108.922 179.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.558 ' HB3' ' HG ' ' A' ' 36' ' ' LEU . 70.2 mmtt -113.2 135.03 54.26 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 114.153 1.168 . . . . 1.02 114.153 -172.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.662 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 16.0 m -94.81 117.72 30.59 Favored 'General case' 0 N--CA 1.402 -2.851 0 N-CA-C 107.105 -1.443 . . . . 1.16 107.105 171.714 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.83 ' HA ' HD12 ' A' ' 36' ' ' LEU . 98.4 m-85 -39.89 -88.47 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 114.208 1.188 . . . . 0.36 114.208 177.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.655 HG23 ' HB ' ' A' ' 38' ' ' VAL . 0.3 OUTLIER -80.22 59.24 3.29 Favored 'General case' 0 C--N 1.313 -0.996 0 O-C-N 121.73 -0.606 . . . . 0.47 112.424 178.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -165.52 -65.97 0.03 OUTLIER 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 115.482 -0.781 . . . . 0.73 110.25 179.159 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -91.96 -49.9 5.99 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 116.14 -0.482 . . . . 1.46 109.789 -174.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.83 HD12 ' HA ' ' A' ' 32' ' ' PHE . 89.1 mt -65.84 -43.6 88.01 Favored 'General case' 0 CA--C 1.499 -1.015 0 CA-C-N 115.592 -0.731 . . . . 0.58 110.006 178.419 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.6 t70 73.57 94.38 0.08 Allowed 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 113.253 -1.794 . . . . 1.14 110.607 -175.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.763 HG13 ' HB2' ' A' ' 19' ' ' ALA . 69.8 t -87.62 -78.51 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.912 0 N-CA-C 107.258 -1.386 . . . . 1.79 107.258 177.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -179.58 -91.97 0.0 OUTLIER 'General case' 0 C--N 1.29 -1.987 0 CA-C-N 114.274 -1.33 . . . . 0.79 109.272 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.3 t 175.44 -59.04 0.01 OUTLIER 'General case' 0 N--CA 1.431 -1.39 0 N-CA-C 106.839 -1.541 . . . . 1.23 106.839 -176.046 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 84.2 mt -79.26 -32.57 43.75 Favored 'General case' 0 C--N 1.306 -1.313 0 CA-C-O 122.035 0.921 . . . . 1.02 108.863 -175.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.69 ' HB3' HG22 ' A' ' 18' ' ' ILE . 42.6 m -69.93 -14.63 62.81 Favored 'General case' 0 N--CA 1.432 -1.365 0 CA-C-N 114.028 -1.442 . . . . 1.02 110.664 178.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.475 ' HB2' ' HE2' ' A' ' 43' ' ' MET . 29.5 tpp -67.2 -46.79 72.84 Favored 'General case' 0 N--CA 1.429 -1.507 0 CA-C-N 116.181 -0.463 . . . . 0.55 111.681 -178.346 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 59.0 t -65.85 -23.87 33.13 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.13 0 CA-C-N 115.948 -0.569 . . . . 0.56 110.384 -177.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.594 ' HB2' HG21 ' A' ' 18' ' ' ILE . 5.7 mm-40 -72.39 -38.22 68.53 Favored 'General case' 0 N--CA 1.437 -1.08 0 N-CA-C 108.007 -1.109 . . . . 2.08 108.007 178.513 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 42' ' ' SER . 84.0 t -64.02 -46.6 93.43 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-N 115.267 -0.878 . . . . 0.52 108.944 178.04 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 43' ' ' MET . 60.2 t -52.55 -63.37 0.48 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.404 0 O-C-N 124.056 0.848 . . . . 0.38 109.137 177.277 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.423 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 91.8 t -48.38 -46.58 14.29 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.666 0 CA-C-N 115.937 -0.574 . . . . 0.58 112.222 174.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.87 -32.78 74.48 Favored 'General case' 0 C--O 1.241 0.607 0 N-CA-C 112.763 0.653 . . . . 0.42 112.763 -178.02 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.57 -35.48 81.13 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 122.423 0.289 . . . . 0.38 110.349 178.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.61 ' HG2' ' H ' ' A' ' 58' ' ' ILE . 31.8 mt-10 -59.67 -43.63 93.91 Favored 'General case' 0 C--O 1.219 -0.552 0 CA-C-O 121.422 0.629 . . . . 1.36 110.078 179.387 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -73.53 -33.59 64.8 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 115.026 -0.988 . . . . 2.09 111.198 -178.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 27.3 tpt180 -76.03 -35.24 59.58 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-O 121.097 0.475 . . . . 2.75 111.064 -174.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.493 ' CE2' HD13 ' A' ' 76' ' ' ILE . 35.5 m-85 -108.71 -3.9 17.45 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 112.686 0.625 . . . . 0.73 112.686 -175.176 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.3 t70 72.65 1.16 3.89 Favored 'General case' 0 N--CA 1.494 1.74 0 C-N-CA 125.39 1.476 . . . . 2.02 111.738 178.286 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.577 ' O ' ' HA ' ' A' ' 51' ' ' GLU . 3.2 p -104.0 121.63 55.8 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.333 0 CA-C-N 115.68 -0.691 . . . . 1.61 109.733 -179.583 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.458 ' HE2' ' OE2' ' A' ' 51' ' ' GLU . 14.7 mmmm -68.91 131.14 44.62 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 115.821 -0.627 . . . . 1.67 109.403 179.633 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.61 ' H ' ' HG2' ' A' ' 51' ' ' GLU . 37.5 mt -128.32 99.67 24.03 Favored Pre-proline 0 C--N 1.3 -1.566 0 N-CA-C 106.785 -1.561 . . . . 0.49 106.785 -177.438 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -77.03 141.41 20.99 Favored 'Trans proline' 0 N--CA 1.443 -1.445 0 C-N-CA 121.686 1.59 . . . . 0.62 113.365 -176.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.622 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 5.5 t70 -36.65 -37.69 0.14 Allowed 'General case' 0 C--O 1.205 -1.238 0 C-N-CA 126.1 1.76 . . . . 2.0 113.802 172.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -81.23 -30.67 34.12 Favored 'General case' 0 C--N 1.309 -1.17 0 N-CA-C 113.182 0.808 . . . . 2.09 113.182 -177.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -86.4 -32.19 21.04 Favored 'General case' 0 C--N 1.306 -1.287 0 N-CA-C 107.875 -1.157 . . . . 1.58 107.875 -178.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.585 HG12 ' O ' ' A' ' 60' ' ' ASP . 1.4 p -61.26 -21.6 25.3 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.01 0 CA-C-N 114.583 -1.19 . . . . 0.69 110.381 179.383 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.622 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 95.1 mttt -62.97 -10.39 13.52 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.155 0.982 . . . . 2.44 112.708 177.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -88.48 -24.13 23.06 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 108.405 -0.961 . . . . 1.94 108.405 178.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.83 HD13 ' HA ' ' A' ' 72' ' ' ALA . 12.1 mt -96.15 112.33 24.1 Favored 'General case' 0 N--CA 1.411 -2.377 0 N-CA-C 107.956 -1.127 . . . . 1.67 107.956 -173.796 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.547 ' HD2' ' OD2' ' A' ' 71' ' ' ASP 0.277 0.0 OUTLIER -110.38 -28.49 8.54 Favored 'General case' 0 C--N 1.287 -2.149 0 N-CA-C 113.06 0.763 . . . . 3.18 113.06 176.901 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.662 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 72.9 p -104.16 176.61 5.1 Favored 'General case' 0 N--CA 1.436 -1.154 0 C-N-CA 119.369 -0.932 . . . . 0.51 110.817 173.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.76 HG23 ' HA ' ' A' ' 28' ' ' LEU . 15.9 m -69.55 -33.64 57.92 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.587 0 CA-C-N 114.542 -1.208 . . . . 0.35 108.958 172.36 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -66.54 -36.78 91.93 Favored Glycine 0 N--CA 1.435 -1.418 0 CA-C-N 115.327 -0.852 . . . . 0.3 111.191 176.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.579 ' HB3' ' HA ' ' A' ' 66' ' ' LEU . 26.1 m-20 -67.36 -45.04 77.49 Favored 'General case' 0 CA--C 1.486 -1.504 0 N-CA-C 110.015 -0.365 . . . . 1.79 110.015 176.061 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.83 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -52.99 -59.13 4.93 Favored 'General case' 0 CA--C 1.515 -0.368 0 N-CA-C 108.629 -0.878 . . . . 0.29 108.629 176.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 44.0 m -48.56 -44.29 36.47 Favored 'General case' 0 C--O 1.19 -2.075 0 C-N-CA 123.854 0.862 . . . . 0.31 112.084 172.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.504 ' HB3' ' O ' ' A' ' 71' ' ' ASP . 26.2 ttpp -52.48 -39.63 61.43 Favored 'General case' 0 N--CA 1.484 1.255 0 CA-C-N 118.651 0.66 . . . . 2.93 111.317 176.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.606 ' HB2' HD21 ' A' ' 66' ' ' LEU . 60.5 t80 -76.76 -56.75 4.33 Favored 'General case' 0 C--O 1.2 -1.53 0 N-CA-C 108.194 -1.039 . . . . 0.53 108.194 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.551 HG22 ' NE2' ' A' ' 80' ' ' GLN . 70.0 mt -56.54 -52.01 58.33 Favored 'Isoleucine or valine' 0 C--O 1.188 -2.175 0 C-N-CA 124.662 1.185 . . . . 0.27 111.432 -175.779 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.576 ' HA ' HE21 ' A' ' 80' ' ' GLN . 35.1 tp -58.62 -34.31 71.01 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.084 0.553 . . . . 1.15 111.925 -178.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -88.04 -31.38 19.32 Favored 'General case' 0 C--N 1.299 -1.619 0 CA-C-O 122.212 1.006 . . . . 0.67 110.514 -177.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 22.5 m-70 -97.15 5.79 49.59 Favored 'General case' 0 C--N 1.295 -1.785 0 CA-C-N 114.663 -1.153 . . . . 1.53 112.391 -176.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.576 HE21 ' HA ' ' A' ' 77' ' ' LEU . 77.2 mm-40 -42.03 140.98 0.96 Allowed 'General case' 0 C--O 1.241 0.632 0 C-N-CA 124.394 1.078 . . . . 0.89 113.274 177.565 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.424 -1.77 0 CA-C-N 114.773 -1.103 . . . . 2.36 108.317 175.941 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.724 HG22 ' HG2' ' A' ' 5' ' ' GLU . 7.5 m . . . . . 0 N--CA 1.43 -1.448 0 N-CA-C 109.259 -0.645 . . . . 1.05 109.259 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -53.23 -36.82 61.47 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.811 0.845 . . . . 1.25 112.074 -176.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.724 ' HG2' HG22 ' A' ' 3' ' ' THR . 10.8 pt-20 -73.06 -26.56 61.33 Favored 'General case' 0 C--N 1.302 -1.495 0 CA-C-N 115.618 -0.719 . . . . 2.3 110.849 -178.643 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.427 ' HB3' ' O ' ' A' ' 3' ' ' THR . 33.9 tt0 -73.01 -35.75 66.86 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 107.769 -1.197 . . . . 1.92 107.769 177.641 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.586 HG13 ' O ' ' A' ' 3' ' ' THR . 22.3 mt -66.94 -53.58 32.86 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.589 0 CA-C-N 114.261 -1.336 . . . . 0.29 107.977 177.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.758 HG21 HD11 ' A' ' 28' ' ' LEU . 58.5 t -57.62 -37.47 59.02 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.236 0 CA-C-N 116.192 -0.458 . . . . 0.32 111.937 177.143 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.2 -38.64 91.96 Favored 'General case' 0 C--O 1.243 0.736 0 CA-C-O 121.165 0.507 . . . . 0.32 110.056 176.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.95 -42.32 85.78 Favored Glycine 0 N--CA 1.436 -1.319 0 N-CA-C 110.673 -0.971 . . . . 0.31 110.673 178.017 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.487 ' O ' HG23 ' A' ' 15' ' ' VAL . 95.4 mt -60.74 -49.09 78.91 Favored 'General case' 0 C--N 1.307 -1.263 0 N-CA-C 110.175 -0.305 . . . . 0.29 110.175 175.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.49 -43.1 75.28 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 123.94 0.896 . . . . 0.24 112.393 -178.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -64.44 -39.05 93.08 Favored 'General case' 0 C--O 1.239 0.519 0 C-N-CA 120.503 -0.479 . . . . 1.46 111.484 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 91.3 mt -64.55 -52.11 59.14 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.129 0 CA-C-N 115.565 -0.743 . . . . 0.41 109.032 176.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 11' ' ' LEU . 95.5 t -54.96 -47.61 76.24 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.901 0 CA-C-N 115.092 -0.958 . . . . 0.29 111.18 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -63.57 -30.71 71.79 Favored 'General case' 0 C--N 1.301 -1.522 0 C-N-CA 120.68 -0.408 . . . . 0.64 111.372 -179.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -76.76 -47.25 22.28 Favored 'General case' 0 C--N 1.31 -1.144 0 CA-C-N 116.018 -0.537 . . . . 2.0 110.823 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.598 HG21 ' HB2' ' A' ' 45' ' ' GLU . 69.4 mt -93.9 -53.9 7.88 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.941 0 N-CA-C 112.584 0.587 . . . . 0.28 112.584 -174.391 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.477 ' HB2' HG13 ' A' ' 38' ' ' VAL . . . -75.57 -30.93 59.83 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-O 120.826 0.346 . . . . 0.34 110.535 -177.5 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 82.03 22.22 59.71 Favored Glycine 0 N--CA 1.447 -0.575 0 CA-C-N 115.253 -0.885 . . . . 0.46 111.758 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.693 HG21 HD22 ' A' ' 36' ' ' LEU . 50.1 mm -101.34 136.63 19.62 Favored Pre-proline 0 C--N 1.307 -1.269 0 CA-C-N 115.845 -0.177 . . . . 0.42 110.597 -176.361 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.506 ' HD2' ' HA ' ' A' ' 21' ' ' ILE . 5.5 Cg_exo -33.06 123.58 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.211 1 C-N-CA 125.882 4.388 . . . . 0.41 114.565 173.688 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 61.3 t -56.0 -38.19 51.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.65 0 CA-C-N 114.082 -1.417 . . . . 0.69 109.55 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.301 48.5 mt-10 -97.31 2.4 50.64 Favored 'General case' 0 N--CA 1.42 -1.948 0 N-CA-C 114.634 1.346 . . . . 2.34 114.634 -176.623 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.453 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 33.2 t70 -86.45 -23.09 26.15 Favored 'General case' 0 CA--C 1.498 -1.05 0 N-CA-C 106.961 -1.496 . . . . 0.69 106.961 170.556 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.644 HG13 HG11 ' A' ' 69' ' ' VAL . 41.8 t -70.11 74.07 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.892 0 CA-C-N 114.21 -1.359 . . . . 0.4 109.867 175.724 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.705 ' O ' HG21 ' A' ' 69' ' ' VAL . 46.9 mttp -100.7 177.46 4.99 Favored 'General case' 0 C--O 1.2 -1.513 0 N-CA-C 105.544 -2.021 . . . . 1.67 105.544 175.652 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.758 HD11 HG21 ' A' ' 8' ' ' VAL . 9.7 mp -78.62 0.45 26.36 Favored 'General case' 0 C--N 1.29 -2.004 0 N-CA-C 115.738 1.755 . . . . 1.08 115.738 -170.337 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -104.88 10.9 34.2 Favored 'General case' 0 C--N 1.278 -2.506 0 N-CA-C 108.976 -0.75 . . . . 2.11 108.976 -179.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.488 ' O ' HG22 ' A' ' 69' ' ' VAL . 74.9 mmtt -97.65 110.85 23.34 Favored 'General case' 0 N--CA 1.418 -2.054 0 CA-C-N 114.84 -1.073 . . . . 1.02 112.511 -174.678 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.667 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 50.3 m -85.77 114.07 22.44 Favored 'General case' 0 N--CA 1.394 -3.231 0 N-CA-C 106.546 -1.649 . . . . 1.16 106.546 171.297 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.629 ' HA ' HD12 ' A' ' 36' ' ' LEU . 93.7 m-85 -33.66 -83.02 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 124.597 1.159 . . . . 0.36 113.87 179.287 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.581 HG23 ' HB ' ' A' ' 38' ' ' VAL . 1.1 p -84.41 65.38 8.89 Favored 'General case' 0 C--N 1.302 -1.491 0 CA-C-O 121.673 0.749 . . . . 0.47 112.965 176.309 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.667 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 14.0 t70 -161.73 -61.68 0.05 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.277 -1.329 . . . . 0.73 109.464 177.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -93.65 -57.94 2.42 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.157 -0.682 . . . . 1.46 109.157 -178.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.693 HD22 HG21 ' A' ' 21' ' ' ILE . 76.4 mt -63.6 -44.53 93.74 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-N 114.931 -1.031 . . . . 0.58 110.003 -177.493 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.9 t70 71.2 82.5 0.15 Allowed 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 125.192 1.397 . . . . 1.14 108.691 179.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.581 ' HB ' HG23 ' A' ' 33' ' ' THR . 86.3 t -81.21 -90.22 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.306 -1.323 0 CA-C-N 114.204 -1.362 . . . . 1.79 110.39 -175.6 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.533 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 24.8 t70 172.57 -174.38 0.05 OUTLIER 'General case' 0 C--N 1.293 -1.868 0 N-CA-C 103.93 -2.618 . . . . 0.79 103.93 -177.727 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.431 ' H ' ' CG ' ' A' ' 39' ' ' ASP . 8.2 t -101.96 -38.88 7.59 Favored 'General case' 0 C--N 1.267 -2.987 0 N-CA-C 108.854 -0.795 . . . . 1.23 108.854 -174.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 94.8 mt -85.12 -35.42 21.78 Favored 'General case' 0 C--N 1.31 -1.138 0 N-CA-C 108.938 -0.764 . . . . 1.02 108.938 -179.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.584 ' HB3' HG22 ' A' ' 18' ' ' ILE . 19.0 m -66.99 -25.76 66.47 Favored 'General case' 0 N--CA 1.441 -0.885 0 CA-C-N 115.254 -0.885 . . . . 1.02 109.547 -179.569 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.508 ' O ' HG23 ' A' ' 47' ' ' VAL . 31.7 tpp -61.77 -48.55 80.14 Favored 'General case' 0 N--CA 1.438 -1.034 0 CA-C-N 115.579 -0.737 . . . . 0.55 110.546 178.243 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 47.1 t -69.52 -26.79 31.88 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.292 0 CA-C-N 115.012 -0.995 . . . . 0.56 110.671 -175.299 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.598 ' HB2' HG21 ' A' ' 18' ' ' ILE . 38.3 mt-10 -70.99 -38.59 72.72 Favored 'General case' 0 N--CA 1.433 -1.284 0 N-CA-C 109.077 -0.712 . . . . 2.08 109.077 176.475 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 42' ' ' SER . 86.1 t -59.23 -46.01 92.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 N-CA-C 108.934 -0.765 . . . . 0.52 108.934 175.484 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.602 HG22 HG21 ' A' ' 63' ' ' VAL . 70.1 t -53.51 -63.98 0.46 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.707 0 CA-C-N 115.472 -0.786 . . . . 0.38 109.886 176.386 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.458 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 92.3 t -53.19 -40.08 37.04 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.309 0 C-N-CA 123.062 0.545 . . . . 0.58 112.438 179.041 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.22 -30.73 67.89 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 121.934 -0.479 . . . . 0.42 112.016 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.98 -36.71 84.85 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.24 0.543 . . . . 0.38 110.553 179.053 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.584 ' HG2' ' H ' ' A' ' 58' ' ' ILE . 28.8 mt-10 -64.59 -29.87 70.89 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-O 122.002 0.906 . . . . 1.36 110.091 179.37 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -83.43 -35.68 24.81 Favored 'General case' 0 C--N 1.299 -1.607 0 CA-C-N 114.96 -1.018 . . . . 2.09 109.968 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.7 tpm_? -76.96 -31.76 56.8 Favored 'General case' 0 N--CA 1.434 -1.262 0 CA-C-N 114.754 -1.112 . . . . 2.75 110.673 -174.188 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.537 ' CD2' HD13 ' A' ' 76' ' ' ILE . 35.2 m-85 -118.66 -0.63 11.28 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 113.208 0.818 . . . . 0.73 113.208 -175.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 22.8 t70 73.38 -11.46 0.91 Allowed 'General case' 0 N--CA 1.502 2.138 0 C-N-CA 124.25 1.02 . . . . 2.02 112.146 178.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.503 ' O ' ' HA ' ' A' ' 51' ' ' GLU . 6.9 p -93.24 119.86 41.69 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.081 0 CA-C-O 121.405 0.621 . . . . 1.61 110.289 -177.711 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.1 mmmp? -70.54 123.54 22.06 Favored 'General case' 0 C--N 1.303 -1.446 0 CA-C-N 115.026 -0.988 . . . . 1.67 110.289 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.584 ' H ' ' HG2' ' A' ' 51' ' ' GLU . 49.3 mt -129.99 95.68 27.8 Favored Pre-proline 0 C--N 1.292 -1.893 0 N-CA-C 106.39 -1.708 . . . . 0.49 106.39 -179.369 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -72.54 151.93 53.52 Favored 'Trans proline' 0 N--CA 1.441 -1.591 0 C-N-CA 121.308 1.339 . . . . 0.62 112.052 -178.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.572 ' O ' HG12 ' A' ' 63' ' ' VAL . 11.5 t70 -43.91 -35.56 2.05 Favored 'General case' 0 C--O 1.207 -1.132 0 C-N-CA 124.981 1.313 . . . . 2.0 111.782 173.681 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -60.46 -50.06 75.1 Favored 'General case' 0 C--N 1.312 -1.041 0 N-CA-C 111.945 0.35 . . . . 2.09 111.945 178.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -83.42 -23.56 32.28 Favored 'General case' 0 CA--C 1.492 -1.271 0 O-C-N 122.076 -0.39 . . . . 1.58 111.902 -179.107 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.602 HG21 HG22 ' A' ' 47' ' ' VAL . 1.0 OUTLIER -63.84 -22.3 30.69 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.135 0 CA-C-O 121.51 0.671 . . . . 0.69 110.867 -178.13 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.552 ' HG2' ' O ' ' A' ' 60' ' ' ASP . 72.9 mmtt -64.91 -24.22 67.46 Favored 'General case' 0 C--O 1.218 -0.567 0 CA-C-N 115.356 -0.838 . . . . 2.44 110.821 178.341 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -92.89 6.28 48.3 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 115.689 -0.687 . . . . 1.94 110.468 -177.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.7 HD13 ' HA ' ' A' ' 72' ' ' ALA . 60.5 mt -97.91 -56.63 2.44 Favored 'General case' 0 C--O 1.204 -1.327 0 CA-C-N 116.231 -0.44 . . . . 1.67 109.876 179.046 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . 0.44 0.0 OUTLIER 58.81 -28.38 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 117.681 2.474 . . . . 3.18 117.681 177.091 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 79.2 p -121.96 179.28 4.56 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.437 -0.789 . . . . 0.51 110.521 177.114 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.705 HG21 ' O ' ' A' ' 27' ' ' LYS . 4.1 m -73.85 -42.5 53.75 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.585 0 CA-C-N 114.144 -1.389 . . . . 0.35 109.461 172.068 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.417 ' N ' HG23 ' A' ' 69' ' ' VAL . . . -65.48 -42.4 95.8 Favored Glycine 0 CA--C 1.498 -0.987 0 CA-C-N 115.604 -0.725 . . . . 0.3 112.345 -178.041 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.548 ' HB2' ' O ' ' A' ' 66' ' ' LEU . 28.9 m-20 -78.26 -26.7 47.33 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 110.423 -0.214 . . . . 1.79 110.423 -179.762 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.7 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -62.1 -55.78 25.43 Favored 'General case' 0 CA--C 1.511 -0.542 0 N-CA-C 107.594 -1.261 . . . . 0.29 107.594 172.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.547 ' HA ' HG21 ' A' ' 7' ' ' ILE . 85.4 m -49.0 -43.8 40.64 Favored 'General case' 0 C--O 1.194 -1.867 0 C-N-CA 123.836 0.855 . . . . 0.31 111.406 171.095 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.421 ' HB3' ' HA ' ' A' ' 71' ' ' ASP . 23.4 tptm -57.07 -32.19 65.99 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 123.836 0.854 . . . . 2.93 111.281 178.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.468 ' HB2' ' CD2' ' A' ' 66' ' ' LEU . 55.2 t80 -75.82 -55.76 5.32 Favored 'General case' 0 C--O 1.201 -1.493 0 N-CA-C 107.652 -1.24 . . . . 0.53 107.652 178.403 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.537 HD13 ' CD2' ' A' ' 54' ' ' PHE . 61.6 mt -56.61 -52.21 56.44 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.606 0 C-N-CA 125.087 1.355 . . . . 0.27 110.983 -177.748 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 47.1 tp -50.53 -42.23 54.79 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.903 0.881 . . . . 1.15 111.432 178.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -88.99 -28.45 20.2 Favored 'General case' 0 C--N 1.295 -1.764 0 CA-C-N 115.074 -0.966 . . . . 0.67 112.022 -174.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 39.3 m-70 -102.18 5.84 40.43 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 113.657 0.984 . . . . 1.53 113.657 -174.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.427 ' NE2' HG22 ' A' ' 76' ' ' ILE . 81.3 mm-40 -32.03 119.51 0.27 Allowed 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 125.088 1.355 . . . . 0.89 113.433 178.388 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.429 -1.491 0 N-CA-C 108.575 -0.898 . . . . 2.36 108.575 -179.873 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.556 ' O ' HG13 ' A' ' 7' ' ' ILE . 9.3 m . . . . . 0 N--CA 1.418 -2.035 0 N-CA-C 107.411 -1.329 . . . . 1.05 107.411 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -50.38 -39.46 46.84 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 113.396 0.888 . . . . 1.25 113.396 -173.333 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -66.51 -29.99 70.21 Favored 'General case' 0 C--N 1.294 -1.814 0 CA-C-N 115.873 -0.603 . . . . 2.3 110.53 -176.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -78.02 -31.61 50.61 Favored 'General case' 0 N--CA 1.44 -0.934 0 N-CA-C 108.46 -0.941 . . . . 1.92 108.46 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.556 HG13 ' O ' ' A' ' 3' ' ' THR . 15.5 mt -73.48 -50.99 27.13 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.202 0 N-CA-C 108.293 -1.003 . . . . 0.29 108.293 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.447 HG21 HD12 ' A' ' 28' ' ' LEU . 67.9 t -57.09 -40.69 74.76 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.172 0 CA-C-N 115.886 -0.597 . . . . 0.32 110.765 176.446 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.2 -37.38 87.25 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.111 0.481 . . . . 0.32 110.09 175.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.17 -39.57 96.24 Favored Glycine 0 C--O 1.204 -1.723 0 N-CA-C 110.304 -1.119 . . . . 0.31 110.304 178.268 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.484 ' O ' HG23 ' A' ' 15' ' ' VAL . 96.0 mt -66.01 -44.39 84.88 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 110.017 -0.364 . . . . 0.29 110.017 175.423 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.38 -42.72 78.35 Favored 'General case' 0 C--O 1.239 0.531 0 C-N-CA 123.766 0.826 . . . . 0.24 112.053 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -65.31 -36.15 83.17 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-O 121.206 0.526 . . . . 1.46 111.771 178.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 97.0 mt -67.21 -49.06 76.09 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 CA-C-N 115.338 -0.846 . . . . 0.41 109.249 177.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.639 HG12 ' HB ' ' A' ' 21' ' ' ILE . 94.5 t -57.73 -42.14 81.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.693 -0.685 . . . . 0.29 110.751 178.568 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -65.2 -33.04 75.06 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-O 121.342 0.591 . . . . 0.64 111.924 -179.26 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.33 -56.79 4.31 Favored 'General case' 0 C--N 1.304 -1.408 0 CA-C-N 115.543 -0.753 . . . . 2.0 109.039 -179.694 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.848 HG22 ' HB3' ' A' ' 42' ' ' SER . 79.8 mt -79.62 -52.37 14.99 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.141 0 N-CA-C 113.164 0.801 . . . . 0.28 113.164 -172.052 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.821 ' HB2' HG13 ' A' ' 38' ' ' VAL . . . -80.94 -36.78 30.54 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 121.147 0.498 . . . . 0.34 110.592 -177.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.53 31.66 12.96 Favored Glycine 0 N--CA 1.441 -0.993 0 N-CA-C 110.405 -1.078 . . . . 0.46 110.405 -176.081 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.639 ' HB ' HG12 ' A' ' 15' ' ' VAL . 42.8 mm -110.92 132.0 21.86 Favored Pre-proline 0 C--N 1.313 -1.017 0 N-CA-C 109.815 -0.439 . . . . 0.42 109.815 -178.336 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 21' ' ' ILE . 6.7 Cg_exo -35.48 129.47 0.3 Allowed 'Trans proline' 0 N--CA 1.453 -0.863 0 C-N-CA 125.197 3.931 . . . . 0.41 114.022 174.115 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 74.5 t -60.45 -24.48 31.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 114.917 -1.038 . . . . 0.69 108.531 176.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -88.07 -17.75 30.39 Favored 'General case' 0 N--CA 1.421 -1.915 0 CA-C-N 114.477 -1.238 . . . . 2.34 113.122 -178.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -83.84 -14.28 51.63 Favored 'General case' 0 N--CA 1.486 1.337 0 CA-C-O 122.569 1.175 . . . . 0.69 108.634 -178.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.712 HG13 HG11 ' A' ' 69' ' ' VAL . 62.3 t -78.5 73.27 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.343 0 CA-C-N 113.424 -1.716 . . . . 0.4 108.939 178.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.597 ' O ' HG21 ' A' ' 69' ' ' VAL . 43.0 mmtm -85.14 159.55 20.12 Favored 'General case' 0 N--CA 1.417 -2.089 0 N-CA-C 106.45 -1.685 . . . . 1.67 106.45 175.623 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.449 ' O ' HD23 ' A' ' 28' ' ' LEU . 8.0 tt -72.64 -11.15 60.52 Favored 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 112.894 0.701 . . . . 1.08 112.894 -170.016 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -97.11 0.19 48.09 Favored 'General case' 0 C--N 1.274 -2.686 0 CA-C-N 115.564 -0.744 . . . . 2.11 109.358 -177.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.525 ' O ' HG22 ' A' ' 69' ' ' VAL . 45.1 mmtm -90.27 125.94 35.67 Favored 'General case' 0 C--N 1.303 -1.427 0 CA-C-O 121.744 0.783 . . . . 1.02 112.583 -172.411 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.621 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 3.3 m -92.01 112.74 24.79 Favored 'General case' 0 N--CA 1.402 -2.831 0 N-CA-C 106.606 -1.628 . . . . 1.16 106.606 174.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.621 ' HA ' HD12 ' A' ' 36' ' ' LEU . 86.5 m-85 -28.18 -84.6 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 115.056 1.502 . . . . 0.36 115.056 179.196 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.682 HG23 ' HB ' ' A' ' 38' ' ' VAL . 0.8 OUTLIER -85.37 64.26 8.55 Favored 'General case' 0 C--N 1.307 -1.278 0 N-CA-C 114.164 1.172 . . . . 0.47 114.164 -179.875 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.429 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 17.2 t70 -170.46 -51.22 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 107.565 -1.272 . . . . 0.73 107.565 177.347 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.427 ' HB3' ' HD2' ' A' ' 30' ' ' LYS . 34.5 m-20 -95.26 -55.76 2.95 Favored 'General case' 0 C--N 1.307 -1.276 0 CA-C-N 114.681 -1.145 . . . . 1.46 110.72 179.286 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.621 HD12 ' HA ' ' A' ' 32' ' ' PHE . 96.3 mt -72.86 -44.0 61.89 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 112.102 0.408 . . . . 0.58 112.102 -176.737 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.7 t70 76.24 92.45 0.07 Allowed 'General case' 0 CA--C 1.505 -0.767 0 O-C-N 124.935 1.397 . . . . 1.14 109.92 -174.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.821 HG13 ' HB2' ' A' ' 19' ' ' ALA . 93.4 t -96.11 -89.27 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.298 -1.666 0 CA-C-N 114.914 -1.039 . . . . 1.79 109.44 -177.677 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.736 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 14.5 t70 176.29 179.74 0.18 Allowed 'General case' 0 C--N 1.29 -2.009 0 N-CA-C 103.618 -2.734 . . . . 0.79 103.618 -179.062 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.7 t -99.36 -35.09 10.04 Favored 'General case' 0 C--N 1.26 -3.306 0 N-CA-C 108.778 -0.823 . . . . 1.23 108.778 -174.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 91.0 mt -86.88 -38.31 16.87 Favored 'General case' 0 C--N 1.31 -1.14 0 CA-C-O 122.265 1.031 . . . . 1.02 109.216 -178.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.848 ' HB3' HG22 ' A' ' 18' ' ' ILE . 46.5 m -71.14 -14.39 62.27 Favored 'General case' 0 N--CA 1.433 -1.292 0 CA-C-N 113.91 -1.496 . . . . 1.02 111.064 -177.084 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.416 ' HB2' ' HE2' ' A' ' 43' ' ' MET . 21.1 tpp -62.15 -47.36 84.86 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.73 -0.668 . . . . 0.55 110.675 177.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.425 ' O ' HG23 ' A' ' 48' ' ' VAL . 46.8 t -71.88 -23.07 21.81 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.4 0 CA-C-N 115.62 -0.718 . . . . 0.56 110.492 -177.287 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.617 ' HB2' HG21 ' A' ' 18' ' ' ILE . 31.5 mm-40 -69.97 -36.45 75.24 Favored 'General case' 0 N--CA 1.439 -1.006 0 N-CA-C 108.753 -0.832 . . . . 2.08 108.753 177.702 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 42' ' ' SER . 99.2 t -62.05 -46.25 96.9 Favored 'Isoleucine or valine' 0 C--N 1.339 0.12 0 N-CA-C 108.591 -0.892 . . . . 0.52 108.591 177.274 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.587 HG22 HG21 ' A' ' 63' ' ' VAL . 48.7 t -53.77 -63.4 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.571 0 CA-C-N 115.365 -0.834 . . . . 0.38 109.287 176.692 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 44' ' ' VAL . 85.4 t -44.9 -54.91 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 C-N-CA 123.954 0.902 . . . . 0.58 112.071 176.031 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.79 -35.52 80.14 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.384 0.512 . . . . 0.42 112.384 -177.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.0 -37.57 83.0 Favored 'General case' 0 C--O 1.243 0.73 0 CA-C-O 120.565 0.221 . . . . 0.38 110.752 178.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.439 ' HG2' ' H ' ' A' ' 58' ' ' ILE . 39.4 mt-10 -59.47 -43.7 93.17 Favored 'General case' 0 C--O 1.216 -0.671 0 CA-C-N 116.0 -0.545 . . . . 1.36 110.241 178.704 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -75.15 -38.24 61.03 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 116.204 -0.453 . . . . 2.09 111.348 -179.021 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.488 ' NE ' ' HA ' ' A' ' 53' ' ' ARG . 1.6 tpm_? -65.33 -35.42 80.93 Favored 'General case' 0 CA--C 1.502 -0.901 0 CA-C-O 121.149 0.5 . . . . 2.75 111.319 -170.396 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.463 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 39.3 m-85 -111.37 0.42 16.62 Favored 'General case' 0 C--N 1.291 -1.977 0 CA-C-N 115.512 -0.767 . . . . 0.73 111.038 -175.696 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.7 t70 52.94 64.64 1.78 Allowed 'General case' 0 CA--C 1.511 -0.541 0 C-N-CA 125.149 1.38 . . . . 2.02 110.3 -173.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.408 HG12 ' HA ' ' A' ' 80' ' ' GLN . 25.7 m -134.13 -166.89 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.284 -2.274 0 CA-C-N 114.402 -1.272 . . . . 1.61 108.185 -178.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 23.8 tptp -143.09 119.65 11.05 Favored 'General case' 0 N--CA 1.415 -2.204 0 N-CA-C 106.824 -1.547 . . . . 1.67 106.824 178.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.715 HD11 HG12 ' A' ' 76' ' ' ILE . 21.4 mt -141.76 96.26 6.83 Favored Pre-proline 0 C--N 1.301 -1.506 0 N-CA-C 106.258 -1.756 . . . . 0.49 106.258 -177.116 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.435 ' HD2' ' HB2' ' A' ' 62' ' ' ASP . 72.6 Cg_endo -76.95 157.27 34.63 Favored 'Trans proline' 0 N--CA 1.435 -1.929 0 C-N-CA 121.173 1.248 . . . . 0.62 111.857 -178.072 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.52 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 16.1 t70 -46.53 -26.35 0.86 Allowed 'General case' 0 C--O 1.208 -1.087 0 C-N-CA 125.441 1.496 . . . . 2.0 112.716 175.11 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -82.05 -47.4 12.67 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 112.089 0.403 . . . . 2.09 112.089 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.435 ' HB2' ' HD2' ' A' ' 59' ' ' PRO . 18.3 m-20 -78.94 -20.0 50.33 Favored 'General case' 0 CA--C 1.486 -1.497 0 O-C-N 122.185 -0.322 . . . . 1.58 111.559 -177.428 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.587 HG21 HG22 ' A' ' 47' ' ' VAL . 3.0 p -70.38 -23.08 24.35 Favored 'Isoleucine or valine' 0 C--O 1.189 -2.112 0 CA-C-N 115.567 -0.742 . . . . 0.69 110.248 -179.656 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.52 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 66.0 mttm -62.21 -2.38 0.96 Allowed 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.539 1.136 . . . . 2.44 113.729 -175.498 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -115.26 10.61 15.99 Favored 'General case' 0 C--N 1.287 -2.109 0 CA-C-O 121.692 0.758 . . . . 1.94 109.075 -176.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.728 HD13 ' HA ' ' A' ' 72' ' ' ALA . 38.7 mt -123.06 39.73 3.88 Favored 'General case' 0 C--O 1.216 -0.705 0 O-C-N 121.784 -0.572 . . . . 1.67 111.83 -173.446 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.73 -23.0 0.1 Allowed 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 118.2 2.667 . . . . 3.18 118.2 -176.099 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.621 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 68.3 p -110.25 167.69 10.0 Favored 'General case' 0 CA--C 1.503 -0.856 0 CA-C-N 119.239 0.927 . . . . 0.51 111.206 177.002 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.712 HG11 HG13 ' A' ' 26' ' ' VAL . 2.8 m -60.81 -42.84 93.91 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.49 0 CA-C-N 115.243 -0.889 . . . . 0.35 109.318 171.373 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -59.4 -45.79 94.92 Favored Glycine 0 N--CA 1.433 -1.509 0 CA-C-N 115.414 -0.812 . . . . 0.3 112.276 175.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.524 ' HB3' ' HA ' ' A' ' 66' ' ' LEU . 9.8 m-20 -65.85 -38.23 88.3 Favored 'General case' 0 CA--C 1.502 -0.901 0 CA-C-N 117.212 0.506 . . . . 1.79 110.969 -178.611 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.728 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -59.99 -58.68 7.51 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 108.995 -0.743 . . . . 0.29 108.995 175.495 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.51 HG23 ' HB ' ' A' ' 7' ' ' ILE . 93.1 m -48.55 -46.3 38.68 Favored 'General case' 0 C--O 1.205 -1.261 0 C-N-CA 124.51 1.124 . . . . 0.31 111.954 174.632 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.454 ' HD3' ' HA ' ' A' ' 71' ' ' ASP . 82.2 tttt -53.96 -33.02 55.73 Favored 'General case' 0 C--N 1.297 -1.7 0 C-N-CA 126.63 1.972 . . . . 2.93 111.294 177.497 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.426 ' HB2' ' CD2' ' A' ' 66' ' ' LEU . 65.1 t80 -85.41 -47.82 9.6 Favored 'General case' 0 C--O 1.203 -1.366 0 N-CA-C 108.369 -0.975 . . . . 0.53 108.369 178.254 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.715 HG12 HD11 ' A' ' 58' ' ' ILE . 76.9 mt -60.27 -50.3 80.82 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.442 0 C-N-CA 124.701 1.2 . . . . 0.27 111.385 -177.402 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.1 tt -54.05 -35.83 62.42 Favored 'General case' 0 N--CA 1.482 1.143 0 CA-C-O 121.167 0.508 . . . . 1.15 109.99 178.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -83.03 -38.56 22.4 Favored 'General case' 0 C--N 1.298 -1.657 0 CA-C-N 114.821 -1.082 . . . . 0.67 111.577 -178.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 39.2 m-70 -91.78 5.7 48.87 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 114.676 1.362 . . . . 1.53 114.676 -175.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.516 ' NE2' HG22 ' A' ' 76' ' ' ILE . 84.6 mm-40 -44.19 145.07 0.83 Allowed 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.667 0.787 . . . . 0.89 111.148 173.736 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -0.897 0 N-CA-C 109.291 -0.633 . . . . 2.36 109.291 178.198 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.535 ' O ' HG13 ' A' ' 7' ' ' ILE . 1.9 m . . . . . 0 N--CA 1.426 -1.631 0 N-CA-C 107.457 -1.312 . . . . 1.05 107.457 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -53.94 -37.08 63.5 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 112.341 0.497 . . . . 1.25 112.341 -174.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -68.58 -29.04 67.49 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-N 115.782 -0.645 . . . . 2.3 110.161 -177.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -72.15 -34.08 68.24 Favored 'General case' 0 C--N 1.314 -0.968 0 N-CA-C 108.141 -1.059 . . . . 1.92 108.141 -179.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.714 ' HB ' HG23 ' A' ' 73' ' ' THR . 15.4 mt -72.66 -52.58 22.44 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.597 0 CA-C-N 114.425 -1.261 . . . . 0.29 107.801 179.565 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.3 t -52.72 -43.23 43.97 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.822 0 CA-C-N 115.606 -0.724 . . . . 0.32 110.733 176.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.44 -39.38 93.71 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 122.618 0.367 . . . . 0.32 111.135 177.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.26 -42.29 97.91 Favored Glycine 0 N--CA 1.438 -1.188 0 N-CA-C 110.096 -1.202 . . . . 0.31 110.096 178.03 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.504 ' HA ' HD12 ' A' ' 14' ' ' ILE . 89.4 mt -65.37 -43.65 90.11 Favored 'General case' 0 C--N 1.309 -1.156 0 N-CA-C 110.179 -0.304 . . . . 0.29 110.179 176.279 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.432 ' HA ' HG11 ' A' ' 26' ' ' VAL . . . -55.11 -43.09 73.74 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 123.886 0.875 . . . . 0.24 111.809 -179.339 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -69.1 -35.57 76.59 Favored 'General case' 0 C--O 1.24 0.598 0 C-N-CA 119.771 -0.772 . . . . 1.46 112.884 178.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.504 HD12 ' HA ' ' A' ' 11' ' ' LEU . 93.6 mt -62.45 -51.61 70.14 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.133 0 N-CA-C 108.479 -0.934 . . . . 0.41 108.479 175.713 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.654 HG12 ' HB ' ' A' ' 21' ' ' ILE . 94.2 t -61.1 -42.62 93.93 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.065 0 CA-C-N 114.912 -1.04 . . . . 0.29 110.816 179.722 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.406 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 4.4 t-20 -60.36 -33.65 72.74 Favored 'General case' 0 C--N 1.309 -1.161 0 CA-C-O 121.386 0.613 . . . . 0.64 110.411 179.405 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -79.33 -64.33 1.21 Allowed 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 115.269 -0.878 . . . . 2.0 111.542 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.511 HG21 ' HB2' ' A' ' 45' ' ' GLU . 81.3 mt -74.17 -52.25 20.91 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.204 0 CA-C-N 115.864 -0.607 . . . . 0.28 111.559 -173.323 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.564 ' HA ' HG21 ' A' ' 38' ' ' VAL . . . -78.21 -37.74 44.79 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-N 115.909 -0.587 . . . . 0.34 111.411 -176.184 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.26 32.61 22.44 Favored Glycine 0 C--O 1.242 0.622 0 N-CA-C 110.546 -1.021 . . . . 0.46 110.546 -177.234 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.654 ' HB ' HG12 ' A' ' 15' ' ' VAL . 49.3 mm -112.31 131.2 22.69 Favored Pre-proline 0 C--N 1.31 -1.116 0 N-CA-C 108.628 -0.878 . . . . 0.42 108.628 -179.412 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.458 ' HD2' ' HA ' ' A' ' 21' ' ' ILE . 2.7 Cg_exo -35.13 128.3 0.25 Allowed 'Trans proline' 0 C--O 1.237 0.467 1 C-N-CA 125.83 4.353 . . . . 0.41 115.282 175.807 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.425 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 92.6 t -56.6 -32.89 38.42 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.458 0 C-N-CA 124.575 1.15 . . . . 0.69 108.505 176.09 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.256 0.8 OUTLIER -85.55 -24.07 27.4 Favored 'General case' 0 N--CA 1.421 -1.906 0 CA-C-N 115.099 -0.955 . . . . 2.34 113.543 -177.385 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.55 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 28.3 t0 -81.57 -16.53 51.33 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-O 121.967 0.889 . . . . 0.69 109.094 178.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.687 HG13 HG11 ' A' ' 69' ' ' VAL . 54.7 t -76.86 78.55 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.323 0 CA-C-O 122.798 1.285 . . . . 0.4 107.792 172.707 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 58.0 mttp -85.21 -137.79 0.07 Allowed 'General case' 0 C--N 1.298 -1.663 0 CA-C-N 112.443 -2.162 . . . . 1.67 108.499 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.45 ' HA ' HG23 ' A' ' 69' ' ' VAL . 7.0 tt -121.85 -19.76 6.62 Favored 'General case' 0 C--N 1.309 -1.179 0 C-N-CA 119.738 -0.785 . . . . 1.08 110.858 -179.577 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -91.29 -1.07 57.74 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-O 123.001 1.381 . . . . 2.11 109.852 -178.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.638 ' O ' HG22 ' A' ' 69' ' ' VAL . 72.2 mmtt -85.31 110.0 18.77 Favored 'General case' 0 C--N 1.292 -1.916 0 N-CA-C 114.504 1.298 . . . . 1.02 114.504 -172.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.574 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 2.7 m -75.44 110.27 9.66 Favored 'General case' 0 N--CA 1.411 -2.385 0 N-CA-C 107.462 -1.31 . . . . 1.16 107.462 171.221 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.681 ' HA ' HD12 ' A' ' 36' ' ' LEU . 92.4 m-85 -36.52 -80.78 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.39 0 N-CA-C 114.104 1.15 . . . . 0.36 114.104 178.252 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.72 40.31 0.67 Allowed 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 114.857 1.429 . . . . 0.47 114.857 -179.614 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -155.24 -46.4 0.08 Allowed 'General case' 0 C--N 1.317 -0.813 0 C-N-CA 120.119 -0.632 . . . . 0.73 112.221 179.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -96.04 -50.51 4.82 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.078 -1.082 . . . . 1.46 108.078 178.125 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.681 HD12 ' HA ' ' A' ' 32' ' ' PHE . 96.8 mt -68.89 -49.09 61.19 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 109.056 -0.72 . . . . 0.58 109.056 177.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.0 t70 70.27 81.99 0.16 Allowed 'General case' 0 CA--C 1.508 -0.669 0 C-N-CA 124.685 1.194 . . . . 1.14 112.826 174.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.624 HG13 ' H ' ' A' ' 39' ' ' ASP . 1.4 p -93.03 -87.29 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.297 -1.674 0 CA-C-N 115.481 -0.781 . . . . 1.79 109.625 173.192 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.624 ' H ' HG13 ' A' ' 38' ' ' VAL . 11.8 t70 -173.63 173.5 3.37 Favored 'General case' 0 N--CA 1.425 -1.718 0 N-CA-C 105.123 -2.177 . . . . 0.79 105.123 177.666 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 38.5 t -85.67 -26.12 26.15 Favored 'General case' 0 C--N 1.257 -3.428 0 C-N-CA 124.113 0.965 . . . . 1.23 110.59 -171.233 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 56.4 mt -80.97 -43.02 20.3 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-O 120.964 0.411 . . . . 1.02 111.829 -175.122 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -66.82 -22.03 66.02 Favored 'General case' 0 C--N 1.311 -1.104 0 C-N-CA 123.925 0.89 . . . . 1.02 110.414 -175.467 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.425 ' O ' HG23 ' A' ' 47' ' ' VAL . 25.0 tpp -56.47 -41.05 75.9 Favored 'General case' 0 N--CA 1.441 -0.891 0 CA-C-N 114.684 -1.144 . . . . 0.55 113.067 -177.724 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 48.9 t -68.83 -29.21 42.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 C-N-CA 120.842 -0.343 . . . . 0.56 110.698 -177.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.511 ' HB2' HG21 ' A' ' 18' ' ' ILE . 19.0 mm-40 -72.99 -34.25 66.31 Favored 'General case' 0 N--CA 1.426 -1.628 0 N-CA-C 109.316 -0.624 . . . . 2.08 109.316 179.536 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 66.4 t -61.85 -47.03 95.14 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.239 0 N-CA-C 108.484 -0.932 . . . . 0.52 108.484 176.171 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.659 HG13 HG21 ' A' ' 63' ' ' VAL . 90.3 t -55.34 -64.4 0.47 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 O-C-N 123.914 0.759 . . . . 0.38 109.691 176.609 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.496 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 89.6 t -51.23 -42.62 26.71 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.229 0 C-N-CA 123.523 0.729 . . . . 0.58 112.945 178.647 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.33 -38.91 82.0 Favored 'General case' 0 C--N 1.318 -0.765 0 O-C-N 121.801 -0.562 . . . . 0.42 111.367 178.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.6 -36.18 79.97 Favored 'General case' 0 C--O 1.247 0.949 0 CA-C-O 120.785 0.326 . . . . 0.38 110.21 178.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.662 ' HG2' ' H ' ' A' ' 58' ' ' ILE . 54.3 mt-10 -53.56 -55.76 22.83 Favored 'General case' 0 N--CA 1.441 -0.877 0 CA-C-N 115.24 -0.891 . . . . 1.36 109.939 176.759 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -71.36 -35.41 71.12 Favored 'General case' 0 C--N 1.321 -0.668 0 O-C-N 123.835 0.709 . . . . 2.09 111.921 -178.189 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.2 tpp85 -64.83 -34.15 77.69 Favored 'General case' 0 CA--C 1.503 -0.839 0 CA-C-O 121.544 0.688 . . . . 2.75 110.812 -169.125 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.458 ' CD2' HD13 ' A' ' 76' ' ' ILE . 50.9 m-85 -115.9 -2.16 12.4 Favored 'General case' 0 C--N 1.296 -1.761 0 CA-C-N 115.036 -0.984 . . . . 0.73 110.001 -179.264 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.7 t0 56.88 23.35 8.05 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 125.323 1.449 . . . . 2.02 110.382 -176.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.467 HG13 HG13 ' A' ' 58' ' ' ILE . 6.6 p -81.63 -27.9 10.05 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.076 0 CA-C-N 114.42 -1.263 . . . . 1.61 111.331 -173.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 24.4 tptp 56.53 86.99 0.06 Allowed 'General case' 0 C--O 1.249 1.066 0 C-N-CA 124.782 1.233 . . . . 1.67 111.791 -177.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.662 ' H ' ' HG2' ' A' ' 51' ' ' GLU . 25.2 mt -105.25 103.7 43.63 Favored Pre-proline 0 C--N 1.314 -0.94 0 N-CA-C 107.824 -1.176 . . . . 0.49 107.824 178.415 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -68.34 149.19 75.16 Favored 'Trans proline' 0 C--O 1.262 1.703 0 C-N-CA 121.033 1.155 . . . . 0.62 110.23 178.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.435 ' HA ' ' HB ' ' A' ' 63' ' ' VAL . 4.7 p-10 -49.37 -27.04 3.62 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.05 0.54 . . . . 2.0 111.633 176.494 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -56.4 -53.39 57.95 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.364 1.066 . . . . 2.09 112.256 175.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -74.87 -26.22 59.52 Favored 'General case' 0 N--CA 1.492 1.658 0 CA-C-O 121.77 0.795 . . . . 1.58 110.479 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.659 HG21 HG13 ' A' ' 47' ' ' VAL . 3.2 t -60.44 -23.03 26.97 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.623 0 CA-C-N 114.622 -1.172 . . . . 0.69 111.632 175.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -69.86 -8.67 50.43 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-O 120.904 0.383 . . . . 2.44 111.399 178.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -108.66 -14.94 14.52 Favored 'General case' 0 C--N 1.315 -0.931 0 N-CA-C 108.181 -1.044 . . . . 1.94 108.181 -178.275 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.77 ' HA ' ' OD2' ' A' ' 71' ' ' ASP . 52.0 mt -91.74 140.77 29.37 Favored 'General case' 0 N--CA 1.428 -1.543 0 N-CA-C 106.608 -1.626 . . . . 1.67 106.608 178.384 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.98 -21.87 0.95 Allowed 'General case' 0 C--N 1.267 -3.012 0 N-CA-C 113.152 0.797 . . . . 3.18 113.152 178.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.574 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 19.1 p -117.99 165.94 13.11 Favored 'General case' 0 N--CA 1.431 -1.399 0 C-N-CA 119.995 -0.682 . . . . 0.51 111.263 178.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.687 HG11 HG13 ' A' ' 26' ' ' VAL . 2.1 m -58.46 -44.34 88.7 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.238 0 CA-C-N 114.9 -1.046 . . . . 0.35 110.473 173.501 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -70.54 -31.96 67.9 Favored Glycine 0 N--CA 1.43 -1.764 0 CA-C-N 115.879 -0.6 . . . . 0.3 112.252 179.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.77 ' OD2' ' HA ' ' A' ' 66' ' ' LEU . 34.9 t0 -69.44 -43.92 72.35 Favored 'General case' 0 CA--C 1.512 -0.506 0 N-CA-C 108.902 -0.777 . . . . 1.79 108.902 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.534 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -57.43 -56.06 26.73 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 115.428 -0.805 . . . . 0.29 108.859 175.795 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.714 HG23 ' HB ' ' A' ' 7' ' ' ILE . 54.8 m -47.64 -47.34 29.25 Favored 'General case' 0 C--O 1.195 -1.788 0 C-N-CA 124.235 1.014 . . . . 0.31 112.367 173.549 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.403 ' HD2' HD23 ' A' ' 77' ' ' LEU . 20.2 tptm -60.79 -36.78 79.86 Favored 'General case' 0 C--N 1.318 -0.768 0 C-N-CA 122.767 0.427 . . . . 2.93 110.988 -178.247 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.469 ' HB2' HD21 ' A' ' 66' ' ' LEU . 67.1 t80 -70.04 -41.62 73.99 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.114 -0.699 . . . . 0.53 109.114 178.275 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.658 HG12 HD11 ' A' ' 58' ' ' ILE . 66.2 mt -67.44 -44.44 86.85 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.643 0 CA-C-N 115.42 -0.809 . . . . 0.27 109.364 179.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.403 HD23 ' HD2' ' A' ' 74' ' ' LYS . 42.8 tp -50.05 -40.11 44.12 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 124.828 1.251 . . . . 1.15 110.02 176.125 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -83.51 -37.67 22.78 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-N 114.693 -1.14 . . . . 0.67 111.689 -177.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -94.65 5.5 51.67 Favored 'General case' 0 C--N 1.308 -1.2 0 N-CA-C 115.061 1.504 . . . . 1.53 115.061 -174.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.483 ' NE2' HG22 ' A' ' 76' ' ' ILE . 80.7 mm-40 -37.79 134.09 0.76 Allowed 'General case' 0 N--CA 1.493 1.676 0 C-N-CA 124.775 1.23 . . . . 0.89 113.631 179.36 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.434 -1.242 0 N-CA-C 108.509 -0.923 . . . . 2.36 108.509 177.723 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.5 m . . . . . 0 N--CA 1.414 -2.24 0 N-CA-C 106.521 -1.659 . . . . 1.05 106.521 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.619 ' HA ' HD12 ' A' ' 7' ' ' ILE . 24.6 mt-30 -52.07 -25.9 9.76 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 113.402 0.89 . . . . 1.25 113.402 -177.302 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -64.62 -38.75 92.07 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 116.028 -0.533 . . . . 2.3 109.695 177.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -81.81 -25.16 35.44 Favored 'General case' 0 N--CA 1.429 -1.505 0 CA-C-N 115.886 -0.597 . . . . 1.92 110.053 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.619 HD12 ' HA ' ' A' ' 4' ' ' GLN . 49.8 mt -66.42 -59.58 3.74 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.902 0 N-CA-C 108.021 -1.103 . . . . 0.29 108.021 176.332 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.558 HG21 HD12 ' A' ' 28' ' ' LEU . 98.0 t -55.65 -37.33 45.85 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.852 0 CA-C-N 116.268 -0.424 . . . . 0.32 110.615 175.662 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.07 -42.81 96.87 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 120.883 0.373 . . . . 0.32 110.361 177.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . 0.43 ' HA2' ' HG2' ' A' ' 13' ' ' GLU . . . -62.69 -43.84 98.38 Favored Glycine 0 C--O 1.211 -1.294 0 N-CA-C 110.64 -0.984 . . . . 0.31 110.64 177.013 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.464 ' O ' HG23 ' A' ' 15' ' ' VAL . 85.4 mt -58.36 -47.28 84.31 Favored 'General case' 0 N--CA 1.435 -1.214 0 N-CA-C 110.076 -0.342 . . . . 0.29 110.076 176.028 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.93 -44.56 86.99 Favored 'General case' 0 C--N 1.319 -0.737 0 C-N-CA 123.851 0.86 . . . . 0.24 112.055 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.43 ' HG2' ' HA2' ' A' ' 10' ' ' GLY . 13.1 pt-20 -67.12 -38.13 85.08 Favored 'General case' 0 C--O 1.243 0.752 0 C-N-CA 120.748 -0.381 . . . . 1.46 111.555 -179.29 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 90.9 mt -64.41 -47.17 90.59 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.15 0 CA-C-N 115.572 -0.74 . . . . 0.41 109.503 176.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 11' ' ' LEU . 77.3 t -57.12 -44.42 83.19 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.626 0 CA-C-N 116.051 -0.522 . . . . 0.29 110.646 176.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -63.82 -33.77 76.42 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 122.178 -0.326 . . . . 0.64 111.711 -179.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -79.89 -41.66 25.74 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 116.258 -0.428 . . . . 2.0 112.036 -179.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.806 HG22 ' HB3' ' A' ' 42' ' ' SER . 79.2 mt -92.26 -53.32 8.83 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.938 0 O-C-N 122.116 -0.365 . . . . 0.28 111.979 -177.129 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.781 ' HB2' HG13 ' A' ' 38' ' ' VAL . . . -75.57 -39.08 58.65 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.079 0.466 . . . . 0.34 110.181 -178.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 92.58 16.46 49.06 Favored Glycine 0 C--O 1.239 0.44 0 CA-C-N 115.385 -0.825 . . . . 0.46 111.187 -178.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.465 ' HA ' ' HD2' ' A' ' 22' ' ' PRO . 49.3 mm -99.68 135.46 20.55 Favored Pre-proline 0 C--N 1.312 -1.055 0 CA-C-N 115.212 -0.494 . . . . 0.42 109.907 -176.284 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.465 ' HD2' ' HA ' ' A' ' 21' ' ' ILE . 3.9 Cg_exo -34.8 128.12 0.22 Allowed 'Trans proline' 0 C--N 1.354 0.848 1 C-N-CA 125.444 4.096 . . . . 0.41 115.136 175.377 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 87.8 t -60.58 -32.91 52.72 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.497 0 CA-C-N 114.151 -1.386 . . . . 0.69 107.347 177.47 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.492 ' O ' ' HE2' ' A' ' 27' ' ' LYS . 43.8 mt-10 -92.67 5.25 51.71 Favored 'General case' 0 N--CA 1.411 -2.375 0 CA-C-N 113.49 -1.686 . . . . 2.34 112.863 -173.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.418 ' O ' ' HE3' ' A' ' 30' ' ' LYS . 33.2 t70 -102.04 -12.75 17.91 Favored 'General case' 0 C--N 1.311 -1.07 0 N-CA-C 107.379 -1.341 . . . . 0.69 107.379 171.699 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.462 HG22 HD13 ' A' ' 36' ' ' LEU . 89.3 t -80.09 72.13 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.904 0 CA-C-O 122.839 1.304 . . . . 0.4 108.985 178.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.719 ' O ' HG21 ' A' ' 69' ' ' VAL . 76.0 mmtt -84.3 168.29 15.79 Favored 'General case' 0 N--CA 1.417 -2.099 0 CA-C-N 113.468 -1.696 . . . . 1.67 107.27 176.699 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.558 HD12 HG21 ' A' ' 8' ' ' VAL . 7.5 tt -80.89 -4.4 54.72 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 113.129 0.788 . . . . 1.08 113.129 -169.725 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.0 p-10 -110.69 18.03 20.06 Favored 'General case' 0 C--N 1.275 -2.668 0 CA-C-O 121.813 0.815 . . . . 2.11 108.823 -179.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.582 ' O ' HG22 ' A' ' 69' ' ' VAL . 72.6 mmtt -97.7 141.98 30.05 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.284 -0.871 . . . . 1.02 112.263 -178.473 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.1 t -102.15 118.17 36.33 Favored 'General case' 0 C--N 1.294 -1.812 0 N-CA-C 107.347 -1.353 . . . . 1.16 107.347 170.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.754 ' HA ' HD12 ' A' ' 36' ' ' LEU . 93.0 m-85 -34.22 -82.63 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 114.137 1.162 . . . . 0.36 114.137 175.335 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.595 HG23 ' HB ' ' A' ' 38' ' ' VAL . 0.4 OUTLIER -80.0 49.41 1.08 Allowed 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 115.407 1.632 . . . . 0.47 115.407 -178.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -161.12 -64.59 0.06 Allowed 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 116.01 -0.541 . . . . 0.73 109.685 177.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -77.8 -46.3 21.98 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 115.642 -0.708 . . . . 1.46 110.631 -179.292 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.754 HD12 ' HA ' ' A' ' 32' ' ' PHE . 84.1 mt -80.85 -47.13 14.23 Favored 'General case' 0 C--N 1.31 -1.144 0 CA-C-N 115.576 -0.738 . . . . 0.58 109.91 -179.352 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.7 t70 78.34 90.09 0.06 Allowed 'General case' 0 CA--C 1.506 -0.741 0 C-N-CA 126.435 1.894 . . . . 1.14 110.057 -177.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.781 HG13 ' HB2' ' A' ' 19' ' ' ALA . 94.2 t -92.19 -92.08 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.297 -1.696 0 CA-C-N 114.489 -1.232 . . . . 1.79 109.012 -177.525 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.498 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 10.9 t70 171.27 175.27 0.07 Allowed 'General case' 0 C--N 1.294 -1.815 0 N-CA-C 103.371 -2.826 . . . . 0.79 103.371 -178.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 8.8 t -95.4 -32.0 13.13 Favored 'General case' 0 C--N 1.268 -2.967 0 N-CA-C 108.388 -0.967 . . . . 1.23 108.388 -176.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 83.9 mt -83.9 -36.92 23.0 Favored 'General case' 0 C--N 1.306 -1.307 0 N-CA-C 108.734 -0.839 . . . . 1.02 108.734 -178.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.806 ' HB3' HG22 ' A' ' 18' ' ' ILE . 19.3 m -70.86 -28.19 64.39 Favored 'General case' 0 N--CA 1.43 -1.46 0 CA-C-N 114.433 -1.258 . . . . 1.02 110.199 -178.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.488 ' O ' HG23 ' A' ' 47' ' ' VAL . 26.6 tpp -56.5 -48.71 76.6 Favored 'General case' 0 CA--C 1.511 -0.535 0 O-C-N 123.473 0.483 . . . . 0.55 110.589 178.458 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 44.2 t -61.87 -33.18 56.7 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.726 0 CA-C-N 115.077 -0.965 . . . . 0.56 110.202 -178.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -74.13 -35.09 64.07 Favored 'General case' 0 N--CA 1.425 -1.723 0 N-CA-C 109.317 -0.623 . . . . 2.08 109.317 -178.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 42' ' ' SER . 77.3 t -63.69 -46.24 95.19 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 N-CA-C 108.598 -0.89 . . . . 0.52 108.598 176.143 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.662 HG22 HG21 ' A' ' 63' ' ' VAL . 88.7 t -53.75 -61.83 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 115.833 -0.621 . . . . 0.38 109.424 176.338 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 76.1 t -49.42 -44.55 18.4 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.303 0 C-N-CA 123.128 0.571 . . . . 0.58 112.134 175.37 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.87 -29.26 69.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 122.071 -0.393 . . . . 0.42 112.008 -178.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.54 -37.45 86.75 Favored 'General case' 0 C--O 1.24 0.556 0 N-CA-C 109.698 -0.482 . . . . 0.38 109.698 177.236 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.622 ' HG2' ' H ' ' A' ' 58' ' ' ILE . 36.5 mt-10 -64.29 -40.31 95.7 Favored 'General case' 0 CA--C 1.506 -0.735 0 CA-C-O 121.865 0.841 . . . . 1.36 109.475 177.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -76.5 -27.65 56.13 Favored 'General case' 0 C--N 1.298 -1.658 0 CA-C-N 114.784 -1.098 . . . . 2.09 111.258 -176.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.9 tpm_? -88.04 -47.07 8.8 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-O 120.826 0.346 . . . . 2.75 110.846 -177.017 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.566 ' HB2' HG12 ' A' ' 56' ' ' VAL . 20.1 m-85 -97.0 -9.54 28.0 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 112.409 0.522 . . . . 0.73 112.409 -173.179 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.3 t70 73.2 8.46 5.29 Favored 'General case' 0 N--CA 1.491 1.613 0 C-N-CA 125.137 1.375 . . . . 2.02 111.807 178.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.566 HG12 ' HB2' ' A' ' 54' ' ' PHE . 7.4 p -98.66 131.25 46.19 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.397 0 CA-C-N 115.444 -0.798 . . . . 1.61 109.839 179.259 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -77.25 113.22 14.78 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-N 116.049 -0.523 . . . . 1.67 111.032 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.69 HD11 HG12 ' A' ' 76' ' ' ILE . 30.4 mt -129.86 100.34 19.33 Favored Pre-proline 0 C--N 1.305 -1.351 0 N-CA-C 107.057 -1.46 . . . . 0.49 107.057 179.188 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -88.14 161.37 7.15 Favored 'Trans proline' 0 N--CA 1.435 -1.955 0 C-N-CA 121.371 1.381 . . . . 0.62 111.557 178.054 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.613 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 3.9 t70 -48.49 -33.18 9.0 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.498 0.719 . . . . 2.0 111.75 173.082 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -54.06 -50.15 67.41 Favored 'General case' 0 C--N 1.317 -0.845 0 C-N-CA 123.232 0.613 . . . . 2.09 110.952 177.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -85.37 -30.83 23.33 Favored 'General case' 0 CA--C 1.483 -1.628 0 CA-C-N 115.681 -0.69 . . . . 1.58 111.508 -176.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.662 HG21 HG22 ' A' ' 47' ' ' VAL . 0.4 OUTLIER -59.19 -22.91 23.3 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.162 0 O-C-N 123.795 0.684 . . . . 0.69 111.641 -175.616 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.613 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 60.8 mttm -67.75 -8.46 35.72 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.612 -0.722 . . . . 2.44 112.74 -179.125 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 -102.44 1.73 35.63 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 122.971 0.508 . . . . 1.94 110.577 -178.069 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.763 HD13 ' HA ' ' A' ' 72' ' ' ALA . 71.4 mt -97.99 -65.69 0.95 Allowed 'General case' 0 C--N 1.311 -1.066 0 C-N-CA 120.296 -0.562 . . . . 1.67 112.262 -173.601 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . 0.465 0.0 OUTLIER 61.42 -22.14 0.04 OUTLIER 'General case' 0 N--CA 1.505 2.304 0 N-CA-C 117.95 2.574 . . . . 3.18 117.95 179.409 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -128.33 157.18 41.7 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 121.793 -0.567 . . . . 0.51 111.529 175.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.719 HG21 ' O ' ' A' ' 27' ' ' LYS . 6.9 m -57.4 -51.45 69.5 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 C-N-CA 123.658 0.783 . . . . 0.35 112.585 -178.227 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.461 ' H ' HG23 ' A' ' 69' ' ' VAL . . . -61.6 -33.99 86.94 Favored Glycine 0 C--O 1.211 -1.294 0 N-CA-C 112.312 -0.315 . . . . 0.3 112.312 179.235 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -73.71 -37.31 65.2 Favored 'General case' 0 C--N 1.312 -1.057 0 C-N-CA 122.024 0.13 . . . . 1.79 110.733 179.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.763 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -58.96 -55.92 28.92 Favored 'General case' 0 CA--C 1.517 -0.318 0 N-CA-C 107.945 -1.131 . . . . 0.29 107.945 173.334 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.419 HG23 ' HB ' ' A' ' 7' ' ' ILE . 87.3 m -48.62 -42.14 33.16 Favored 'General case' 0 C--O 1.208 -1.123 0 C-N-CA 125.162 1.385 . . . . 0.31 112.129 173.065 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 45.8 tptt -60.69 -38.02 83.57 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 122.924 0.49 . . . . 2.93 110.519 -179.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -72.56 -44.79 61.62 Favored 'General case' 0 C--O 1.214 -0.795 0 N-CA-C 108.003 -1.11 . . . . 0.53 108.003 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.69 HG12 HD11 ' A' ' 58' ' ' ILE . 80.2 mt -59.55 -50.93 78.1 Favored 'Isoleucine or valine' 0 C--O 1.194 -1.826 0 C-N-CA 124.678 1.191 . . . . 0.27 110.051 178.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.557 ' HA ' HE21 ' A' ' 80' ' ' GLN . 3.3 tm? -59.49 -34.35 72.47 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.083 0.468 . . . . 1.15 110.796 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -79.6 -39.47 31.58 Favored 'General case' 0 C--N 1.289 -2.059 0 CA-C-O 121.738 0.78 . . . . 0.67 110.934 -179.181 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -90.82 5.22 49.3 Favored 'General case' 0 C--N 1.296 -1.733 0 CA-C-N 114.778 -1.101 . . . . 1.53 113.017 -176.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.557 HE21 ' HA ' ' A' ' 77' ' ' LEU . 59.5 mm-40 -36.97 127.67 0.9 Allowed 'General case' 0 C--O 1.244 0.785 0 N-CA-C 115.661 1.726 . . . . 0.89 115.661 178.716 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.414 -2.228 0 N-CA-C 106.902 -1.518 . . . . 2.36 106.902 173.036 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.604 ' O ' HG13 ' A' ' 7' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.419 -2.009 0 N-CA-C 108.879 -0.785 . . . . 1.05 108.879 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -52.45 -34.0 46.82 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.391 0.677 . . . . 1.25 112.185 -175.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -71.42 -32.11 68.01 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.641 -0.709 . . . . 2.3 109.63 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -78.8 -30.42 45.46 Favored 'General case' 0 C--N 1.306 -1.304 0 CA-C-N 114.903 -1.044 . . . . 1.92 108.987 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.604 HG13 ' O ' ' A' ' 3' ' ' THR . 38.7 mt -67.66 -55.76 15.79 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.295 0 N-CA-C 108.167 -1.049 . . . . 0.29 108.167 176.096 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.441 HG21 HD12 ' A' ' 28' ' ' LEU . 71.9 t -57.31 -35.02 47.48 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.142 0 CA-C-N 116.362 -0.381 . . . . 0.32 111.197 176.699 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.12 -39.05 75.7 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-O 121.012 0.434 . . . . 0.32 110.046 177.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.81 -44.47 94.69 Favored Glycine 0 CA--C 1.49 -1.469 0 N-CA-C 110.12 -1.192 . . . . 0.31 110.12 178.192 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.524 ' O ' HG23 ' A' ' 15' ' ' VAL . 92.1 mt -58.98 -43.41 91.38 Favored 'General case' 0 C--N 1.308 -1.23 0 N-CA-C 110.35 -0.241 . . . . 0.29 110.35 175.584 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.6 ' HA ' HG11 ' A' ' 26' ' ' VAL . . . -58.64 -43.31 89.72 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 123.059 0.544 . . . . 0.24 112.212 179.433 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -68.2 -37.23 80.69 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.3 -0.56 . . . . 1.46 111.562 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.407 HD12 ' HA ' ' A' ' 11' ' ' LEU . 89.6 mt -61.25 -46.36 96.78 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 CA-C-N 115.493 -0.776 . . . . 0.41 109.16 174.416 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 11' ' ' LEU . 77.9 t -60.66 -45.58 97.23 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.174 0 CA-C-N 115.713 -0.676 . . . . 0.29 111.05 178.647 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -65.07 -32.74 74.6 Favored 'General case' 0 C--N 1.303 -1.42 0 CA-C-O 121.349 0.595 . . . . 0.64 111.079 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -70.58 -54.32 12.52 Favored 'General case' 0 C--N 1.304 -1.384 0 C-N-CA 123.761 0.825 . . . . 2.0 111.562 177.042 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.682 HG21 ' HB2' ' A' ' 45' ' ' GLU . 66.2 mt -91.23 -52.87 9.66 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.914 0 N-CA-C 112.736 0.643 . . . . 0.28 112.736 -173.199 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.447 ' CB ' HG13 ' A' ' 38' ' ' VAL . . . -73.38 -43.12 61.25 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.442 0.639 . . . . 0.34 109.564 -179.264 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 90.73 37.59 6.41 Favored Glycine 0 N--CA 1.443 -0.873 0 CA-C-N 115.134 -0.939 . . . . 0.46 110.845 -178.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.448 ' HA ' ' HD2' ' A' ' 22' ' ' PRO . 47.6 mm -116.82 137.68 23.96 Favored Pre-proline 0 C--N 1.318 -0.779 0 N-CA-C 109.001 -0.74 . . . . 0.42 109.001 -177.445 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.479 ' O ' HG23 ' A' ' 26' ' ' VAL . 6.5 Cg_exo -33.04 128.69 0.12 Allowed 'Trans proline' 0 C--N 1.364 1.387 1 C-N-CA 125.482 4.121 . . . . 0.41 114.818 175.001 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.4 t -67.27 -5.74 4.07 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 CA-C-O 122.683 1.23 . . . . 0.69 109.488 -179.141 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -110.24 -9.4 14.67 Favored 'General case' 0 N--CA 1.407 -2.59 0 CA-C-N 114.933 -1.031 . . . . 2.34 112.017 -177.015 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.422 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 13.7 t70 -92.68 -17.63 24.03 Favored 'General case' 0 CA--C 1.496 -1.105 0 N-CA-C 107.736 -1.209 . . . . 0.69 107.736 179.174 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.6 HG11 ' HA ' ' A' ' 12' ' ' ALA . 25.0 t -82.96 61.6 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.313 -1.004 0 CA-C-N 114.321 -1.309 . . . . 0.4 108.959 -178.589 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.64 ' O ' HG21 ' A' ' 69' ' ' VAL . 28.6 pttt -91.76 172.42 8.49 Favored 'General case' 0 N--CA 1.422 -1.864 0 CA-C-N 114.071 -1.422 . . . . 1.67 108.081 176.084 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.609 ' HA ' HG23 ' A' ' 69' ' ' VAL . 3.3 tt -68.85 -2.46 9.63 Favored 'General case' 0 CA--C 1.555 1.17 0 N-CA-C 113.816 1.043 . . . . 1.08 113.816 -167.234 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -85.45 -15.79 41.82 Favored 'General case' 0 C--N 1.284 -2.255 0 C-N-CA 125.164 1.386 . . . . 2.11 109.964 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.445 ' HB3' ' HG ' ' A' ' 36' ' ' LEU . 60.0 mmtt -82.23 126.09 31.69 Favored 'General case' 0 C--N 1.298 -1.655 0 N-CA-C 116.055 1.872 . . . . 1.02 116.055 -168.123 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.482 ' HA ' HG22 ' A' ' 68' ' ' THR . 3.7 p -95.02 22.16 6.9 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 113.748 -1.569 . . . . 1.16 112.458 -178.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.489 ' HA ' HD12 ' A' ' 36' ' ' LEU . 65.9 m-85 58.15 -108.55 0.42 Allowed 'General case' 0 C--O 1.246 0.88 0 N-CA-C 113.442 0.905 . . . . 0.36 113.442 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.527 HG23 ' HB ' ' A' ' 38' ' ' VAL . 1.5 p -74.95 56.33 0.74 Allowed 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 121.792 0.806 . . . . 0.47 112.765 178.691 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -161.23 -48.69 0.04 OUTLIER 'General case' 0 C--N 1.299 -1.623 0 CA-C-N 114.781 -1.1 . . . . 0.73 109.317 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -108.24 -41.56 4.86 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.516 -0.473 . . . . 1.46 111.351 -179.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.489 HD12 ' HA ' ' A' ' 32' ' ' PHE . 96.1 mt -76.21 -39.91 53.49 Favored 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 109.883 -0.414 . . . . 0.58 109.883 178.106 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.3 t70 69.92 93.47 0.08 Allowed 'General case' 0 CA--C 1.503 -0.835 0 C-N-CA 125.082 1.353 . . . . 1.14 108.618 -178.181 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.527 ' HB ' HG23 ' A' ' 33' ' ' THR . 75.1 t -106.49 -92.62 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.288 -2.088 0 CA-C-N 114.077 -1.42 . . . . 1.79 110.111 -170.587 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.1 t70 164.77 -175.49 0.02 OUTLIER 'General case' 0 CA--C 1.506 -0.736 0 N-CA-C 103.032 -2.951 . . . . 0.79 103.032 -177.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.435 ' O ' HG23 ' A' ' 44' ' ' VAL . 41.0 p -108.92 -29.76 8.45 Favored 'General case' 0 C--N 1.276 -2.62 0 CA-C-N 118.392 0.542 . . . . 1.23 110.745 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.467 ' O ' ' HG2' ' A' ' 45' ' ' GLU . 76.2 mt -71.99 -36.68 69.85 Favored 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 106.639 -1.615 . . . . 1.02 106.639 178.27 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.523 ' OG ' HG22 ' A' ' 18' ' ' ILE . 33.5 t -71.92 -37.8 69.98 Favored 'General case' 0 N--CA 1.415 -2.203 0 CA-C-N 113.284 -1.78 . . . . 1.02 108.469 177.481 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.446 ' O ' HG23 ' A' ' 47' ' ' VAL . 29.9 tpp -57.99 -47.79 81.94 Favored 'General case' 0 CA--C 1.519 -0.22 0 C-N-CA 123.249 0.62 . . . . 0.55 111.331 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.503 ' O ' HG23 ' A' ' 48' ' ' VAL . 83.9 t -60.2 -41.47 86.91 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.11 0 CA-C-N 115.414 -0.812 . . . . 0.56 110.054 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.682 ' HB2' HG21 ' A' ' 18' ' ' ILE . 10.7 mm-40 -67.18 -35.38 79.52 Favored 'General case' 0 N--CA 1.444 -0.753 0 O-C-N 123.348 0.405 . . . . 2.08 109.917 -179.582 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 42' ' ' SER . 92.7 t -60.77 -45.48 97.77 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 N-CA-C 109.596 -0.52 . . . . 0.52 109.596 176.38 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.554 HG22 HG21 ' A' ' 63' ' ' VAL . 45.8 t -56.49 -61.69 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 N-CA-C 108.306 -0.998 . . . . 0.38 108.306 175.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 44' ' ' VAL . 93.4 t -40.47 -58.1 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.055 0 O-C-N 124.445 1.091 . . . . 0.58 111.55 173.537 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.94 -36.13 82.95 Favored 'General case' 0 C--O 1.21 -1.006 0 N-CA-C 112.798 0.666 . . . . 0.42 112.798 -177.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.15 -42.52 98.7 Favored 'General case' 0 C--O 1.25 1.122 0 N-CA-C 109.904 -0.406 . . . . 0.38 109.904 177.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.636 ' HG2' ' H ' ' A' ' 58' ' ' ILE . 45.0 mt-10 -59.98 -44.36 94.54 Favored 'General case' 0 C--O 1.21 -0.985 0 CA-C-N 115.221 -0.899 . . . . 1.36 109.794 177.616 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -77.55 -26.12 50.7 Favored 'General case' 0 C--N 1.306 -1.322 0 N-CA-C 112.788 0.662 . . . . 2.09 112.788 -176.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 17.0 tpt85 -83.07 -34.86 26.08 Favored 'General case' 0 C--N 1.307 -1.266 0 CA-C-O 120.767 0.318 . . . . 2.75 111.195 -174.204 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.608 ' HB2' HG12 ' A' ' 56' ' ' VAL . 36.0 m-85 -112.6 -1.24 14.91 Favored 'General case' 0 C--N 1.305 -1.345 0 C-N-CA 120.281 -0.567 . . . . 0.73 111.054 -177.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 65.06 16.38 10.53 Favored 'General case' 0 N--CA 1.493 1.676 0 C-N-CA 125.235 1.414 . . . . 2.02 112.905 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.608 HG12 ' HB2' ' A' ' 54' ' ' PHE . 5.8 p -100.98 122.53 53.15 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.5 0 CA-C-N 115.359 -0.837 . . . . 1.61 110.41 -177.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 49.1 tptt -64.84 104.56 0.86 Allowed 'General case' 0 C--N 1.296 -1.731 0 CA-C-N 115.258 -0.883 . . . . 1.67 110.476 175.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.671 HD11 HG12 ' A' ' 76' ' ' ILE . 51.0 mt -115.98 99.08 52.28 Favored Pre-proline 0 C--N 1.305 -1.366 0 N-CA-C 106.305 -1.739 . . . . 0.49 106.305 175.541 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.495 ' HD2' ' HB2' ' A' ' 62' ' ' ASP . 7.9 Cg_exo -70.04 142.79 47.61 Favored 'Trans proline' 0 N--CA 1.443 -1.446 0 C-N-CA 121.53 1.487 . . . . 0.62 111.924 -177.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.417 ' O ' HG12 ' A' ' 63' ' ' VAL . 4.1 m-20 -44.13 -25.13 0.2 Allowed 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 124.784 1.234 . . . . 2.0 112.171 170.638 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.4 ' HA ' ' HE2' ' A' ' 64' ' ' LYS . 4.9 m-20 -73.13 -59.32 2.76 Favored 'General case' 0 C--N 1.317 -0.829 0 C-N-CA 123.289 0.636 . . . . 2.09 109.94 176.605 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.495 ' HB2' ' HD2' ' A' ' 59' ' ' PRO . 76.0 m-20 -66.73 -31.05 71.46 Favored 'General case' 0 CA--C 1.481 -1.71 0 CA-C-N 116.046 -0.525 . . . . 1.58 111.769 -176.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.554 HG21 HG22 ' A' ' 47' ' ' VAL . 2.9 p -61.16 -23.52 30.33 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.396 0 O-C-N 123.544 0.527 . . . . 0.69 110.977 -178.214 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.4 ' HE2' ' HA ' ' A' ' 61' ' ' ASP . 42.1 mttm -71.87 -19.73 61.91 Favored 'General case' 0 C--N 1.347 0.476 0 CA-C-O 121.564 0.697 . . . . 2.44 110.147 -179.42 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 -88.98 -18.79 26.68 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-N 115.519 -0.764 . . . . 1.94 110.446 -177.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.816 HD13 ' HA ' ' A' ' 72' ' ' ALA . 64.2 mt -76.52 -66.9 0.75 Allowed 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 115.69 -0.686 . . . . 1.67 109.286 -178.094 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.422 ' HA ' ' HD3' ' A' ' 67' ' ' LYS 0.29 38.6 mmtt 71.84 -39.55 0.45 Allowed 'General case' 0 C--N 1.314 -0.975 0 N-CA-C 116.397 1.999 . . . . 3.18 116.397 178.165 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.482 HG22 ' HA ' ' A' ' 31' ' ' SER . 17.8 p -111.61 156.27 22.05 Favored 'General case' 0 C--N 1.264 -3.112 0 C-N-CA 119.281 -0.968 . . . . 0.51 111.402 179.508 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.64 HG21 ' O ' ' A' ' 27' ' ' LYS . 4.0 m -52.23 -47.71 44.47 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.577 0 CA-C-N 114.382 -1.281 . . . . 0.35 110.879 176.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.458 ' CA ' ' HG ' ' A' ' 28' ' ' LEU . . . -69.18 -31.57 72.02 Favored Glycine 0 N--CA 1.439 -1.115 0 CA-C-N 116.127 -0.488 . . . . 0.3 113.591 -179.296 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -74.28 -38.37 63.42 Favored 'General case' 0 CA--C 1.505 -0.784 0 N-CA-C 107.843 -1.169 . . . . 1.79 107.843 -179.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.816 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -58.87 -54.38 47.76 Favored 'General case' 0 C--O 1.212 -0.883 0 CA-C-N 114.918 -1.037 . . . . 0.29 108.556 174.64 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.576 HG23 ' HB ' ' A' ' 7' ' ' ILE . 96.9 m -48.37 -48.27 36.82 Favored 'General case' 0 C--O 1.195 -1.78 0 C-N-CA 123.953 0.901 . . . . 0.31 112.15 173.466 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.8 ttpp -55.91 -40.17 72.67 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 118.301 0.501 . . . . 2.93 111.267 177.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.576 ' O ' ' HB2' ' A' ' 79' ' ' HIS . 69.9 t80 -69.72 -47.28 63.69 Favored 'General case' 0 C--O 1.21 -1.008 0 N-CA-C 108.452 -0.944 . . . . 0.53 108.452 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.671 HG12 HD11 ' A' ' 58' ' ' ILE . 96.0 mt -59.71 -51.63 70.57 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.958 0 CA-C-N 115.357 -0.838 . . . . 0.27 110.087 179.257 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.572 ' HA ' HE21 ' A' ' 80' ' ' GLN . 27.2 tp -52.84 -43.09 65.77 Favored 'General case' 0 C--N 1.316 -0.85 0 C-N-CA 124.195 0.998 . . . . 1.15 111.379 -179.255 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -85.47 -41.63 15.19 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 123.718 0.636 . . . . 0.67 112.11 -174.294 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.576 ' HB2' ' O ' ' A' ' 75' ' ' TYR . 0.2 OUTLIER -72.14 -55.77 6.72 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-N 115.854 -0.612 . . . . 1.53 110.408 -176.901 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.572 HE21 ' HA ' ' A' ' 77' ' ' LEU . 86.3 mm-40 49.22 -172.69 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.083 0.953 . . . . 0.89 112.797 -174.67 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.293 -1.866 0 N-CA-C 107.35 -1.352 . . . . 2.36 107.35 173.401 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.579 ' O ' HG13 ' A' ' 7' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.428 -1.55 0 N-CA-C 106.609 -1.626 . . . . 1.05 106.609 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.572 ' HA ' HD12 ' A' ' 7' ' ' ILE . 52.4 mt-30 -49.72 -39.51 37.38 Favored 'General case' 0 N--CA 1.486 1.33 0 N-CA-C 115.989 1.848 . . . . 1.25 115.989 -171.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -79.04 -24.54 43.54 Favored 'General case' 0 C--N 1.298 -1.65 0 CA-C-O 121.45 0.643 . . . . 2.3 109.696 -178.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.578 ' HB3' ' O ' ' A' ' 3' ' ' THR . 40.1 tt0 -74.78 -30.78 61.55 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 107.771 -1.196 . . . . 1.92 107.771 176.006 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.579 HG13 ' O ' ' A' ' 3' ' ' THR . 45.8 mt -64.75 -57.4 11.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 107.177 -1.416 . . . . 0.29 107.177 172.555 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.452 ' HA ' HD12 ' A' ' 11' ' ' LEU . 95.4 t -54.85 -38.45 44.51 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.871 0 CA-C-N 115.812 -0.631 . . . . 0.32 110.972 177.124 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.83 -41.54 99.37 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 122.57 0.348 . . . . 0.32 111.237 177.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.24 -39.96 97.53 Favored Glycine 0 CA--C 1.493 -1.321 0 N-CA-C 109.81 -1.316 . . . . 0.31 109.81 177.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.521 ' O ' HG23 ' A' ' 15' ' ' VAL . 96.3 mt -60.79 -50.88 71.68 Favored 'General case' 0 C--N 1.313 -0.982 0 N-CA-C 109.664 -0.495 . . . . 0.29 109.664 175.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.0 -44.72 74.79 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 124.341 1.056 . . . . 0.24 112.369 -178.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -65.3 -36.02 82.77 Favored 'General case' 0 C--O 1.241 0.635 0 N-CA-C 112.274 0.472 . . . . 1.46 112.274 -179.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 97.1 mt -68.68 -48.76 69.88 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.303 0 CA-C-N 115.465 -0.789 . . . . 0.41 109.385 176.061 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.539 HG12 ' HB ' ' A' ' 21' ' ' ILE . 95.3 t -56.93 -47.42 83.26 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.33 0 CA-C-N 115.673 -0.694 . . . . 0.29 110.393 178.721 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -62.64 -32.41 73.45 Favored 'General case' 0 C--N 1.298 -1.658 0 CA-C-O 120.981 0.419 . . . . 0.64 111.534 -179.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -76.51 -51.16 12.25 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 115.615 -0.72 . . . . 2.0 111.03 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.638 HG21 ' HB2' ' A' ' 45' ' ' GLU . 83.6 mt -89.01 -53.57 9.22 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.095 0 CA-C-O 121.155 0.502 . . . . 0.28 112.16 -174.485 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.436 ' CB ' HG13 ' A' ' 38' ' ' VAL . . . -76.19 -36.41 58.68 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 116.26 -0.427 . . . . 0.34 110.363 -177.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.66 32.56 18.42 Favored Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 110.966 -0.854 . . . . 0.46 110.966 -178.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.539 ' HB ' HG12 ' A' ' 15' ' ' VAL . 50.3 mm -110.9 133.04 21.35 Favored Pre-proline 0 C--N 1.318 -0.794 0 O-C-N 122.911 -0.17 . . . . 0.42 110.724 -176.115 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.51 ' HB2' ' HB2' ' A' ' 25' ' ' ASP . 11.4 Cg_exo -31.4 123.42 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.124 1 C-N-CA 126.078 4.518 . . . . 0.41 115.105 173.668 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 90.6 t -57.14 -34.68 45.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 113.948 -1.478 . . . . 0.69 109.986 -179.058 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -98.6 2.39 47.32 Favored 'General case' 0 N--CA 1.423 -1.792 0 N-CA-C 113.533 0.938 . . . . 2.34 113.533 -177.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.552 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 29.8 t70 -86.35 -25.3 25.46 Favored 'General case' 0 CA--C 1.503 -0.831 0 N-CA-C 106.061 -1.829 . . . . 0.69 106.061 172.38 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.736 HG13 HG11 ' A' ' 69' ' ' VAL . 55.8 t -72.17 78.61 0.29 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.833 0 CA-C-N 114.029 -1.441 . . . . 0.4 108.906 173.41 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.428 ' O ' HG21 ' A' ' 69' ' ' VAL . 62.6 mttm -91.84 -135.77 0.15 Allowed 'General case' 0 C--N 1.307 -1.242 0 CA-C-N 113.838 -1.528 . . . . 1.67 107.689 178.638 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.478 ' HA ' HG23 ' A' ' 69' ' ' VAL . 0.3 OUTLIER -114.68 -14.57 12.02 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 118.842 0.747 . . . . 1.08 111.401 174.504 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -88.72 2.58 53.13 Favored 'General case' 0 C--N 1.295 -1.781 0 C-N-CA 125.717 1.607 . . . . 2.11 109.463 -173.056 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.552 ' HG3' ' O ' ' A' ' 25' ' ' ASP . 75.8 mmtt -98.28 115.73 29.0 Favored 'General case' 0 C--N 1.275 -2.652 0 CA-C-N 114.027 -1.442 . . . . 1.02 114.049 -170.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.531 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 5.5 m -86.9 113.31 22.58 Favored 'General case' 0 N--CA 1.402 -2.869 0 N-CA-C 105.197 -2.149 . . . . 1.16 105.197 170.558 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.687 ' HA ' HD12 ' A' ' 36' ' ' LEU . 89.6 m-85 -31.3 -82.96 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 114.684 1.365 . . . . 0.36 114.684 177.788 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.615 HG23 ' HB ' ' A' ' 38' ' ' VAL . 0.8 OUTLIER -81.94 64.77 6.78 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 114.539 1.311 . . . . 0.47 114.539 177.347 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -175.73 -53.0 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.719 -0.673 . . . . 0.73 110.325 174.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -88.85 -47.71 7.99 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 115.867 -0.606 . . . . 1.46 110.541 178.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.687 HD12 ' HA ' ' A' ' 32' ' ' PHE . 96.5 mt -76.14 -44.61 37.51 Favored 'General case' 0 CA--C 1.505 -0.771 0 CA-C-N 116.125 -0.489 . . . . 0.58 109.982 -179.709 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.0 t70 79.59 86.84 0.06 Allowed 'General case' 0 CA--C 1.505 -0.751 0 C-N-CA 125.639 1.575 . . . . 1.14 109.543 177.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.615 ' HB ' HG23 ' A' ' 33' ' ' THR . 55.8 t -100.26 -102.96 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.423 -1.797 0 CA-C-N 114.275 -1.33 . . . . 1.79 109.114 -177.128 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.9 t70 176.26 -173.42 0.09 Allowed 'General case' 0 C--N 1.31 -1.109 0 N-CA-C 105.988 -1.856 . . . . 0.79 105.988 -177.187 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 66.0 m -83.51 -44.78 14.32 Favored 'General case' 0 C--N 1.294 -1.83 0 CA-C-O 121.699 0.761 . . . . 1.23 109.883 -178.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 87.5 mt -78.73 -45.11 21.94 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-N 115.021 -0.991 . . . . 1.02 112.429 -169.002 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.542 ' O ' HG23 ' A' ' 46' ' ' VAL . 2.9 p -70.08 -23.42 63.07 Favored 'General case' 0 N--CA 1.424 -1.772 0 CA-C-N 115.308 -0.86 . . . . 1.02 110.869 -175.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.439 ' CE ' HG23 ' A' ' 33' ' ' THR . 25.3 tpp -61.54 -43.46 98.82 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.538 -0.755 . . . . 0.55 110.63 177.472 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 48.6 t -69.98 -32.96 53.33 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.97 0 CA-C-N 115.411 -0.813 . . . . 0.56 109.507 -177.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.638 ' HB2' HG21 ' A' ' 18' ' ' ILE . 46.6 mt-10 -68.65 -37.45 79.68 Favored 'General case' 0 N--CA 1.437 -1.121 0 N-CA-C 109.717 -0.475 . . . . 2.08 109.717 178.507 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 42' ' ' SER . 86.0 t -58.87 -47.48 89.35 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.297 0 N-CA-C 109.466 -0.568 . . . . 0.52 109.466 176.214 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.436 HG22 HG21 ' A' ' 63' ' ' VAL . 62.6 t -54.8 -63.67 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 O-C-N 123.58 0.55 . . . . 0.38 109.554 176.069 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 76.2 t -45.03 -53.55 1.54 Allowed 'Isoleucine or valine' 0 CA--C 1.553 1.08 0 O-C-N 124.202 0.939 . . . . 0.58 112.1 177.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.98 -36.82 85.22 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 111.918 0.34 . . . . 0.42 111.918 -178.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.64 -37.27 85.67 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.588 0.232 . . . . 0.38 111.143 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.638 ' HG2' ' H ' ' A' ' 58' ' ' ILE . 43.0 mt-10 -57.55 -47.71 81.31 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.181 0.515 . . . . 1.36 109.878 177.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -76.06 -40.61 52.87 Favored 'General case' 0 C--N 1.306 -1.3 0 CA-C-N 115.943 -0.572 . . . . 2.09 111.962 -178.056 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 22.1 tpt180 -68.06 -35.09 77.65 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.405 0.621 . . . . 2.75 110.704 -172.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.459 ' HB2' HG22 ' A' ' 56' ' ' VAL . 6.6 m-85 -97.53 -4.03 38.65 Favored 'General case' 0 C--N 1.299 -1.616 0 CA-C-N 115.242 -0.89 . . . . 0.73 110.519 -177.083 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 62.65 19.63 11.47 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 124.625 1.17 . . . . 2.02 112.177 179.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.459 HG22 ' HB2' ' A' ' 54' ' ' PHE . 32.1 m -109.83 -166.72 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.352 0 CA-C-N 115.62 -0.718 . . . . 1.61 109.233 -178.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.41 ' HD2' ' O ' ' A' ' 56' ' ' VAL . 13.9 mmmm -128.68 120.43 26.5 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 108.633 -0.877 . . . . 1.67 108.633 172.364 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.638 ' H ' ' HG2' ' A' ' 51' ' ' GLU . 30.9 mt -127.45 86.08 59.38 Favored Pre-proline 0 C--N 1.296 -1.751 0 N-CA-C 105.39 -2.078 . . . . 0.49 105.39 177.027 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -69.09 143.39 53.94 Favored 'Trans proline' 0 N--CA 1.445 -1.374 0 C-N-CA 121.57 1.514 . . . . 0.62 112.921 -174.131 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.492 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 23.8 t70 -43.61 -27.97 0.35 Allowed 'General case' 0 C--O 1.207 -1.171 0 C-N-CA 124.994 1.318 . . . . 2.0 112.702 174.349 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -70.07 -59.1 3.11 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-O 120.757 0.313 . . . . 2.09 111.522 177.062 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -76.26 -22.75 54.76 Favored 'General case' 0 N--CA 1.486 1.328 0 N-CA-C 112.537 0.569 . . . . 1.58 112.537 -174.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.478 HG23 HD12 ' A' ' 66' ' ' LEU . 4.2 p -63.72 -22.45 30.97 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.57 0 CA-C-O 121.288 0.566 . . . . 0.69 110.786 -179.265 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.492 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 64.0 mttm -72.41 -2.71 20.43 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 115.692 -0.686 . . . . 2.44 112.566 -177.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -107.14 6.61 28.96 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-O 122.357 1.075 . . . . 1.94 108.731 176.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.796 HD13 ' HA ' ' A' ' 72' ' ' ALA . 64.0 mt -94.9 -68.12 0.82 Allowed 'General case' 0 C--O 1.201 -1.466 0 O-C-N 121.74 -0.6 . . . . 1.67 110.524 -179.706 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . 0.411 0.1 OUTLIER 59.7 -28.34 0.04 OUTLIER 'General case' 0 N--CA 1.5 2.052 0 N-CA-C 116.698 2.11 . . . . 3.18 116.698 178.598 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.531 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 66.8 p -111.88 169.05 9.1 Favored 'General case' 0 CA--C 1.488 -1.432 0 O-C-N 121.271 -0.893 . . . . 0.51 110.201 174.56 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.736 HG11 HG13 ' A' ' 26' ' ' VAL . 3.3 m -69.35 -36.62 72.97 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.287 0 CA-C-N 113.863 -1.517 . . . . 0.35 109.991 173.093 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -70.75 -47.9 37.74 Favored Glycine 0 N--CA 1.442 -0.923 0 CA-C-N 115.481 -0.782 . . . . 0.3 111.716 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -61.37 -39.32 90.21 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 110.083 -0.34 . . . . 1.79 110.083 177.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.796 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -57.99 -59.46 5.23 Favored 'General case' 0 C--O 1.217 -0.636 0 N-CA-C 109.673 -0.491 . . . . 0.29 109.673 177.699 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.423 ' HA ' HG21 ' A' ' 7' ' ' ILE . 92.4 m -48.91 -42.2 36.21 Favored 'General case' 0 C--O 1.214 -0.779 0 C-N-CA 124.277 1.031 . . . . 0.31 112.695 175.077 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -59.2 -40.22 85.07 Favored 'General case' 0 C--N 1.313 -1.008 0 C-N-CA 123.392 0.677 . . . . 2.93 110.123 179.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -76.41 -40.47 50.71 Favored 'General case' 0 C--O 1.216 -0.67 0 CA-C-N 115.855 -0.611 . . . . 0.53 109.641 178.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.515 HG13 ' O ' ' A' ' 72' ' ' ALA . 75.3 mt -66.51 -41.89 89.26 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.551 0 N-CA-C 109.946 -0.391 . . . . 0.27 109.946 -178.043 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.463 ' HA ' ' HG2' ' A' ' 80' ' ' GLN . 29.0 tp -65.56 -24.97 67.22 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 121.126 0.489 . . . . 1.15 110.136 178.745 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -84.79 -41.68 15.89 Favored 'General case' 0 C--N 1.307 -1.273 0 CA-C-N 115.381 -0.827 . . . . 0.67 110.44 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -91.17 5.57 48.5 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 115.371 -0.831 . . . . 1.53 112.197 -176.046 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.463 ' HG2' ' HA ' ' A' ' 77' ' ' LEU . 72.0 mm-40 -35.52 137.73 0.18 Allowed 'General case' 0 C--O 1.249 1.078 0 N-CA-C 115.123 1.527 . . . . 0.89 115.123 178.612 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.42 -1.954 0 CA-C-N 114.309 -1.314 . . . . 2.36 107.551 177.746 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.682 ' O ' HG13 ' A' ' 7' ' ' ILE . 64.2 p . . . . . 0 N--CA 1.426 -1.659 0 N-CA-C 107.448 -1.315 . . . . 1.05 107.448 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.566 ' HA ' HD12 ' A' ' 7' ' ' ILE . 52.7 mt-30 -69.74 -20.97 63.5 Favored 'General case' 0 C--N 1.275 -2.649 0 CA-C-O 121.367 0.603 . . . . 1.25 110.845 -177.355 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -73.93 -41.27 62.3 Favored 'General case' 0 C--O 1.204 -1.327 0 N-CA-C 108.279 -1.008 . . . . 2.3 108.279 176.092 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -61.45 -38.17 86.23 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.061 -0.972 . . . . 1.92 108.844 178.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.706 HG21 ' HA ' ' A' ' 73' ' ' THR . 52.3 mt -62.51 -60.45 2.72 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.844 0 CA-C-N 114.985 -1.007 . . . . 0.29 108.914 177.785 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.4 t -54.3 -40.46 48.05 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.082 0 CA-C-N 115.816 -0.629 . . . . 0.32 111.782 177.396 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.31 -40.02 95.08 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.013 0.435 . . . . 0.32 110.218 177.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.06 -40.06 96.77 Favored Glycine 0 C--O 1.209 -1.454 0 N-CA-C 110.088 -1.205 . . . . 0.31 110.088 177.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.403 ' O ' HG23 ' A' ' 15' ' ' VAL . 94.6 mt -63.31 -47.12 83.58 Favored 'General case' 0 C--N 1.306 -1.32 0 N-CA-C 109.878 -0.416 . . . . 0.29 109.878 175.246 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.517 ' HB1' HG13 ' A' ' 23' ' ' VAL . . . -56.72 -43.77 80.94 Favored 'General case' 0 C--N 1.318 -0.787 0 C-N-CA 123.615 0.766 . . . . 0.24 112.466 -178.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -65.82 -43.77 87.6 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-O 121.004 0.43 . . . . 1.46 111.6 179.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.469 HG23 HD12 ' A' ' 18' ' ' ILE . 95.8 mt -63.24 -51.56 69.72 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.295 0 CA-C-N 115.607 -0.724 . . . . 0.41 110.102 178.514 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 11' ' ' LEU . 89.3 t -61.01 -37.6 77.65 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 CA-C-N 115.771 -0.649 . . . . 0.29 111.383 -179.623 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.444 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 3.7 t-20 -65.62 -37.55 86.91 Favored 'General case' 0 C--N 1.305 -1.359 0 C-N-CA 120.277 -0.569 . . . . 0.64 110.578 -179.377 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -81.34 -48.13 12.38 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 116.099 -0.501 . . . . 2.0 111.828 -177.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.681 HG21 ' HB2' ' A' ' 45' ' ' GLU . 97.0 mt -81.33 -53.25 12.64 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.192 0 N-CA-C 112.038 0.385 . . . . 0.28 112.038 -176.677 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.715 ' HB1' HG21 ' A' ' 38' ' ' VAL . . . -79.68 -36.73 37.18 Favored 'General case' 0 C--N 1.31 -1.145 0 CA-C-O 121.219 0.533 . . . . 0.34 110.291 -176.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.86 7.96 60.93 Favored Glycine 0 C--N 1.31 -0.879 0 C-N-CA 120.75 -0.738 . . . . 0.46 111.297 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.646 HG21 HD22 ' A' ' 36' ' ' LEU . 51.0 mm -91.44 130.62 38.85 Favored Pre-proline 0 C--N 1.314 -0.966 0 N-CA-C 108.987 -0.746 . . . . 0.42 108.987 -178.785 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.485 ' O ' HG23 ' A' ' 26' ' ' VAL . 6.5 Cg_exo -34.99 127.1 0.23 Allowed 'Trans proline' 0 C--N 1.352 0.756 1 C-N-CA 125.406 4.07 . . . . 0.41 114.981 175.713 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.517 HG13 ' HB1' ' A' ' 12' ' ' ALA . 71.1 t -51.2 -33.28 13.47 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.252 0 C-N-CA 124.787 1.235 . . . . 0.69 109.01 174.186 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -82.02 -25.09 34.98 Favored 'General case' 0 N--CA 1.413 -2.275 0 CA-C-N 113.966 -1.47 . . . . 2.34 112.276 -174.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.471 ' O ' ' HE3' ' A' ' 30' ' ' LYS . 26.9 t70 -82.99 -19.39 37.13 Favored 'General case' 0 CA--C 1.503 -0.842 0 N-CA-C 108.337 -0.986 . . . . 0.69 108.337 178.83 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 22' ' ' PRO . 58.4 t -73.75 76.51 0.37 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.694 0 CA-C-O 122.411 1.1 . . . . 0.4 108.743 175.008 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.588 ' O ' HG21 ' A' ' 69' ' ' VAL . 94.3 mttt -91.57 -145.71 0.2 Allowed 'General case' 0 C--N 1.305 -1.34 0 CA-C-N 114.05 -1.432 . . . . 1.67 108.406 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.0 tt -114.66 -13.93 12.07 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 119.386 0.994 . . . . 1.08 111.657 -175.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -87.99 -9.77 52.46 Favored 'General case' 0 C--N 1.301 -1.503 0 CA-C-O 122.466 1.127 . . . . 2.11 109.596 179.452 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.611 ' O ' HG22 ' A' ' 69' ' ' VAL . 66.8 mmtt -72.21 114.35 10.23 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-N 114.281 -1.327 . . . . 1.02 114.522 -172.053 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.553 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 3.9 m -85.34 36.07 0.62 Allowed 'General case' 0 C--N 1.287 -2.126 0 CA-C-N 115.031 -0.986 . . . . 1.16 113.503 -178.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.676 ' HA ' HD12 ' A' ' 36' ' ' LEU . 50.2 m-85 48.97 -111.21 0.44 Allowed 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 114.318 1.229 . . . . 0.36 114.318 179.544 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.08 38.22 0.13 Allowed 'General case' 0 C--N 1.314 -0.943 0 N-CA-C 114.025 1.12 . . . . 0.47 114.025 -179.192 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.45 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 9.7 t70 -143.19 -66.53 0.37 Allowed 'General case' 0 C--N 1.296 -1.745 0 CA-C-N 114.881 -1.054 . . . . 0.73 108.598 177.402 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -76.59 -51.29 11.89 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 119.484 -0.886 . . . . 1.46 109.8 179.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.676 HD12 ' HA ' ' A' ' 32' ' ' PHE . 79.4 mt -66.33 -50.73 62.6 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 107.695 -1.224 . . . . 0.58 107.695 177.595 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.1 t70 66.43 90.72 0.09 Allowed 'General case' 0 CA--C 1.507 -0.699 0 CA-C-N 114.466 -1.243 . . . . 1.14 109.624 177.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.715 HG21 ' HB1' ' A' ' 19' ' ' ALA . 4.0 p -119.97 -89.23 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.412 -2.339 0 N-CA-C 114.456 1.28 . . . . 1.79 114.456 -179.316 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.687 ' H ' HG13 ' A' ' 38' ' ' VAL . 7.6 t70 -158.18 172.38 18.49 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 106.225 -1.769 . . . . 0.79 106.225 -172.335 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 47.6 t -95.51 -39.88 9.74 Favored 'General case' 0 C--N 1.265 -3.104 0 CA-C-O 121.895 0.855 . . . . 1.23 109.117 -174.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 68.2 mt -79.63 -24.99 41.52 Favored 'General case' 0 C--N 1.301 -1.543 0 CA-C-N 114.777 -1.101 . . . . 1.02 109.382 -172.442 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.509 ' O ' HG23 ' A' ' 46' ' ' VAL . 31.4 m -79.38 -26.82 41.9 Favored 'General case' 0 N--CA 1.423 -1.781 0 CA-C-N 115.138 -0.937 . . . . 1.02 109.532 176.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.485 ' CE ' ' HB3' ' A' ' 32' ' ' PHE . 32.7 tpp -67.59 -40.2 84.81 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.482 0.658 . . . . 0.55 110.284 -178.194 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.463 ' O ' HG23 ' A' ' 48' ' ' VAL . 40.4 t -67.18 -36.95 78.21 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.249 0 CA-C-N 115.373 -0.831 . . . . 0.56 109.758 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.681 ' HB2' HG21 ' A' ' 18' ' ' ILE . 31.6 mm-40 -66.3 -35.21 79.8 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 116.5 -0.318 . . . . 2.08 110.397 178.213 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 42' ' ' SER . 99.5 t -60.58 -45.16 97.68 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.644 0 N-CA-C 108.899 -0.778 . . . . 0.52 108.899 176.277 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.679 HG22 HG21 ' A' ' 63' ' ' VAL . 59.4 t -54.32 -62.47 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 N-CA-C 108.812 -0.81 . . . . 0.38 108.812 175.198 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 44' ' ' VAL . 95.5 t -41.68 -60.04 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 124.278 0.986 . . . . 0.58 111.218 175.42 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.6 -39.72 92.25 Favored 'General case' 0 C--O 1.218 -0.595 0 N-CA-C 112.61 0.596 . . . . 0.42 112.61 -177.284 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.3 -37.59 78.1 Favored 'General case' 0 C--O 1.241 0.636 0 C-N-CA 122.297 0.239 . . . . 0.38 111.243 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.655 ' HG2' ' H ' ' A' ' 58' ' ' ILE . 28.6 mt-10 -59.99 -42.16 93.62 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 116.282 -0.417 . . . . 1.36 110.596 177.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -81.35 -39.29 25.3 Favored 'General case' 0 C--N 1.309 -1.173 0 O-C-N 124.012 0.82 . . . . 2.09 111.644 -176.127 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 51.7 tpt85 -72.21 -36.76 69.25 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.422 0.629 . . . . 2.75 110.766 -174.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.525 ' CE2' HD13 ' A' ' 76' ' ' ILE . 24.3 m-85 -99.78 -16.72 18.0 Favored 'General case' 0 C--N 1.292 -1.892 0 C-N-CA 120.127 -0.629 . . . . 0.73 111.447 -178.588 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 33.5 t70 64.76 13.13 8.21 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 124.749 1.22 . . . . 2.02 110.236 -179.327 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.507 HG12 ' HA ' ' A' ' 80' ' ' GLN . 33.1 m -88.42 -13.43 9.94 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.83 0 CA-C-N 115.13 -0.941 . . . . 1.61 111.255 -175.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.429 ' HE2' ' OE1' ' A' ' 51' ' ' GLU . 14.2 mmmm 53.54 88.36 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 124.715 1.206 . . . . 1.67 112.139 -177.369 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.655 ' H ' ' HG2' ' A' ' 51' ' ' GLU . 23.9 mt -98.38 97.98 5.27 Favored Pre-proline 0 C--N 1.307 -1.247 0 N-CA-C 107.436 -1.32 . . . . 0.49 107.436 176.057 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -72.53 147.96 47.04 Favored 'Trans proline' 0 N--CA 1.44 -1.663 0 C-N-CA 120.968 1.112 . . . . 0.62 111.491 -177.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.591 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 5.5 m-20 -42.72 -34.34 0.89 Allowed 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 125.166 1.387 . . . . 2.0 112.328 176.045 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.476 ' HA ' ' HE2' ' A' ' 64' ' ' LYS . 12.6 t70 -62.52 -56.97 13.03 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-O 121.186 0.517 . . . . 2.09 110.799 179.255 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -74.64 -27.66 60.54 Favored 'General case' 0 CA--C 1.487 -1.454 0 CA-C-N 116.267 -0.424 . . . . 1.58 111.111 -175.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.679 HG21 HG22 ' A' ' 47' ' ' VAL . 1.1 p -61.7 -22.86 29.32 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 CA-C-O 121.289 0.566 . . . . 0.69 110.823 -177.618 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.591 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 54.4 mtmt -71.4 -8.79 56.1 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-N 115.55 -0.75 . . . . 2.44 112.058 -179.068 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 28.7 m-80 -102.95 0.66 32.62 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 116.166 -0.47 . . . . 1.94 109.753 -178.089 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.663 HD13 ' HA ' ' A' ' 72' ' ' ALA . 70.9 mt -90.09 -62.86 1.37 Allowed 'General case' 0 C--N 1.312 -1.038 0 C-N-CA 120.718 -0.393 . . . . 1.67 110.866 -175.572 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . 0.522 0.0 OUTLIER 57.44 -6.23 0.04 OUTLIER 'General case' 0 CA--C 1.559 1.327 0 N-CA-C 118.405 2.742 . . . . 3.18 118.405 179.709 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.553 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 57.2 p -137.19 172.85 12.38 Favored 'General case' 0 CA--C 1.498 -1.029 0 O-C-N 121.319 -0.863 . . . . 0.51 109.487 169.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.611 HG22 ' O ' ' A' ' 30' ' ' LYS . 2.4 m -69.91 -45.55 76.52 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.573 0 CA-C-N 114.757 -1.11 . . . . 0.35 109.783 171.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -63.47 -42.66 98.93 Favored Glycine 0 N--CA 1.446 -0.639 0 CA-C-N 116.178 -0.465 . . . . 0.3 112.936 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -70.76 -32.53 69.7 Favored 'General case' 0 CA--C 1.508 -0.673 0 O-C-N 122.463 -0.433 . . . . 1.79 110.395 178.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.663 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -60.55 -57.14 14.0 Favored 'General case' 0 C--O 1.208 -1.104 0 N-CA-C 108.245 -1.021 . . . . 0.29 108.245 173.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.706 ' HA ' HG21 ' A' ' 7' ' ' ILE . 85.2 m -47.7 -41.99 23.97 Favored 'General case' 0 C--O 1.209 -1.073 0 C-N-CA 124.365 1.066 . . . . 0.31 112.748 174.276 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -59.55 -42.28 92.03 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 118.109 0.413 . . . . 2.93 110.658 177.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.476 ' O ' ' HB2' ' A' ' 79' ' ' HIS . 55.0 t80 -72.21 -42.46 65.75 Favored 'General case' 0 C--O 1.205 -1.28 0 N-CA-C 109.137 -0.69 . . . . 0.53 109.137 179.78 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.601 HG12 HD11 ' A' ' 58' ' ' ILE . 76.0 mt -65.57 -43.87 94.03 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.288 0 CA-C-N 116.078 -0.51 . . . . 0.27 109.927 -178.818 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.493 ' HA ' HE21 ' A' ' 80' ' ' GLN . 21.0 tp -63.88 -26.26 68.53 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.205 0.526 . . . . 1.15 110.794 178.481 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -87.53 -34.3 18.66 Favored 'General case' 0 C--N 1.304 -1.411 0 CA-C-O 121.81 0.814 . . . . 0.67 110.425 -179.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.476 ' HB2' ' O ' ' A' ' 75' ' ' TYR . 0.2 OUTLIER -92.85 2.78 56.59 Favored 'General case' 0 C--N 1.308 -1.199 0 CA-C-N 114.991 -1.004 . . . . 1.53 111.172 -176.073 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.507 ' HA ' HG12 ' A' ' 56' ' ' VAL . 67.6 mm-40 -38.16 133.35 0.93 Allowed 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 115.575 1.694 . . . . 0.89 115.575 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.421 -1.907 0 N-CA-C 107.084 -1.45 . . . . 2.36 107.084 174.464 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.501 ' O ' HG13 ' A' ' 7' ' ' ILE . 23.8 m . . . . . 0 N--CA 1.424 -1.746 0 N-CA-C 108.109 -1.071 . . . . 1.05 108.109 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.457 ' HA ' HD12 ' A' ' 7' ' ' ILE . 27.0 mt-30 -49.26 -37.24 22.91 Favored 'General case' 0 N--CA 1.485 1.298 0 N-CA-C 112.809 0.67 . . . . 1.25 112.809 -178.247 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -64.45 -33.86 76.85 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 116.243 -0.435 . . . . 2.3 110.905 179.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -72.31 -37.97 68.82 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.078 -0.712 . . . . 1.92 109.078 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.501 HG13 ' O ' ' A' ' 3' ' ' THR . 19.8 mt -63.0 -58.49 7.36 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.045 0 N-CA-C 108.393 -0.966 . . . . 0.29 108.393 179.395 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.469 HG21 HD11 ' A' ' 28' ' ' LEU . 57.4 t -54.53 -38.71 42.79 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.272 0 CA-C-N 115.618 -0.719 . . . . 0.32 111.287 177.546 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.418 ' O ' ' HG2' ' A' ' 13' ' ' GLU . . . -66.88 -41.74 86.73 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.606 0.241 . . . . 0.32 110.857 178.36 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.12 -41.4 99.75 Favored Glycine 0 N--CA 1.445 -0.702 0 N-CA-C 110.592 -1.003 . . . . 0.31 110.592 176.446 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.5 ' O ' HG23 ' A' ' 15' ' ' VAL . 76.9 mt -61.22 -45.86 92.84 Favored 'General case' 0 N--CA 1.436 -1.153 0 C-N-CA 123.127 0.571 . . . . 0.29 110.154 175.554 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.429 ' HB1' HG13 ' A' ' 23' ' ' VAL . . . -56.79 -41.58 77.95 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 123.894 0.878 . . . . 0.24 111.823 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.418 ' HG2' ' O ' ' A' ' 9' ' ' ALA . 7.8 mm-40 -53.94 -51.21 64.52 Favored 'General case' 0 N--CA 1.488 1.464 0 CA-C-O 122.132 0.968 . . . . 1.46 109.401 175.746 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 95.9 mt -63.42 -50.08 80.1 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.935 0 CA-C-N 113.38 -1.736 . . . . 0.41 110.674 -177.19 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 11' ' ' LEU . 90.6 t -58.25 -47.11 88.37 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.682 0 CA-C-N 115.959 -0.564 . . . . 0.29 110.481 178.799 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -64.71 -33.13 75.23 Favored 'General case' 0 C--N 1.302 -1.497 0 CA-C-O 121.085 0.469 . . . . 0.64 111.344 -177.382 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -69.87 -57.59 4.88 Favored 'General case' 0 C--N 1.304 -1.403 0 CA-C-N 115.593 -0.731 . . . . 2.0 110.719 177.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.734 HG22 ' HB3' ' A' ' 42' ' ' SER . 59.6 mt -82.95 -53.39 11.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.808 -0.633 . . . . 0.28 111.817 -171.292 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.699 ' HB2' HG13 ' A' ' 38' ' ' VAL . . . -75.94 -37.41 58.69 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.051 0.453 . . . . 0.34 110.278 -178.384 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 87.29 18.24 57.65 Favored Glycine 0 C--O 1.226 -0.392 0 N-CA-C 111.446 -0.662 . . . . 0.46 111.446 -178.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.437 ' HA ' ' HD2' ' A' ' 22' ' ' PRO . 51.4 mm -98.72 134.36 21.7 Favored Pre-proline 0 C--N 1.313 -1.009 0 N-CA-C 109.842 -0.429 . . . . 0.42 109.842 -177.024 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.437 ' HD2' ' HA ' ' A' ' 21' ' ' ILE . 20.1 Cg_exo -28.74 123.64 0.05 OUTLIER 'Trans proline' 0 C--N 1.371 1.756 1 C-N-CA 126.087 4.524 . . . . 0.41 115.108 174.775 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.475 ' O ' ' HB ' ' A' ' 26' ' ' VAL . 71.3 t -50.95 -47.69 29.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 113.87 -1.514 . . . . 0.69 108.828 176.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -79.67 -3.7 48.43 Favored 'General case' 0 N--CA 1.418 -2.026 0 N-CA-C 114.322 1.23 . . . . 2.34 114.322 -176.366 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.629 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 26.3 t70 -87.79 -16.45 34.11 Favored 'General case' 0 N--CA 1.437 -1.106 0 C-N-CA 118.088 -1.445 . . . . 0.69 108.503 175.776 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.493 HG13 HG11 ' A' ' 69' ' ' VAL . 20.6 t -72.93 85.47 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.394 0 CA-C-O 122.965 1.364 . . . . 0.4 108.245 172.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.595 ' NZ ' ' HA ' ' A' ' 25' ' ' ASP . 54.2 mttp -97.03 -134.12 0.23 Allowed 'General case' 0 C--N 1.303 -1.438 0 CA-C-N 112.805 -1.998 . . . . 1.67 107.589 179.174 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.641 ' HA ' HG23 ' A' ' 69' ' ' VAL . 8.2 mp -124.78 -17.25 5.94 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 118.987 0.812 . . . . 1.08 112.647 174.05 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -88.45 -0.76 57.54 Favored 'General case' 0 N--CA 1.491 1.623 0 CA-C-O 123.256 1.503 . . . . 2.11 109.181 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.672 ' O ' HG22 ' A' ' 69' ' ' VAL . 71.9 mmtt -86.44 97.66 10.59 Favored 'General case' 0 C--N 1.289 -2.056 0 CA-C-N 113.744 -1.571 . . . . 1.02 113.293 -175.414 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.644 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 12.0 m -70.94 111.69 6.53 Favored 'General case' 0 N--CA 1.401 -2.913 0 N-CA-C 107.333 -1.358 . . . . 1.16 107.333 171.534 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.744 ' HA ' HD12 ' A' ' 36' ' ' LEU . 77.0 m-85 -29.59 -88.56 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 114.53 1.308 . . . . 0.36 114.53 177.154 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.599 HG23 ' HB ' ' A' ' 38' ' ' VAL . 0.8 OUTLIER -82.81 66.87 8.63 Favored 'General case' 0 C--N 1.298 -1.671 0 N-CA-C 113.031 0.752 . . . . 0.47 113.031 176.105 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.644 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 23.0 t70 -169.77 -59.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.223 -0.899 . . . . 0.73 110.682 178.359 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -101.65 -31.03 11.01 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 121.488 0.661 . . . . 1.46 109.971 -175.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.744 HD12 ' HA ' ' A' ' 32' ' ' PHE . 88.2 mt -83.52 -49.95 8.75 Favored 'General case' 0 CA--C 1.507 -0.682 0 N-CA-C 109.477 -0.564 . . . . 0.58 109.477 175.337 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.6 t70 78.5 92.24 0.06 Allowed 'General case' 0 CA--C 1.512 -0.488 0 C-N-CA 125.471 1.509 . . . . 1.14 110.235 -178.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.699 HG13 ' HB2' ' A' ' 19' ' ' ALA . 84.5 t -102.15 -94.72 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.308 -1.227 0 CA-C-N 114.214 -1.357 . . . . 1.79 110.091 -173.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.6 t70 174.88 -178.37 0.1 Allowed 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 104.421 -2.437 . . . . 0.79 104.421 -178.385 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 24.3 t -98.54 -41.22 7.86 Favored 'General case' 0 C--N 1.267 -2.992 0 CA-C-O 121.469 0.652 . . . . 1.23 109.527 -174.407 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 83.8 mt -78.76 -31.55 46.23 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 108.835 -0.802 . . . . 1.02 108.835 -177.09 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.734 ' HB3' HG22 ' A' ' 18' ' ' ILE . 15.0 m -70.76 -29.46 65.69 Favored 'General case' 0 N--CA 1.422 -1.832 0 CA-C-N 114.312 -1.313 . . . . 1.02 109.795 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.498 ' HE2' ' HB2' ' A' ' 43' ' ' MET . 31.2 tpp -62.77 -43.01 99.92 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 115.663 -0.699 . . . . 0.55 111.509 -177.702 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.409 ' O ' HG23 ' A' ' 48' ' ' VAL . 47.7 t -70.78 -29.44 37.76 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.493 0 CA-C-N 115.614 -0.721 . . . . 0.56 109.859 -176.676 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -72.96 -35.72 66.99 Favored 'General case' 0 N--CA 1.439 -0.981 0 N-CA-C 109.7 -0.482 . . . . 2.08 109.7 177.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 42' ' ' SER . 93.3 t -59.27 -45.91 92.73 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 N-CA-C 109.25 -0.648 . . . . 0.52 109.25 176.702 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.429 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 59.9 t -55.81 -63.21 0.63 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 CA-C-N 115.817 -0.629 . . . . 0.38 109.354 176.308 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.627 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 87.4 t -49.48 -48.08 19.81 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.348 0 O-C-N 123.858 0.723 . . . . 0.58 112.277 179.105 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.01 -29.2 68.96 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 112.44 0.533 . . . . 0.42 112.44 -178.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.55 -37.91 83.39 Favored 'General case' 0 C--O 1.25 1.112 0 CA-C-O 120.707 0.289 . . . . 0.38 110.312 178.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.627 ' OE1' ' HA ' ' A' ' 48' ' ' VAL . 26.6 mt-10 -59.72 -48.56 81.21 Favored 'General case' 0 CA--C 1.518 -0.256 0 N-CA-C 107.918 -1.141 . . . . 1.36 107.918 177.439 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -64.3 -30.64 71.68 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-N 113.706 -1.588 . . . . 2.09 111.062 -178.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.425 ' HD2' ' HA ' ' A' ' 53' ' ' ARG . 20.2 tpt180 -80.73 -53.29 6.64 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-O 121.096 0.474 . . . . 2.75 110.738 -173.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.559 ' HB2' HG12 ' A' ' 56' ' ' VAL . 55.1 m-85 -93.39 -6.53 46.97 Favored 'General case' 0 C--N 1.3 -1.552 0 CA-C-N 115.865 -0.607 . . . . 0.73 112.561 -171.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.2 t70 70.74 16.48 6.74 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.834 1.253 . . . . 2.02 111.014 178.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.586 ' O ' ' HA ' ' A' ' 51' ' ' GLU . 3.7 p -107.72 116.12 50.44 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.527 0 N-CA-C 107.668 -1.234 . . . . 1.61 107.668 176.043 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.9 tmtm? -73.16 96.77 2.28 Favored 'General case' 0 C--N 1.293 -1.854 0 CA-C-N 115.281 -0.872 . . . . 1.67 109.345 -175.487 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.619 ' H ' ' HG2' ' A' ' 51' ' ' GLU . 19.2 mt -101.04 99.12 9.83 Favored Pre-proline 0 C--N 1.312 -1.024 0 N-CA-C 108.216 -1.031 . . . . 0.49 108.216 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -74.13 149.82 41.7 Favored 'Trans proline' 0 N--CA 1.445 -1.358 0 C-N-CA 121.636 1.558 . . . . 0.62 111.091 -178.349 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.517 ' HA ' ' CG1' ' A' ' 63' ' ' VAL . 4.6 p-10 -59.92 -14.61 16.45 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 122.992 0.517 . . . . 2.0 111.183 178.134 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.453 ' HA ' ' HE2' ' A' ' 64' ' ' LYS . 28.0 t70 -68.25 -56.84 7.24 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.048 -0.524 . . . . 2.09 111.518 174.262 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -83.87 -25.36 30.31 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-O 121.104 0.478 . . . . 1.58 110.839 -175.268 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.517 ' CG1' ' HA ' ' A' ' 60' ' ' ASP . 1.4 p -57.35 -21.71 15.86 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.861 0 CA-C-N 115.768 -0.651 . . . . 0.69 111.363 -179.486 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.453 ' HE2' ' HA ' ' A' ' 61' ' ' ASP . 62.9 mttm -60.97 -13.16 14.28 Favored 'General case' 0 C--O 1.218 -0.591 0 C-N-CA 124.043 0.937 . . . . 2.44 112.853 -178.312 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 45.2 m-80 -91.28 -18.55 24.17 Favored 'General case' 0 CA--C 1.501 -0.912 0 N-CA-C 108.867 -0.79 . . . . 1.94 108.867 -179.377 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.789 HD13 ' HA ' ' A' ' 72' ' ' ALA . 14.1 mt -93.9 109.97 21.66 Favored 'General case' 0 N--CA 1.42 -1.972 0 N-CA-C 106.025 -1.843 . . . . 1.67 106.025 -179.516 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.78 -3.9 14.81 Favored 'General case' 0 C--N 1.28 -2.422 0 N-CA-C 113.539 0.94 . . . . 3.18 113.539 -178.481 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.605 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 81.3 p -129.44 176.13 8.21 Favored 'General case' 0 N--CA 1.432 -1.335 0 CA-C-O 121.397 0.618 . . . . 0.51 110.046 175.649 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.672 HG22 ' O ' ' A' ' 30' ' ' LYS . 2.2 m -66.71 -31.34 53.08 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.608 0 CA-C-N 114.243 -1.344 . . . . 0.35 110.098 171.41 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -73.8 -43.89 33.46 Favored Glycine 0 N--CA 1.431 -1.657 0 N-CA-C 110.495 -1.042 . . . . 0.3 110.495 178.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.545 ' HB3' ' HA ' ' A' ' 66' ' ' LEU . 10.6 m-20 -61.75 -41.87 98.23 Favored 'General case' 0 CA--C 1.5 -0.965 0 C-N-CA 122.169 0.188 . . . . 1.79 110.605 177.52 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.789 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -55.41 -59.77 4.34 Favored 'General case' 0 CA--C 1.517 -0.311 0 N-CA-C 108.973 -0.751 . . . . 0.29 108.973 176.58 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.477 ' HA ' HG21 ' A' ' 7' ' ' ILE . 91.6 m -48.71 -42.96 36.68 Favored 'General case' 0 C--O 1.192 -1.941 0 C-N-CA 124.011 0.924 . . . . 0.31 112.737 173.008 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -60.27 -33.19 71.97 Favored 'General case' 0 C--N 1.317 -0.83 0 C-N-CA 123.617 0.767 . . . . 2.93 111.068 -179.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.59 ' HB2' HD21 ' A' ' 66' ' ' LEU . 37.9 t80 -76.9 -54.85 6.05 Favored 'General case' 0 C--O 1.205 -1.241 0 N-CA-C 107.703 -1.221 . . . . 0.53 107.703 176.748 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.553 HG12 HD11 ' A' ' 58' ' ' ILE . 73.7 mt -56.56 -50.03 75.1 Favored 'Isoleucine or valine' 0 C--O 1.193 -1.918 0 C-N-CA 124.632 1.173 . . . . 0.27 111.373 -176.439 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 46.7 tp -53.5 -38.19 63.47 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.842 0.857 . . . . 1.15 111.349 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -87.08 -39.71 15.34 Favored 'General case' 0 C--N 1.293 -1.882 0 CA-C-N 114.511 -1.222 . . . . 0.67 111.446 -175.459 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 31.1 m-70 -90.62 5.33 48.41 Favored 'General case' 0 C--N 1.294 -1.808 0 CA-C-N 114.637 -1.165 . . . . 1.53 112.322 -175.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.515 ' NE2' HG22 ' A' ' 76' ' ' ILE . 69.5 mm-40 -37.92 140.62 0.25 Allowed 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 125.326 1.45 . . . . 0.89 114.547 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.418 -2.074 0 N-CA-C 107.099 -1.445 . . . . 2.36 107.099 174.652 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.555 ' O ' HG13 ' A' ' 7' ' ' ILE . 1.2 m . . . . . 0 N--CA 1.431 -1.385 0 N-CA-C 107.358 -1.349 . . . . 1.05 107.358 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.53 ' HA ' HD12 ' A' ' 7' ' ' ILE . 50.5 mt-30 -60.01 -29.85 68.75 Favored 'General case' 0 C--N 1.314 -0.955 0 N-CA-C 114.725 1.38 . . . . 1.25 114.725 -168.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -75.59 -37.48 59.82 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 108.077 -1.082 . . . . 2.3 108.077 -178.425 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.422 ' HB3' ' O ' ' A' ' 3' ' ' THR . 10.0 tp10 -62.71 -36.2 82.2 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 124.629 1.172 . . . . 1.92 108.667 175.259 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.555 HG13 ' O ' ' A' ' 3' ' ' THR . 46.8 mt -65.61 -57.5 10.57 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.471 0 N-CA-C 108.662 -0.866 . . . . 0.29 108.662 176.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.4 t -53.12 -39.06 31.98 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.957 0 CA-C-N 116.189 -0.459 . . . . 0.32 111.273 176.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.38 -38.45 84.75 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.182 0.515 . . . . 0.32 110.596 177.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.78 -35.12 91.54 Favored Glycine 0 C--O 1.206 -1.627 0 N-CA-C 110.476 -1.05 . . . . 0.31 110.476 178.135 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.486 ' O ' HG23 ' A' ' 15' ' ' VAL . 96.1 mt -68.31 -50.5 53.07 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 109.414 -0.587 . . . . 0.29 109.414 174.76 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -53.8 -43.39 69.28 Favored 'General case' 0 C--O 1.24 0.578 0 C-N-CA 124.166 0.986 . . . . 0.24 112.599 -177.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -64.73 -29.64 70.63 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-O 121.255 0.55 . . . . 1.46 111.923 -179.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.475 HD11 ' HB2' ' A' ' 53' ' ' ARG . 96.8 mt -80.04 -51.32 16.36 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.778 0 CA-C-N 115.688 -0.687 . . . . 0.41 109.197 179.461 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 11' ' ' LEU . 87.6 t -54.02 -43.97 60.71 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.443 0 CA-C-N 115.195 -0.911 . . . . 0.29 110.748 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.404 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 3.2 t-20 -59.71 -34.2 72.6 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-O 120.735 0.302 . . . . 0.64 111.055 -179.391 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -83.1 -45.93 13.39 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 112.387 0.514 . . . . 2.0 112.387 -176.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.644 HG21 ' HB2' ' A' ' 45' ' ' GLU . 79.5 mt -88.54 -53.82 8.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 CA-C-O 121.338 0.59 . . . . 0.28 111.727 -175.041 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.656 ' HB1' HG11 ' A' ' 38' ' ' VAL . . . -74.83 -38.74 61.94 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-N 115.834 -0.621 . . . . 0.34 109.577 -177.718 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.33 36.28 11.05 Favored Glycine 0 N--CA 1.438 -1.208 0 N-CA-C 110.351 -1.1 . . . . 0.46 110.351 -178.442 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.675 HG21 HD22 ' A' ' 36' ' ' LEU . 46.8 mm -117.1 128.43 26.03 Favored Pre-proline 0 C--N 1.307 -1.249 0 N-CA-C 107.538 -1.282 . . . . 0.42 107.538 178.777 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.425 ' HD2' ' HA ' ' A' ' 21' ' ' ILE . 3.8 Cg_exo -34.36 127.93 0.19 Allowed 'Trans proline' 0 C--N 1.351 0.678 1 C-N-CA 125.609 4.206 . . . . 0.41 115.161 176.504 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 91.5 t -53.14 -39.19 32.67 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 CA-C-N 114.541 -1.209 . . . . 0.69 108.164 174.594 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -79.73 -16.85 54.85 Favored 'General case' 0 C--N 1.29 -2.015 0 CA-C-N 113.583 -1.644 . . . . 2.34 112.726 -173.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.424 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 28.0 t70 -90.09 -14.76 33.09 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 108.303 -0.999 . . . . 0.69 108.303 -179.709 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.537 HG13 HG11 ' A' ' 69' ' ' VAL . 48.6 t -82.81 77.93 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.288 0 CA-C-O 122.851 1.31 . . . . 0.4 109.407 177.681 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.576 ' O ' HG21 ' A' ' 69' ' ' VAL . 15.6 pttt -110.13 170.52 8.02 Favored 'General case' 0 N--CA 1.422 -1.848 0 CA-C-N 113.484 -1.689 . . . . 1.67 108.389 175.549 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.666 ' HA ' HG23 ' A' ' 69' ' ' VAL . 5.3 tt -73.71 4.34 5.23 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 114.945 1.461 . . . . 1.08 114.945 -163.666 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -99.95 -0.43 39.43 Favored 'General case' 0 C--N 1.286 -2.192 0 O-C-N 121.436 -0.79 . . . . 2.11 110.146 175.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.547 ' O ' HG22 ' A' ' 69' ' ' VAL . 74.9 mmtt -89.6 117.86 28.8 Favored 'General case' 0 N--CA 1.419 -1.982 0 N-CA-C 113.727 1.01 . . . . 1.02 113.727 -173.23 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.686 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 30.6 t -88.09 113.07 23.36 Favored 'General case' 0 N--CA 1.401 -2.895 0 N-CA-C 105.054 -2.202 . . . . 1.16 105.054 168.445 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.663 ' HA ' HD12 ' A' ' 36' ' ' LEU . 58.3 m-85 -29.55 -92.22 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 115.396 1.628 . . . . 0.36 115.396 178.029 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.39 45.97 0.91 Allowed 'General case' 0 C--N 1.281 -2.408 0 N-CA-C 114.409 1.263 . . . . 0.47 114.409 178.456 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -147.53 -57.72 0.25 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.119 -0.491 . . . . 0.73 111.029 177.147 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -91.49 -45.03 8.75 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.296 -0.631 . . . . 1.46 109.296 -177.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.675 HD22 HG21 ' A' ' 21' ' ' ILE . 90.4 mt -70.2 -49.53 49.33 Favored 'General case' 0 CA--C 1.509 -0.597 0 N-CA-C 106.88 -1.526 . . . . 0.58 106.88 174.445 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.4 t70 69.05 80.68 0.19 Allowed 'General case' 0 CA--C 1.505 -0.776 0 CA-C-N 113.86 -1.518 . . . . 1.14 111.199 172.311 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.656 HG11 ' HB1' ' A' ' 19' ' ' ALA . 3.9 p -117.61 -102.53 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.414 -2.235 0 C-N-CA 119.525 -0.87 . . . . 1.79 112.967 178.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.643 ' H ' HG13 ' A' ' 38' ' ' VAL . 15.0 t70 -141.32 169.51 17.48 Favored 'General case' 0 C--N 1.293 -1.886 0 N-CA-C 106.701 -1.592 . . . . 0.79 106.701 -175.325 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.454 ' O ' HG23 ' A' ' 44' ' ' VAL . 34.4 p -111.05 -42.23 4.02 Favored 'General case' 0 C--N 1.27 -2.889 0 O-C-N 123.712 0.633 . . . . 1.23 110.55 -170.424 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 90.2 mt -66.59 -30.84 71.22 Favored 'General case' 0 C--N 1.315 -0.916 0 N-CA-C 108.012 -1.107 . . . . 1.02 108.012 174.172 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.594 ' HB2' ' HB3' ' A' ' 39' ' ' ASP . 20.3 m -75.9 -30.38 58.78 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-N 115.139 -0.937 . . . . 1.02 109.315 175.352 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.515 ' O ' HG23 ' A' ' 47' ' ' VAL . 32.2 tpp -64.54 -37.3 87.07 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.734 -0.666 . . . . 0.55 110.118 -179.795 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.468 ' O ' ' HB ' ' A' ' 47' ' ' VAL . 43.6 t -64.56 -34.9 72.72 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 CA-C-N 115.939 -0.573 . . . . 0.56 110.329 179.269 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.644 ' HB2' HG21 ' A' ' 18' ' ' ILE . 25.4 mm-40 -69.21 -35.62 76.41 Favored 'General case' 0 N--CA 1.443 -0.821 0 N-CA-C 109.12 -0.696 . . . . 2.08 109.12 179.028 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 90.4 t -60.44 -46.67 94.89 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.501 0 N-CA-C 108.672 -0.862 . . . . 0.52 108.672 175.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.57 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 85.7 t -52.24 -64.02 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 O-C-N 123.914 0.759 . . . . 0.38 109.424 175.136 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 85.4 t -49.23 -45.8 18.09 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.249 0 C-N-CA 123.688 0.795 . . . . 0.58 112.031 179.124 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.1 -33.32 71.72 Favored 'General case' 0 C--N 1.321 -0.658 0 O-C-N 122.04 -0.412 . . . . 0.42 111.97 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.5 -38.35 89.46 Favored 'General case' 0 CA--C 1.506 -0.734 0 N-CA-C 109.078 -0.712 . . . . 0.38 109.078 176.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.57 ' HG3' ' O ' ' A' ' 47' ' ' VAL . 35.3 mt-10 -58.1 -41.9 84.54 Favored 'General case' 0 C--O 1.213 -0.851 0 CA-C-N 115.163 -0.926 . . . . 1.36 110.15 175.525 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -69.75 -42.37 73.99 Favored 'General case' 0 C--N 1.312 -1.042 0 C-N-CA 123.837 0.855 . . . . 2.09 111.455 177.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.475 ' HB2' HD11 ' A' ' 14' ' ' ILE . 2.3 tpm_? -66.25 -36.63 83.51 Favored 'General case' 0 C--N 1.311 -1.065 0 C-N-CA 124.512 1.125 . . . . 2.75 110.584 -172.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.504 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 43.5 m-85 -112.38 -8.51 13.9 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 113.22 0.822 . . . . 0.73 113.22 -174.62 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 66.39 8.0 5.38 Favored 'General case' 0 N--CA 1.504 2.262 0 C-N-CA 124.252 1.021 . . . . 2.02 111.552 -177.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.49 HG12 ' HB2' ' A' ' 54' ' ' PHE . 5.7 p -68.19 -45.84 82.28 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.39 0 C-N-CA 124.484 1.114 . . . . 1.61 113.584 -173.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.4 ' HD2' ' HB3' ' A' ' 51' ' ' GLU . 4.5 mmmp? 68.16 112.12 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.813 0 CA-C-O 122.119 0.961 . . . . 1.67 110.961 -171.794 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.614 HD11 HG12 ' A' ' 76' ' ' ILE . 40.6 mt -136.01 93.89 14.92 Favored Pre-proline 0 C--N 1.288 -2.078 0 N-CA-C 105.27 -2.122 . . . . 0.49 105.27 -177.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_endo -60.41 136.08 65.5 Favored 'Trans proline' 0 N--CA 1.452 -0.916 0 C-N-CA 122.012 1.808 . . . . 0.62 111.962 -175.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.557 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 25.8 t70 -40.89 -31.64 0.18 Allowed 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 124.803 1.241 . . . . 2.0 113.279 175.664 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -60.52 -56.79 17.16 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.783 0.801 . . . . 2.09 110.194 177.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -86.43 -20.63 27.89 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.14 -0.936 . . . . 1.58 111.54 -171.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.519 HG12 ' O ' ' A' ' 60' ' ' ASP . 3.8 p -63.81 -22.66 31.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.935 -0.575 . . . . 0.69 110.717 179.489 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.557 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 64.5 mttm -62.89 -19.7 64.43 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.845 -0.616 . . . . 2.44 112.12 -177.177 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 -82.38 -17.65 44.78 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.115 -0.493 . . . . 1.94 111.504 -178.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.717 HD13 ' HA ' ' A' ' 72' ' ' ALA . 69.1 mt -65.14 -66.38 0.55 Allowed 'General case' 0 N--CA 1.467 0.38 0 O-C-N 123.365 0.416 . . . . 1.67 111.758 -175.031 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt 73.3 -48.59 0.68 Allowed 'General case' 0 N--CA 1.491 1.59 0 C-N-CA 124.817 1.247 . . . . 3.18 112.889 178.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.686 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 35.0 p -107.46 162.2 14.15 Favored 'General case' 0 C--N 1.294 -1.806 0 CA-C-O 121.31 0.576 . . . . 0.51 112.155 -177.122 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.666 HG23 ' HA ' ' A' ' 28' ' ' LEU . 6.5 m -64.83 -37.6 80.6 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.284 0 CA-C-N 114.597 -1.183 . . . . 0.35 109.597 172.627 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.443 ' CA ' ' HG ' ' A' ' 28' ' ' LEU . . . -64.32 -46.62 90.18 Favored Glycine 0 N--CA 1.435 -1.371 0 CA-C-N 115.411 -0.813 . . . . 0.3 112.464 178.387 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.468 ' OD1' ' HA ' ' A' ' 66' ' ' LEU . 10.5 t70 -68.54 -35.59 77.65 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.646 -0.501 . . . . 1.79 109.646 -179.516 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.717 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -57.74 -59.33 5.37 Favored 'General case' 0 C--O 1.218 -0.561 0 N-CA-C 109.061 -0.718 . . . . 0.29 109.061 174.728 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.461 ' HA ' HG21 ' A' ' 7' ' ' ILE . 63.3 m -48.25 -46.58 35.77 Favored 'General case' 0 C--O 1.199 -1.584 0 C-N-CA 123.962 0.905 . . . . 0.31 112.249 172.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -61.15 -29.49 69.82 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-O 121.21 0.529 . . . . 2.93 111.849 178.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -77.22 -51.04 11.61 Favored 'General case' 0 C--N 1.31 -1.134 0 N-CA-C 107.115 -1.439 . . . . 0.53 107.115 177.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.614 HG12 HD11 ' A' ' 58' ' ' ILE . 72.4 mt -60.31 -51.27 74.96 Favored 'Isoleucine or valine' 0 C--O 1.187 -2.203 0 C-N-CA 124.54 1.136 . . . . 0.27 111.236 -178.455 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.599 ' HA ' HE21 ' A' ' 80' ' ' GLN . 31.0 tp -54.9 -35.74 64.44 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.015 0.526 . . . . 1.15 111.599 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -88.54 -28.25 20.89 Favored 'General case' 0 C--N 1.298 -1.669 0 CA-C-O 122.007 0.908 . . . . 0.67 111.385 -177.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 33.6 m-70 -99.18 5.75 46.66 Favored 'General case' 0 C--N 1.304 -1.403 0 CA-C-N 115.018 -0.992 . . . . 1.53 112.916 -177.435 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.599 HE21 ' HA ' ' A' ' 77' ' ' LEU . 78.5 mm-40 -39.06 139.41 0.48 Allowed 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 124.916 1.286 . . . . 0.89 113.311 178.257 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.431 -1.419 0 CA-C-N 115.29 -0.868 . . . . 2.36 109.182 178.139 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.579 ' O ' HG13 ' A' ' 7' ' ' ILE . 35.8 p . . . . . 0 N--CA 1.43 -1.426 0 N-CA-C 109.466 -0.568 . . . . 1.05 109.466 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.508 ' HA ' HD12 ' A' ' 7' ' ' ILE . 23.7 mt-30 -60.62 -26.19 66.83 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 112.848 0.684 . . . . 1.25 112.848 -174.593 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -67.72 -38.9 84.23 Favored 'General case' 0 C--N 1.307 -1.263 0 N-CA-C 109.407 -0.59 . . . . 2.3 109.407 176.165 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -71.52 -34.04 69.72 Favored 'General case' 0 N--CA 1.435 -1.209 0 N-CA-C 108.383 -0.969 . . . . 1.92 108.383 -178.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.637 HG21 ' HA ' ' A' ' 73' ' ' THR . 36.9 mt -63.46 -55.97 19.82 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.992 0 CA-C-N 114.899 -1.046 . . . . 0.29 108.926 177.072 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 70.5 t -55.53 -38.15 48.39 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.9 0 CA-C-N 116.296 -0.411 . . . . 0.32 110.93 176.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.34 -42.96 98.97 Favored 'General case' 0 C--O 1.242 0.692 0 CA-C-O 121.064 0.459 . . . . 0.32 110.037 177.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.4 -37.11 94.31 Favored Glycine 0 C--O 1.217 -0.909 0 CA-C-N 115.463 -0.79 . . . . 0.31 111.347 176.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.482 ' O ' HG23 ' A' ' 15' ' ' VAL . 70.5 mt -64.48 -49.82 69.9 Favored 'General case' 0 N--CA 1.434 -1.256 0 N-CA-C 109.985 -0.376 . . . . 0.29 109.985 175.676 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.404 ' HB1' HG13 ' A' ' 23' ' ' VAL . . . -54.13 -43.29 70.38 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 123.677 0.791 . . . . 0.24 111.952 -179.275 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -64.52 -43.21 94.76 Favored 'General case' 0 C--O 1.239 0.509 0 N-CA-C 112.779 0.659 . . . . 1.46 112.779 179.051 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.541 HD11 ' HG2' ' A' ' 53' ' ' ARG . 96.4 mt -65.31 -46.93 89.05 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.194 0 CA-C-O 121.399 0.619 . . . . 0.41 110.392 179.066 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.648 HG12 ' HB ' ' A' ' 21' ' ' ILE . 98.9 t -58.74 -36.73 62.0 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 CA-C-N 115.436 -0.802 . . . . 0.29 110.919 -179.75 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -66.08 -34.27 77.7 Favored 'General case' 0 C--N 1.305 -1.334 0 C-N-CA 120.258 -0.577 . . . . 0.64 111.275 179.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -77.37 -50.32 13.02 Favored 'General case' 0 C--N 1.307 -1.241 0 CA-C-N 116.142 -0.481 . . . . 2.0 111.286 -179.098 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.536 HG21 ' HB2' ' A' ' 45' ' ' GLU . 80.6 mt -86.39 -53.5 10.19 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 N-CA-C 112.556 0.576 . . . . 0.28 112.556 -174.365 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.526 ' HB2' HG13 ' A' ' 38' ' ' VAL . . . -76.87 -32.27 57.38 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.239 0.542 . . . . 0.34 110.136 -177.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.22 31.06 29.23 Favored Glycine 0 CA--C 1.494 -1.221 0 N-CA-C 110.485 -1.046 . . . . 0.46 110.485 -178.35 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.648 ' HB ' HG12 ' A' ' 15' ' ' VAL . 46.9 mm -108.13 128.91 24.85 Favored Pre-proline 0 C--N 1.305 -1.359 0 CA-C-N 115.556 -0.322 . . . . 0.42 110.5 -176.079 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.441 ' HD2' ' HA ' ' A' ' 21' ' ' ILE . 16.3 Cg_exo -31.97 127.24 0.09 OUTLIER 'Trans proline' 0 N--CA 1.451 -1.029 1 C-N-CA 125.495 4.13 . . . . 0.41 114.035 172.201 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.404 HG13 ' HB1' ' A' ' 12' ' ' ALA . 84.1 t -57.74 -26.06 26.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 114.616 -1.175 . . . . 0.69 109.603 178.219 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -95.59 -8.92 33.63 Favored 'General case' 0 N--CA 1.426 -1.669 0 CA-C-N 115.454 -0.794 . . . . 2.34 112.421 -176.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.45 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 33.6 t70 -85.02 -26.58 26.96 Favored 'General case' 0 CA--C 1.504 -0.797 0 N-CA-C 106.981 -1.488 . . . . 0.69 106.981 177.045 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.535 HG13 HG11 ' A' ' 69' ' ' VAL . 73.5 t -73.4 84.79 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.716 0 CA-C-N 113.972 -1.467 . . . . 0.4 109.508 175.078 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.576 ' O ' HG21 ' A' ' 69' ' ' VAL . 87.4 mttt -95.01 -146.1 0.27 Allowed 'General case' 0 C--N 1.299 -1.629 0 CA-C-N 113.882 -1.508 . . . . 1.67 107.273 177.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.448 ' O ' HD23 ' A' ' 28' ' ' LEU . 6.0 tt -113.38 -18.46 12.02 Favored 'General case' 0 C--N 1.309 -1.183 0 CA-C-N 119.512 1.051 . . . . 1.08 111.772 -176.548 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -86.98 -7.08 58.5 Favored 'General case' 0 C--N 1.303 -1.455 0 CA-C-O 122.893 1.33 . . . . 2.11 109.474 178.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.652 ' O ' HG22 ' A' ' 69' ' ' VAL . 32.9 mmtm -76.45 100.09 5.11 Favored 'General case' 0 C--N 1.295 -1.799 0 CA-C-N 113.424 -1.716 . . . . 1.02 114.435 -172.261 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.668 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 8.0 m -73.6 110.42 7.87 Favored 'General case' 0 N--CA 1.399 -2.983 0 N-CA-C 106.808 -1.552 . . . . 1.16 106.808 170.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.847 ' HA ' HD12 ' A' ' 36' ' ' LEU . 95.1 m-85 -31.38 -80.9 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.674 1.19 . . . . 0.36 113.9 177.058 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.434 HG23 ' HB ' ' A' ' 38' ' ' VAL . 0.2 OUTLIER -79.76 48.34 0.93 Allowed 'General case' 0 C--N 1.297 -1.698 0 N-CA-C 114.353 1.242 . . . . 0.47 114.353 -179.824 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.668 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 23.9 t70 -158.57 -61.72 0.08 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.803 -0.635 . . . . 0.73 110.981 178.714 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.462 ' HB3' ' HD3' ' A' ' 30' ' ' LYS . 1.8 t70 -94.74 -34.34 12.57 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 116.121 -0.491 . . . . 1.46 110.052 -175.235 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.847 HD12 ' HA ' ' A' ' 32' ' ' PHE . 91.6 mt -79.91 -42.59 23.79 Favored 'General case' 0 C--O 1.243 0.753 0 CA-C-N 116.132 -0.486 . . . . 0.58 110.398 178.086 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.1 t70 74.45 85.28 0.1 Allowed 'General case' 0 CA--C 1.505 -0.781 0 O-C-N 124.623 1.202 . . . . 1.14 110.303 -175.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.526 HG13 ' HB2' ' A' ' 19' ' ' ALA . 86.7 t -94.11 -93.6 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.299 -1.594 0 CA-C-N 114.171 -1.377 . . . . 1.79 108.53 -179.577 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.3 t70 170.93 176.04 0.06 Allowed 'General case' 0 CA--C 1.494 -1.197 0 N-CA-C 103.534 -2.765 . . . . 0.79 103.534 -178.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.7 t -92.46 -37.12 12.71 Favored 'General case' 0 C--N 1.266 -3.061 0 N-CA-C 109.155 -0.683 . . . . 1.23 109.155 -175.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 91.2 mt -82.59 -34.79 27.57 Favored 'General case' 0 C--N 1.306 -1.319 0 CA-C-N 115.747 -0.661 . . . . 1.02 109.543 -176.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.454 ' HB3' HG22 ' A' ' 18' ' ' ILE . 15.2 m -70.65 -23.48 62.52 Favored 'General case' 0 N--CA 1.436 -1.161 0 CA-C-N 114.978 -1.01 . . . . 1.02 109.608 -179.278 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.506 ' HB2' ' HE2' ' A' ' 43' ' ' MET . 24.0 tpp -61.31 -48.4 81.51 Favored 'General case' 0 N--CA 1.438 -1.065 0 CA-C-N 115.593 -0.73 . . . . 0.55 110.949 179.393 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.402 ' O ' HG23 ' A' ' 48' ' ' VAL . 57.7 t -67.86 -24.71 31.0 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.519 0 CA-C-N 115.449 -0.796 . . . . 0.56 110.762 -177.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.536 ' HB2' HG21 ' A' ' 18' ' ' ILE . 37.0 mt-10 -73.26 -36.63 66.4 Favored 'General case' 0 N--CA 1.431 -1.422 0 N-CA-C 108.575 -0.898 . . . . 2.08 108.575 178.763 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 42' ' ' SER . 85.4 t -61.32 -47.34 93.94 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.588 0 N-CA-C 108.5 -0.926 . . . . 0.52 108.5 174.512 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.584 HG13 HG21 ' A' ' 63' ' ' VAL . 97.9 t -52.85 -64.8 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 O-C-N 124.01 0.819 . . . . 0.38 109.886 177.767 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 44' ' ' VAL . 85.2 t -45.83 -52.74 2.6 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 C-N-CA 123.489 0.716 . . . . 0.58 112.286 175.389 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.02 -33.46 76.1 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 112.347 0.499 . . . . 0.42 112.347 -177.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.21 -36.7 84.93 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.903 0.383 . . . . 0.38 110.415 179.219 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.652 ' HG2' ' H ' ' A' ' 58' ' ' ILE . 32.6 mt-10 -61.94 -31.56 71.9 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-O 121.901 0.858 . . . . 1.36 110.272 179.715 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -82.59 -47.47 12.07 Favored 'General case' 0 C--N 1.302 -1.488 0 CA-C-N 114.736 -1.12 . . . . 2.09 109.913 -179.359 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.541 ' HG2' HD11 ' A' ' 14' ' ' ILE . 52.4 tpt85 -71.56 -34.3 69.86 Favored 'General case' 0 C--N 1.317 -0.816 0 C-N-CA 123.796 0.839 . . . . 2.75 112.328 -173.599 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.473 ' CD2' HG21 ' A' ' 76' ' ' ILE . 88.9 m-85 -100.31 -2.06 34.59 Favored 'General case' 0 C--N 1.298 -1.656 0 CA-C-N 115.975 -0.557 . . . . 0.73 111.428 -177.385 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 36.4 t70 69.51 -5.61 1.13 Allowed 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 123.971 0.908 . . . . 2.02 112.803 178.177 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.593 ' O ' ' HA ' ' A' ' 51' ' ' GLU . 8.1 p -106.61 126.31 62.43 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.88 0 O-C-N 121.885 -0.509 . . . . 1.61 110.699 -177.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.0 mmmp? -70.18 123.39 21.5 Favored 'General case' 0 C--N 1.307 -1.246 0 CA-C-N 115.61 -0.723 . . . . 1.67 110.086 178.067 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.694 HG22 HG23 ' A' ' 63' ' ' VAL . 47.3 mt -132.42 103.44 13.71 Favored Pre-proline 0 C--N 1.304 -1.382 0 N-CA-C 107.131 -1.433 . . . . 0.49 107.131 -178.414 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -81.73 156.12 18.29 Favored 'Trans proline' 0 N--CA 1.433 -2.066 0 C-N-CA 121.219 1.279 . . . . 0.62 112.133 -177.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.639 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 3.5 m-20 -35.59 -48.26 0.51 Allowed 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 125.075 1.35 . . . . 2.0 111.587 174.043 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -49.42 -53.84 20.6 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.927 0.891 . . . . 2.09 113.146 -178.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.433 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 21.1 m-20 -75.3 -33.48 61.2 Favored 'General case' 0 CA--C 1.49 -1.356 0 CA-C-O 120.98 0.419 . . . . 1.58 110.432 -178.049 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.694 HG23 HG22 ' A' ' 58' ' ' ILE . 2.2 t -55.47 -32.3 29.65 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.214 0 CA-C-N 115.204 -0.907 . . . . 0.69 111.272 176.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.639 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 95.5 mttt -68.38 -19.99 64.66 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.497 -0.774 . . . . 2.44 112.291 179.6 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 45.1 m-20 -94.45 -6.08 44.79 Favored 'General case' 0 C--N 1.309 -1.187 0 N-CA-C 109.01 -0.737 . . . . 1.94 109.01 -178.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.878 HD13 ' HA ' ' A' ' 72' ' ' ALA . 58.7 mt -92.19 -66.09 0.95 Allowed 'General case' 0 N--CA 1.43 -1.446 0 CA-C-N 115.565 -0.743 . . . . 1.67 109.721 -177.355 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . 0.437 0.0 OUTLIER 54.76 -6.34 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 117.874 2.546 . . . . 3.18 117.874 -179.735 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.616 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 61.5 p -128.82 170.69 13.06 Favored 'General case' 0 CA--C 1.493 -1.243 0 O-C-N 121.405 -0.81 . . . . 0.51 109.776 173.351 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.652 HG22 ' O ' ' A' ' 30' ' ' LYS . 2.2 m -65.45 -47.55 86.33 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.738 0 CA-C-N 114.498 -1.228 . . . . 0.35 110.349 172.115 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -62.19 -42.97 99.73 Favored Glycine 0 CA--C 1.498 -0.986 0 CA-C-N 116.198 -0.455 . . . . 0.3 112.368 -179.109 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.43 ' HB3' ' HA ' ' A' ' 66' ' ' LEU . 5.7 m-20 -68.32 -39.11 82.08 Favored 'General case' 0 CA--C 1.5 -0.952 0 CA-C-O 119.673 -0.204 . . . . 1.79 111.208 178.42 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.878 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -56.93 -55.13 38.54 Favored 'General case' 0 CA--C 1.51 -0.566 0 N-CA-C 108.354 -0.98 . . . . 0.29 108.354 175.726 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.637 ' HA ' HG21 ' A' ' 7' ' ' ILE . 91.4 m -48.32 -48.55 36.01 Favored 'General case' 0 N--CA 1.434 -1.23 0 C-N-CA 124.766 1.226 . . . . 0.31 112.536 173.266 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -61.45 -30.3 70.5 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 120.758 0.313 . . . . 2.93 111.64 -179.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.475 ' HB2' HD21 ' A' ' 66' ' ' LEU . 57.8 t80 -76.7 -44.71 32.42 Favored 'General case' 0 CA--C 1.492 -1.26 0 N-CA-C 107.52 -1.289 . . . . 0.53 107.52 177.085 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.575 HG12 HD11 ' A' ' 58' ' ' ILE . 84.7 mt -61.72 -49.92 82.35 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.717 0 CA-C-N 115.299 -0.864 . . . . 0.27 110.46 -178.727 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -55.93 -41.06 74.02 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-O 121.133 0.492 . . . . 1.15 110.998 179.106 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -81.09 -39.26 25.95 Favored 'General case' 0 C--N 1.299 -1.611 0 CA-C-N 115.586 -0.734 . . . . 0.67 112.715 -175.46 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -101.36 -3.45 28.77 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 115.011 1.486 . . . . 1.53 115.011 -172.389 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.413 ' NE2' HG22 ' A' ' 76' ' ' ILE . 11.2 pt20 -80.9 -177.27 6.31 Favored 'General case' 0 CA--C 1.51 -0.578 0 C-N-CA 118.873 -1.131 . . . . 0.89 111.958 -174.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.406 -2.667 0 N-CA-C 107.681 -1.229 . . . . 2.36 107.681 177.889 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.501 ' O ' HG13 ' A' ' 7' ' ' ILE . 0.3 OUTLIER . . . . . 0 N--CA 1.413 -2.314 0 N-CA-C 106.667 -1.605 . . . . 1.05 106.667 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -49.75 -37.65 30.56 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.212 0.605 . . . . 1.25 111.811 -175.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -63.14 -36.49 83.78 Favored 'General case' 0 C--N 1.305 -1.363 0 C-N-CA 124.091 0.956 . . . . 2.3 109.871 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -73.12 -32.4 64.92 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.261 -0.644 . . . . 1.92 109.261 178.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.554 ' HB ' HG23 ' A' ' 73' ' ' THR . 20.5 mt -68.23 -52.72 35.0 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.251 0 N-CA-C 107.675 -1.232 . . . . 0.29 107.675 178.447 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 74.1 t -55.93 -44.5 78.24 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.178 0 CA-C-N 115.679 -0.691 . . . . 0.32 110.382 175.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.84 -34.85 78.85 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.145 0.498 . . . . 0.32 110.81 177.368 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.32 -44.38 90.77 Favored Glycine 0 C--O 1.211 -1.292 0 N-CA-C 110.151 -1.179 . . . . 0.31 110.151 177.048 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 95.7 mt -59.96 -45.26 93.25 Favored 'General case' 0 C--N 1.312 -1.058 0 N-CA-C 109.235 -0.654 . . . . 0.29 109.235 175.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.473 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -55.51 -45.39 77.09 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-N 115.356 -0.838 . . . . 0.24 111.922 178.775 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -69.61 -32.12 70.66 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.728 0.64 . . . . 1.46 112.728 -179.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.4 mt -67.57 -54.04 26.69 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.232 0 N-CA-C 108.388 -0.967 . . . . 0.41 108.388 175.253 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.644 HG12 ' HB ' ' A' ' 21' ' ' ILE . 71.5 t -58.72 -41.57 82.82 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.237 0 CA-C-N 114.909 -1.041 . . . . 0.29 111.225 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -63.96 -33.17 75.12 Favored 'General case' 0 C--N 1.301 -1.53 0 CA-C-O 120.957 0.408 . . . . 0.64 111.649 179.374 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -77.89 -50.73 11.66 Favored 'General case' 0 C--N 1.304 -1.382 0 CA-C-N 115.606 -0.725 . . . . 2.0 110.852 -179.16 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.709 HG21 ' HB2' ' A' ' 45' ' ' GLU . 61.4 mt -88.91 -53.76 8.94 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.053 0 N-CA-C 112.513 0.56 . . . . 0.28 112.513 -173.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.77 ' HB2' HG13 ' A' ' 38' ' ' VAL . . . -74.05 -37.51 64.26 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 121.541 0.686 . . . . 0.34 109.737 -178.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.39 25.37 28.52 Favored Glycine 0 N--CA 1.447 -0.583 0 CA-C-N 114.966 -1.015 . . . . 0.46 110.828 -178.121 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.644 ' HB ' HG12 ' A' ' 15' ' ' VAL . 49.8 mm -99.93 130.93 25.29 Favored Pre-proline 0 C--N 1.311 -1.076 0 O-C-N 122.785 -0.244 . . . . 0.42 110.73 -176.517 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.505 ' HD2' ' HA ' ' A' ' 21' ' ' ILE . 7.5 Cg_exo -32.96 125.95 0.11 Allowed 'Trans proline' 0 C--N 1.358 1.052 1 C-N-CA 125.817 4.345 . . . . 0.41 114.627 173.692 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.473 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 85.9 t -57.82 -29.58 35.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 114.182 -1.372 . . . . 0.69 109.739 178.621 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -104.15 11.14 35.44 Favored 'General case' 0 N--CA 1.42 -1.93 0 N-CA-C 112.916 0.71 . . . . 2.34 112.916 -176.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.417 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 16.0 t70 -97.44 -26.38 14.87 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 105.441 -2.059 . . . . 0.69 105.441 170.042 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.563 HG13 HG11 ' A' ' 69' ' ' VAL . 58.4 t -74.03 87.1 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.962 0 CA-C-N 113.948 -1.478 . . . . 0.4 109.333 175.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.488 ' O ' HG21 ' A' ' 69' ' ' VAL . 94.4 mttt -98.25 -142.29 0.31 Allowed 'General case' 0 C--N 1.293 -1.871 0 CA-C-N 113.483 -1.689 . . . . 1.67 108.091 178.241 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.1 tt -116.16 -20.63 9.76 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-N 119.407 1.003 . . . . 1.08 111.504 -176.568 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -84.39 -11.99 55.27 Favored 'General case' 0 C--N 1.302 -1.471 0 CA-C-O 122.344 1.068 . . . . 2.11 109.531 -179.228 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.714 ' O ' HG22 ' A' ' 69' ' ' VAL . 55.8 mmtt -73.71 120.04 18.76 Favored 'General case' 0 C--N 1.293 -1.885 0 CA-C-N 114.23 -1.35 . . . . 1.02 114.609 -170.349 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.413 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 23.7 m -79.96 109.48 14.44 Favored 'General case' 0 N--CA 1.399 -3.015 0 N-CA-C 107.493 -1.299 . . . . 1.16 107.493 170.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.853 ' HA ' HD12 ' A' ' 36' ' ' LEU . 45.5 m-85 -31.49 -89.27 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.701 0 C-N-CA 124.627 1.171 . . . . 0.36 114.085 175.217 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.498 HG23 ' HE2' ' A' ' 43' ' ' MET . 0.0 OUTLIER -75.91 58.73 1.18 Allowed 'General case' 0 C--N 1.29 -1.995 0 N-CA-C 113.171 0.804 . . . . 0.47 113.171 177.845 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.413 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 26.7 t70 -167.76 -64.61 0.03 OUTLIER 'General case' 0 C--O 1.217 -0.641 0 CA-C-N 116.037 -0.529 . . . . 0.73 111.447 177.711 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -88.77 -45.24 9.94 Favored 'General case' 0 CA--C 1.501 -0.911 0 N-CA-C 109.022 -0.733 . . . . 1.46 109.022 -176.133 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.853 HD12 ' HA ' ' A' ' 32' ' ' PHE . 94.1 mt -69.53 -47.79 62.61 Favored 'General case' 0 CA--C 1.504 -0.796 0 N-CA-C 107.483 -1.303 . . . . 0.58 107.483 175.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 38.8 t70 72.41 91.11 0.09 Allowed 'General case' 0 CA--C 1.506 -0.746 0 CA-C-N 113.666 -1.606 . . . . 1.14 110.655 178.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.77 HG13 ' HB2' ' A' ' 19' ' ' ALA . 95.9 t -93.87 -90.63 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.291 -1.964 0 CA-C-N 113.126 -1.852 . . . . 1.79 108.552 -174.222 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.532 ' HB3' ' CB ' ' A' ' 42' ' ' SER . 9.5 t70 171.07 172.08 0.08 Allowed 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 104.394 -2.447 . . . . 0.79 104.394 -179.74 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -82.49 -43.12 17.59 Favored 'General case' 0 C--N 1.258 -3.375 0 N-CA-C 108.258 -1.016 . . . . 1.23 108.258 -173.713 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 93.4 mt -86.8 -35.3 19.2 Favored 'General case' 0 C--N 1.301 -1.512 0 CA-C-N 114.029 -1.442 . . . . 1.02 110.368 -175.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.573 ' OG ' HG22 ' A' ' 18' ' ' ILE . 23.0 t -61.86 -31.23 71.48 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.662 -1.154 . . . . 1.02 108.66 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.5 ' O ' HG23 ' A' ' 47' ' ' VAL . 30.2 tpp -60.65 -39.74 89.46 Favored 'General case' 0 N--CA 1.436 -1.144 0 CA-C-N 114.768 -1.106 . . . . 0.55 111.749 178.821 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 38.7 t -70.96 -29.44 37.22 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-O 121.263 0.554 . . . . 0.56 109.754 -175.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.709 ' HB2' HG21 ' A' ' 18' ' ' ILE . 5.7 mm-40 -72.22 -40.74 67.55 Favored 'General case' 0 N--CA 1.427 -1.592 0 N-CA-C 107.704 -1.221 . . . . 2.08 107.704 178.1 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 42' ' ' SER . 92.4 t -56.37 -50.11 73.62 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-N 115.594 -0.73 . . . . 0.52 109.413 175.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 43' ' ' MET . 94.5 t -50.28 -63.53 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 O-C-N 123.911 0.757 . . . . 0.38 109.756 176.337 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 97.1 t -51.97 -47.11 42.24 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.403 0 CA-C-N 115.899 -0.591 . . . . 0.58 112.54 178.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.36 -25.83 66.17 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.44 0.533 . . . . 0.42 112.44 -178.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.83 -35.14 79.38 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.093 0.473 . . . . 0.38 110.014 178.207 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.666 ' HG2' ' H ' ' A' ' 58' ' ' ILE . 31.3 mt-10 -65.77 -24.66 66.99 Favored 'General case' 0 C--O 1.213 -0.844 0 C-N-CA 123.664 0.786 . . . . 1.36 109.515 178.16 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -83.54 -48.67 10.02 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-O 121.321 0.582 . . . . 2.09 109.501 175.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.3 tpm_? -68.09 -34.12 75.81 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 123.763 0.825 . . . . 2.75 111.519 -172.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.481 ' CD2' HD13 ' A' ' 76' ' ' ILE . 38.8 m-85 -114.07 -3.52 13.28 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-N 115.912 -0.585 . . . . 0.73 112.006 -176.126 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.0 t70 72.3 -23.24 0.2 Allowed 'General case' 0 N--CA 1.506 2.338 0 C-N-CA 125.698 1.599 . . . . 2.02 112.269 -179.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.499 ' O ' ' HA ' ' A' ' 51' ' ' GLU . 4.8 p -75.66 122.23 29.12 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.114 0 CA-C-O 121.241 0.543 . . . . 1.61 110.32 -175.476 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.5 tptm -72.34 113.24 9.16 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 107.772 -1.196 . . . . 1.67 107.772 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.666 ' H ' ' HG2' ' A' ' 51' ' ' GLU . 37.9 mt -116.86 99.48 52.92 Favored Pre-proline 0 C--N 1.298 -1.671 0 N-CA-C 106.359 -1.719 . . . . 0.49 106.359 -178.2 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -69.5 133.86 27.09 Favored 'Trans proline' 0 N--CA 1.446 -1.298 0 C-N-CA 122.087 1.858 . . . . 0.62 113.555 -173.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.402 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 3.0 t70 -37.53 -33.25 0.07 Allowed 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 125.771 1.628 . . . . 2.0 113.956 172.529 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.497 ' HA ' ' HE2' ' A' ' 64' ' ' LYS . 27.3 t70 -75.12 -46.3 35.42 Favored 'General case' 0 C--N 1.296 -1.741 0 N-CA-C 112.109 0.411 . . . . 2.09 112.109 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -86.64 -21.79 26.53 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-O 121.716 0.77 . . . . 1.58 110.916 -174.19 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 6.0 p -65.01 -21.49 29.58 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.871 0 CA-C-N 115.392 -0.822 . . . . 0.69 110.679 178.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.497 ' HE2' ' HA ' ' A' ' 61' ' ' ASP . 57.6 mttm -63.14 -9.97 13.01 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 115.503 -0.772 . . . . 2.44 112.916 -176.313 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -94.77 -4.09 47.92 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 120.571 0.224 . . . . 1.94 111.474 -179.065 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.843 HD13 ' HA ' ' A' ' 72' ' ' ALA . 72.8 mt -84.54 -69.96 0.61 Allowed 'General case' 0 C--O 1.217 -0.64 0 N-CA-C 112.07 0.396 . . . . 1.67 112.07 -175.554 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . 0.412 0.0 OUTLIER 62.41 -29.65 0.08 Allowed 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 117.0 2.222 . . . . 3.18 117.0 177.279 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 65.9 p -110.2 166.17 11.17 Favored 'General case' 0 CA--C 1.485 -1.541 0 O-C-N 121.514 -0.741 . . . . 0.51 109.823 174.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.714 HG22 ' O ' ' A' ' 30' ' ' LYS . 4.0 m -68.2 -39.59 81.43 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.015 0 CA-C-N 114.708 -1.133 . . . . 0.35 109.799 173.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -62.41 -47.97 85.63 Favored Glycine 0 N--CA 1.438 -1.174 0 CA-C-N 116.031 -0.531 . . . . 0.3 112.101 177.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -65.7 -39.63 91.43 Favored 'General case' 0 CA--C 1.5 -0.947 0 CA-C-N 116.714 0.257 . . . . 1.79 111.359 179.037 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.843 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -56.72 -58.65 7.18 Favored 'General case' 0 CA--C 1.516 -0.336 0 N-CA-C 109.085 -0.709 . . . . 0.29 109.085 176.067 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.554 HG23 ' HB ' ' A' ' 7' ' ' ILE . 87.3 m -48.23 -51.5 25.24 Favored 'General case' 0 C--O 1.189 -2.103 0 C-N-CA 123.953 0.901 . . . . 0.31 111.881 173.21 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.427 ' HE2' ' HB3' ' A' ' 74' ' ' LYS . 3.9 tmmm? -54.24 -35.82 62.88 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 123.862 0.865 . . . . 2.93 111.788 179.302 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.423 ' HB2' HD21 ' A' ' 66' ' ' LEU . 37.3 t80 -71.53 -54.02 11.9 Favored 'General case' 0 C--O 1.199 -1.579 0 N-CA-C 107.789 -1.189 . . . . 0.53 107.789 178.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.503 HG12 HD11 ' A' ' 58' ' ' ILE . 71.0 mt -57.96 -48.94 82.84 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.282 0 C-N-CA 124.566 1.146 . . . . 0.27 110.823 -179.145 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 55.0 tp -51.0 -40.11 57.31 Favored 'General case' 0 C--N 1.307 -1.277 0 C-N-CA 124.388 1.075 . . . . 1.15 111.386 178.232 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -88.23 -41.78 12.71 Favored 'General case' 0 C--N 1.303 -1.438 0 CA-C-O 121.697 0.761 . . . . 0.67 111.508 -177.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 62.7 m-70 -84.36 5.68 26.06 Favored 'General case' 0 C--N 1.296 -1.745 0 CA-C-N 114.526 -1.215 . . . . 1.53 113.75 -173.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 34.2 mm-40 -37.32 126.5 1.03 Allowed 'General case' 0 N--CA 1.491 1.596 0 C-N-CA 123.929 0.892 . . . . 0.89 111.084 174.317 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.299 -1.607 0 N-CA-C 108.048 -1.093 . . . . 2.36 108.048 179.482 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.606 ' O ' HG13 ' A' ' 7' ' ' ILE . 0.3 OUTLIER . . . . . 0 N--CA 1.432 -1.362 0 N-CA-C 107.527 -1.286 . . . . 1.05 107.527 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.49 ' O ' HG23 ' A' ' 8' ' ' VAL . 20.7 mt-30 -54.7 -40.19 68.94 Favored 'General case' 0 C--O 1.214 -0.78 0 N-CA-C 112.962 0.727 . . . . 1.25 112.962 -169.807 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -82.15 -23.43 35.6 Favored 'General case' 0 C--N 1.287 -2.115 0 CA-C-O 121.157 0.504 . . . . 2.3 110.8 -175.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.518 ' HB3' ' O ' ' A' ' 3' ' ' THR . 36.0 tt0 -67.2 -35.72 80.21 Favored 'General case' 0 C--N 1.31 -1.137 0 N-CA-C 107.658 -1.238 . . . . 1.92 107.658 172.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.606 HG13 ' O ' ' A' ' 3' ' ' THR . 26.2 mt -68.13 -52.81 34.47 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.077 0 N-CA-C 107.717 -1.216 . . . . 0.29 107.717 174.429 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.772 HG21 HD11 ' A' ' 28' ' ' LEU . 93.1 t -52.51 -41.57 36.83 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.851 0 C-N-CA 123.252 0.621 . . . . 0.32 111.521 177.734 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.36 -36.55 84.08 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.955 0.407 . . . . 0.32 110.224 177.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.84 -41.93 87.4 Favored Glycine 0 C--O 1.206 -1.595 0 N-CA-C 110.404 -1.078 . . . . 0.31 110.404 176.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.523 ' O ' HG23 ' A' ' 15' ' ' VAL . 85.1 mt -62.81 -49.07 76.41 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-O 120.59 0.233 . . . . 0.29 110.433 176.625 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.96 -44.75 67.36 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 124.189 0.996 . . . . 0.24 111.874 -178.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.495 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 16.8 pt-20 -66.57 -38.67 87.56 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 120.393 -0.523 . . . . 1.46 112.16 -179.449 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 90.3 mt -63.91 -47.32 91.14 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.959 0 C-N-CA 123.411 0.684 . . . . 0.41 109.415 176.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 11' ' ' LEU . 83.9 t -56.88 -36.33 49.62 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.793 0 CA-C-N 115.354 -0.839 . . . . 0.29 110.89 179.401 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -71.54 -29.91 65.29 Favored 'General case' 0 C--N 1.299 -1.617 0 CA-C-O 120.929 0.395 . . . . 0.64 111.37 -178.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.495 ' HG2' ' O ' ' A' ' 13' ' ' GLU . 68.8 mm-40 -76.93 -46.73 23.2 Favored 'General case' 0 N--CA 1.434 -1.257 0 CA-C-N 116.162 -0.472 . . . . 2.0 111.218 179.694 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.566 HG21 ' HB2' ' A' ' 45' ' ' GLU . 72.9 mt -90.84 -53.69 8.57 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.237 0 CA-C-N 115.631 -0.713 . . . . 0.28 112.334 -173.134 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.572 ' HB2' HG13 ' A' ' 38' ' ' VAL . . . -79.27 -39.88 31.91 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.261 0.553 . . . . 0.34 109.717 -178.009 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 92.97 20.43 33.5 Favored Glycine 0 N--CA 1.445 -0.701 0 CA-C-N 115.337 -0.847 . . . . 0.46 111.056 -178.247 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.523 ' HB ' HG12 ' A' ' 15' ' ' VAL . 49.0 mm -96.84 136.13 21.8 Favored Pre-proline 0 C--N 1.31 -1.114 0 N-CA-C 110.134 -0.321 . . . . 0.42 110.134 -176.308 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.489 ' HD2' ' HA ' ' A' ' 21' ' ' ILE . 2.8 Cg_exo -35.68 126.12 0.31 Allowed 'Trans proline' 0 C--N 1.357 1.009 0 C-N-CA 125.25 3.967 . . . . 0.41 114.214 174.022 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 92.4 t -63.02 -19.76 24.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 114.635 -1.166 . . . . 0.69 109.191 178.252 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -96.74 -8.1 32.17 Favored 'General case' 0 N--CA 1.418 -2.027 0 CA-C-N 114.581 -1.191 . . . . 2.34 111.934 -176.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.442 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 9.1 t70 -92.16 -18.12 23.94 Favored 'General case' 0 C--N 1.314 -0.949 0 N-CA-C 108.002 -1.11 . . . . 0.69 108.002 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.582 HG13 HG11 ' A' ' 69' ' ' VAL . 56.1 t -77.48 87.25 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.436 -1.174 0 CA-C-N 114.169 -1.378 . . . . 0.4 109.311 177.208 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -96.24 -136.98 0.24 Allowed 'General case' 0 C--N 1.298 -1.65 0 CA-C-N 113.578 -1.646 . . . . 1.67 107.209 177.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.772 HD11 HG21 ' A' ' 8' ' ' VAL . 7.7 mp -122.41 -13.66 8.0 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 119.144 0.883 . . . . 1.08 113.145 174.281 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -85.88 -12.61 50.24 Favored 'General case' 0 C--N 1.304 -1.377 0 CA-C-O 122.163 0.982 . . . . 2.11 109.678 -178.145 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.681 ' O ' HG22 ' A' ' 69' ' ' VAL . 61.7 mmtt -78.9 125.86 29.94 Favored 'General case' 0 C--N 1.3 -1.57 0 CA-C-N 113.967 -1.47 . . . . 1.02 112.396 -171.049 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.52 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 4.2 m -91.54 109.56 20.86 Favored 'General case' 0 N--CA 1.397 -3.125 0 N-CA-C 106.236 -1.764 . . . . 1.16 106.236 173.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.658 ' HA ' HD12 ' A' ' 36' ' ' LEU . 54.9 m-85 -28.06 -84.16 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 124.768 1.227 . . . . 0.36 114.191 178.692 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.704 HG23 ' HB ' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -81.86 67.14 7.73 Favored 'General case' 0 C--N 1.291 -1.971 0 N-CA-C 114.126 1.158 . . . . 0.47 114.126 177.132 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.487 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 22.1 t70 -175.03 -57.0 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.381 -0.827 . . . . 0.73 109.47 175.459 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -86.05 -41.15 15.05 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.215 -0.902 . . . . 1.46 110.887 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.658 HD12 ' HA ' ' A' ' 32' ' ' PHE . 89.6 mt -84.95 -50.05 7.82 Favored 'General case' 0 C--N 1.315 -0.916 0 N-CA-C 109.377 -0.601 . . . . 0.58 109.377 179.439 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.2 t70 82.08 90.08 0.04 OUTLIER 'General case' 0 CA--C 1.502 -0.866 0 C-N-CA 125.281 1.432 . . . . 1.14 111.318 -178.62 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.704 ' HB ' HG23 ' A' ' 33' ' ' THR . 63.8 t -104.39 -95.39 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.298 -1.639 0 CA-C-N 114.109 -1.405 . . . . 1.79 109.491 -176.086 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.415 ' O ' ' HB2' ' A' ' 43' ' ' MET . 11.8 t70 173.32 -177.77 0.07 Allowed 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 103.332 -2.84 . . . . 0.79 103.332 -178.129 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 41.3 t -93.23 -42.53 9.3 Favored 'General case' 0 C--N 1.278 -2.508 0 N-CA-C 108.365 -0.976 . . . . 1.23 108.365 -179.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 57.2 mt -78.44 -33.62 48.36 Favored 'General case' 0 N--CA 1.431 -1.386 0 CA-C-N 114.841 -1.072 . . . . 1.02 109.734 -174.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.503 ' HB2' HG12 ' A' ' 38' ' ' VAL . 15.7 m -72.69 -25.95 61.43 Favored 'General case' 0 N--CA 1.431 -1.401 0 CA-C-N 115.387 -0.824 . . . . 1.02 109.051 177.451 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.645 ' HE3' ' HB3' ' A' ' 32' ' ' PHE . 28.9 tpp -64.41 -48.31 75.87 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 115.746 -0.661 . . . . 0.55 110.596 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.423 ' O ' HG23 ' A' ' 48' ' ' VAL . 22.2 t -69.74 -23.7 26.14 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.182 0 CA-C-N 115.401 -0.818 . . . . 0.56 110.853 -176.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.566 ' HB2' HG21 ' A' ' 18' ' ' ILE . 22.0 mm-40 -69.13 -39.77 78.66 Favored 'General case' 0 N--CA 1.441 -0.918 0 N-CA-C 109.246 -0.65 . . . . 2.08 109.246 175.342 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 42' ' ' SER . 87.7 t -60.64 -44.85 97.81 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.572 0 N-CA-C 108.789 -0.819 . . . . 0.52 108.789 176.789 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.608 HG22 HG21 ' A' ' 63' ' ' VAL . 46.8 t -54.02 -63.53 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 O-C-N 123.932 0.77 . . . . 0.38 109.486 176.81 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.495 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 67.7 t -49.12 -51.68 12.49 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 O-C-N 123.621 0.576 . . . . 0.58 111.991 176.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.79 -33.71 76.29 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 112.332 0.493 . . . . 0.42 112.332 -178.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.41 -36.38 83.55 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-O 120.65 0.262 . . . . 0.38 110.701 178.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.495 ' OE1' ' HA ' ' A' ' 48' ' ' VAL . 40.7 mt-10 -60.31 -47.29 86.66 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 109.421 -0.585 . . . . 1.36 109.421 177.396 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -64.98 -38.38 90.78 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 114.847 -1.069 . . . . 2.09 110.523 179.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 39.2 tpt85 -74.62 -35.66 62.92 Favored 'General case' 0 C--N 1.312 -1.065 0 CA-C-N 115.391 -0.822 . . . . 2.75 111.662 -174.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.539 ' CD2' HD13 ' A' ' 76' ' ' ILE . 32.6 m-85 -107.29 2.41 24.56 Favored 'General case' 0 C--N 1.298 -1.663 0 N-CA-C 112.937 0.717 . . . . 0.73 112.937 -175.446 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.0 t70 66.11 22.24 11.12 Favored 'General case' 0 N--CA 1.482 1.157 0 CA-C-O 122.12 0.962 . . . . 2.02 110.28 178.16 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.505 HG22 ' HB2' ' A' ' 54' ' ' PHE . 31.4 m -108.73 -171.67 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 CA-C-N 115.615 -0.721 . . . . 1.61 111.381 -177.138 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.4 ' HD2' ' HA ' ' A' ' 57' ' ' LYS . 27.7 mmmt -132.83 125.95 31.19 Favored 'General case' 0 N--CA 1.437 -1.12 0 N-CA-C 108.239 -1.023 . . . . 1.67 108.239 174.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.554 HD11 HG12 ' A' ' 76' ' ' ILE . 42.1 mt -137.38 99.74 9.6 Favored Pre-proline 0 C--N 1.303 -1.413 0 N-CA-C 107.144 -1.428 . . . . 0.49 107.144 -177.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -72.67 138.11 28.64 Favored 'Trans proline' 0 C--N 1.318 -1.065 0 C-N-CA 121.977 1.785 . . . . 0.62 112.349 -178.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.461 ' HA ' ' CG1' ' A' ' 63' ' ' VAL . 5.6 p-10 -55.55 -18.59 7.73 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.31 1.044 . . . . 2.0 111.934 176.605 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -73.59 -46.24 48.36 Favored 'General case' 0 C--N 1.308 -1.21 0 C-N-CA 123.119 0.568 . . . . 2.09 111.433 176.229 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -86.7 -30.89 21.34 Favored 'General case' 0 CA--C 1.504 -0.801 0 CA-C-O 121.004 0.431 . . . . 1.58 110.995 -174.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.608 HG21 HG22 ' A' ' 47' ' ' VAL . 4.3 p -55.74 -22.18 12.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.025 -0.989 . . . . 0.69 111.862 -177.438 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -60.9 -17.95 53.67 Favored 'General case' 0 N--CA 1.44 -0.971 0 CA-C-N 115.247 -0.888 . . . . 2.44 112.586 -178.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -92.08 -6.74 50.38 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.658 -0.246 . . . . 1.94 111.213 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.85 HD13 ' HA ' ' A' ' 72' ' ' ALA . 67.3 mt -77.38 -70.77 0.45 Allowed 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.715 -0.394 . . . . 1.67 110.547 -176.646 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt 74.99 -47.44 0.62 Allowed 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 124.617 1.167 . . . . 3.18 113.42 175.519 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.52 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 58.3 p -104.68 161.12 14.41 Favored 'General case' 0 N--CA 1.417 -2.108 0 CA-C-O 121.621 0.724 . . . . 0.51 111.971 -177.299 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.693 HG23 ' HA ' ' A' ' 28' ' ' LEU . 4.6 m -66.35 -31.44 53.64 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.989 0 CA-C-N 114.051 -1.431 . . . . 0.35 110.469 175.819 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -75.49 -40.73 31.92 Favored Glycine 0 N--CA 1.435 -1.383 0 CA-C-N 115.678 -0.692 . . . . 0.3 111.651 178.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.46 ' OD1' ' HA ' ' A' ' 66' ' ' LEU . 10.2 t70 -73.54 -34.3 65.13 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.666 -0.494 . . . . 1.79 109.666 -178.366 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.85 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -56.77 -57.91 10.41 Favored 'General case' 0 CA--C 1.515 -0.378 0 N-CA-C 109.234 -0.654 . . . . 0.29 109.234 175.108 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.543 HG23 ' HB ' ' A' ' 7' ' ' ILE . 97.7 m -47.95 -48.46 32.09 Favored 'General case' 0 C--O 1.2 -1.536 0 C-N-CA 123.794 0.838 . . . . 0.31 112.17 172.73 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 28.5 ttpp -56.25 -34.86 66.78 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.29 0.636 . . . . 2.93 111.949 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.437 ' O ' ' HB2' ' A' ' 79' ' ' HIS . 75.6 t80 -73.7 -41.34 62.73 Favored 'General case' 0 C--O 1.201 -1.486 0 N-CA-C 108.843 -0.799 . . . . 0.53 108.843 178.405 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.554 HG12 HD11 ' A' ' 58' ' ' ILE . 68.9 mt -68.41 -44.75 83.16 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.339 0 CA-C-N 115.837 -0.62 . . . . 0.27 109.483 -178.441 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.481 HD22 ' HG2' ' A' ' 4' ' ' GLN . 64.8 tp -54.01 -33.94 58.55 Favored 'General case' 0 C--N 1.316 -0.853 0 C-N-CA 124.408 1.083 . . . . 1.15 110.46 176.491 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -88.09 -40.73 13.56 Favored 'General case' 0 C--N 1.305 -1.369 0 CA-C-N 115.402 -0.817 . . . . 0.67 111.089 -178.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.437 ' HB2' ' O ' ' A' ' 75' ' ' TYR . 0.8 OUTLIER -87.06 5.2 38.78 Favored 'General case' 0 C--N 1.309 -1.161 0 N-CA-C 113.294 0.85 . . . . 1.53 113.294 -172.897 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.412 ' NE2' HG22 ' A' ' 76' ' ' ILE . 83.0 mm-40 -40.07 128.92 2.23 Favored 'General case' 0 C--O 1.244 0.799 0 O-C-N 124.093 0.871 . . . . 0.89 111.454 174.506 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.362 0 O-C-N 123.939 0.774 . . . . 2.36 111.861 -175.841 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.435 ' O ' HG13 ' A' ' 7' ' ' ILE . 62.5 m . . . . . 0 N--CA 1.403 -2.8 0 N-CA-C 107.309 -1.367 . . . . 1.05 107.309 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -44.64 -37.27 3.53 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.87 1.268 . . . . 1.25 112.892 -177.487 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -63.07 -35.2 79.45 Favored 'General case' 0 C--N 1.31 -1.141 0 C-N-CA 123.931 0.892 . . . . 2.3 110.824 -177.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -80.27 -30.45 38.36 Favored 'General case' 0 N--CA 1.437 -1.123 0 CA-C-N 115.365 -0.834 . . . . 1.92 109.853 -179.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.67 ' HB ' HG23 ' A' ' 73' ' ' THR . 25.5 mt -69.17 -52.9 28.9 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.211 0 N-CA-C 107.996 -1.113 . . . . 0.29 107.996 178.711 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.849 HG21 HD11 ' A' ' 28' ' ' LEU . 93.3 t -58.08 -33.93 47.86 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-N 116.151 -0.477 . . . . 0.32 110.613 175.362 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.514 ' O ' ' HG2' ' A' ' 13' ' ' GLU . . . -65.81 -41.51 91.79 Favored 'General case' 0 N--CA 1.445 -0.685 0 N-CA-C 109.848 -0.427 . . . . 0.32 109.848 177.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.14 -43.7 89.23 Favored Glycine 0 CA--C 1.495 -1.194 0 N-CA-C 110.773 -0.931 . . . . 0.31 110.773 178.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.451 ' HA ' HD12 ' A' ' 14' ' ' ILE . 86.8 mt -59.36 -42.17 90.97 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.592 -0.304 . . . . 0.29 110.651 176.808 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.41 -39.07 78.75 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 123.141 0.577 . . . . 0.24 110.874 177.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.514 ' HG2' ' O ' ' A' ' 9' ' ' ALA . 24.8 mm-40 -61.83 -52.98 61.95 Favored 'General case' 0 CA--C 1.503 -0.831 0 CA-C-O 121.645 0.736 . . . . 1.46 109.634 176.607 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.451 HD12 ' HA ' ' A' ' 11' ' ' LEU . 93.4 mt -54.78 -52.16 45.0 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 CA-C-N 113.702 -1.59 . . . . 0.41 110.332 -179.305 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.532 HG12 ' HB ' ' A' ' 21' ' ' ILE . 91.7 t -62.58 -37.43 78.9 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.981 0 CA-C-N 115.62 -0.718 . . . . 0.29 111.45 179.605 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.468 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 4.0 t-20 -64.07 -39.36 93.9 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-O 121.277 0.56 . . . . 0.64 109.601 179.33 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -71.87 -63.95 1.03 Allowed 'General case' 0 C--N 1.303 -1.434 0 CA-C-N 114.771 -1.104 . . . . 2.0 111.474 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.465 HG22 ' HB3' ' A' ' 42' ' ' SER . 76.0 mt -77.45 -52.84 15.66 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.2 0 CA-C-N 115.845 -0.616 . . . . 0.28 112.353 -171.147 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.517 ' HB2' HG13 ' A' ' 38' ' ' VAL . . . -77.6 -29.11 51.76 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-O 120.726 0.298 . . . . 0.34 110.392 -177.181 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.61 39.76 33.94 Favored Glycine 0 N--CA 1.442 -0.929 0 N-CA-C 110.709 -0.956 . . . . 0.46 110.709 -177.449 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.532 ' HB ' HG12 ' A' ' 15' ' ' VAL . 51.4 mm -117.82 136.66 23.8 Favored Pre-proline 0 C--N 1.314 -0.973 0 N-CA-C 109.202 -0.666 . . . . 0.42 109.202 -178.274 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.477 ' HD2' ' HA ' ' A' ' 21' ' ' ILE . 2.9 Cg_exo -35.74 122.84 0.25 Allowed 'Trans proline' 0 C--N 1.352 0.759 1 C-N-CA 125.504 4.136 . . . . 0.41 114.932 175.335 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 83.3 t -52.77 -42.47 42.25 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.626 0 CA-C-N 114.132 -1.395 . . . . 0.69 108.135 175.242 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -75.69 -22.25 56.84 Favored 'General case' 0 C--N 1.292 -1.928 0 CA-C-N 113.523 -1.671 . . . . 2.34 113.476 -174.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -82.53 -15.8 51.01 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 119.581 -0.848 . . . . 0.69 109.435 -179.269 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.639 HG13 HG11 ' A' ' 69' ' ' VAL . 55.1 t -78.34 79.22 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.308 -1.23 0 C-N-CA 125.081 1.352 . . . . 0.4 110.312 179.773 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.517 ' O ' HG21 ' A' ' 69' ' ' VAL . 11.4 pttm -116.01 169.45 9.24 Favored 'General case' 0 N--CA 1.424 -1.733 0 CA-C-N 113.615 -1.629 . . . . 1.67 106.83 174.284 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.849 HD11 HG21 ' A' ' 8' ' ' VAL . 6.6 mp -74.01 9.85 1.41 Allowed 'General case' 0 N--CA 1.484 1.241 0 N-CA-C 116.281 1.956 . . . . 1.08 116.281 -165.017 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -97.9 -3.26 38.94 Favored 'General case' 0 C--N 1.286 -2.165 0 CA-C-O 122.488 1.137 . . . . 2.11 108.89 178.036 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.443 ' O ' HG22 ' A' ' 69' ' ' VAL . 69.6 mmtt -99.19 122.04 41.85 Favored 'General case' 0 N--CA 1.423 -1.81 0 CA-C-N 114.736 -1.12 . . . . 1.02 113.11 -170.676 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.688 ' HB3' ' HB3' ' A' ' 34' ' ' ASP . 37.1 t -95.29 116.21 28.46 Favored 'General case' 0 N--CA 1.416 -2.161 0 N-CA-C 105.459 -2.052 . . . . 1.16 105.459 169.339 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.71 ' HA ' HD12 ' A' ' 36' ' ' LEU . 87.6 m-85 -35.0 -76.77 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.902 1.281 . . . . 0.36 113.718 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.492 HG23 ' HB ' ' A' ' 38' ' ' VAL . 0.2 OUTLIER -84.76 48.41 1.54 Allowed 'General case' 0 C--N 1.307 -1.266 0 N-CA-C 113.074 0.768 . . . . 0.47 113.074 179.3 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.688 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 6.8 t70 -149.35 -52.97 0.16 Allowed 'General case' 0 C--N 1.307 -1.279 0 CA-C-N 115.645 -0.707 . . . . 0.73 110.732 179.534 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -104.56 -54.89 2.44 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-N 115.832 -0.622 . . . . 1.46 109.707 -176.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.71 HD12 ' HA ' ' A' ' 32' ' ' PHE . 82.9 mt -62.68 -47.55 83.16 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.242 -0.89 . . . . 0.58 109.249 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.5 t70 75.4 86.95 0.09 Allowed 'General case' 0 CA--C 1.502 -0.866 0 C-N-CA 126.152 1.781 . . . . 1.14 109.824 -179.061 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.517 HG13 ' HB2' ' A' ' 19' ' ' ALA . 88.7 t -80.9 -86.87 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.305 -1.363 0 CA-C-N 114.175 -1.375 . . . . 1.79 108.24 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.5 t70 170.18 174.18 0.06 Allowed 'General case' 0 CA--C 1.485 -1.537 0 N-CA-C 103.024 -2.954 . . . . 0.79 103.024 178.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.1 t -90.04 -31.95 16.95 Favored 'General case' 0 C--N 1.248 -3.837 0 N-CA-C 108.173 -1.047 . . . . 1.23 108.173 -173.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 83.8 mt -87.02 -45.39 10.8 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 115.279 -0.873 . . . . 1.02 109.781 -179.132 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.465 ' HB3' HG22 ' A' ' 18' ' ' ILE . 13.5 m -64.24 -22.16 66.85 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 115.802 -0.636 . . . . 1.02 110.26 -176.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.533 ' O ' HG23 ' A' ' 47' ' ' VAL . 21.7 tpp -55.12 -43.05 73.75 Favored 'General case' 0 N--CA 1.44 -0.942 0 CA-C-N 115.026 -0.988 . . . . 0.55 110.666 175.767 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.427 ' O ' HG23 ' A' ' 48' ' ' VAL . 47.5 t -70.15 -26.07 28.84 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.19 0 CA-C-N 115.973 -0.558 . . . . 0.56 110.875 -175.425 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -81.96 -23.88 35.84 Favored 'General case' 0 N--CA 1.427 -1.604 0 C-N-CA 119.583 -0.847 . . . . 2.08 110.707 177.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 42' ' ' SER . 87.7 t -65.63 -40.69 88.71 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 N-CA-C 107.714 -1.217 . . . . 0.52 107.714 173.559 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.792 HG22 HG21 ' A' ' 63' ' ' VAL . 21.7 t -58.85 -61.65 1.33 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 N-CA-C 108.134 -1.062 . . . . 0.38 108.134 175.272 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 44' ' ' VAL . 84.2 t -49.38 -48.71 18.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 CA-C-N 115.843 -0.617 . . . . 0.58 112.322 177.115 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.58 -23.81 65.44 Favored 'General case' 0 C--O 1.212 -0.909 0 O-C-N 121.841 -0.537 . . . . 0.42 112.439 -178.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.37 -35.42 77.69 Favored 'General case' 0 C--O 1.24 0.561 0 N-CA-C 109.068 -0.716 . . . . 0.38 109.068 176.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.621 ' HG2' ' H ' ' A' ' 58' ' ' ILE . 35.5 mt-10 -65.92 -50.62 63.76 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 107.971 -1.122 . . . . 1.36 107.971 176.046 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -55.1 -37.94 67.5 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 114.096 -1.411 . . . . 2.09 111.051 -179.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.1 tpt180 -83.54 -52.57 6.37 Favored 'General case' 0 N--CA 1.429 -1.482 0 CA-C-N 115.582 -0.735 . . . . 2.75 111.557 -173.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.551 ' HB2' HG12 ' A' ' 56' ' ' VAL . 48.9 m-85 -95.53 -4.47 44.72 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 114.116 1.154 . . . . 0.73 114.116 -170.223 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 36.5 t70 77.59 -7.34 1.85 Allowed 'General case' 0 N--CA 1.5 2.031 0 C-N-CA 124.388 1.075 . . . . 2.02 111.257 177.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.551 HG12 ' HB2' ' A' ' 54' ' ' PHE . 11.7 p -76.52 164.71 3.42 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.162 0 CA-C-N 114.893 -1.048 . . . . 1.61 109.929 -179.641 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.438 ' HD2' ' OE2' ' A' ' 51' ' ' GLU . 24.0 tptm -110.73 105.88 14.9 Favored 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 108.627 -0.879 . . . . 1.67 108.627 178.19 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.707 HD11 HG12 ' A' ' 76' ' ' ILE . 21.9 mt -126.25 96.58 36.3 Favored Pre-proline 0 C--N 1.299 -1.622 0 N-CA-C 106.759 -1.571 . . . . 0.49 106.759 178.346 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.58 ' HD2' ' HB2' ' A' ' 62' ' ' ASP . 81.4 Cg_endo -86.68 165.94 8.95 Favored 'Trans proline' 0 N--CA 1.436 -1.874 0 C-N-CA 121.666 1.577 . . . . 0.62 110.939 177.393 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.483 ' O ' HG12 ' A' ' 63' ' ' VAL . 4.1 p-10 -51.81 -22.42 3.65 Favored 'General case' 0 C--N 1.319 -0.737 0 C-N-CA 124.394 1.078 . . . . 2.0 113.118 178.096 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.476 ' HA ' ' HE3' ' A' ' 64' ' ' LYS . 14.1 t70 -74.17 -50.37 19.57 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.031 0.443 . . . . 2.09 110.561 176.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.58 ' HB2' ' HD2' ' A' ' 59' ' ' PRO . 3.2 m-20 -72.36 -25.61 61.59 Favored 'General case' 0 CA--C 1.493 -1.214 0 CA-C-N 116.1 -0.5 . . . . 1.58 111.121 -179.748 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.792 HG21 HG22 ' A' ' 47' ' ' VAL . 0.8 OUTLIER -65.48 -21.33 29.02 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.163 0 CA-C-N 115.936 -0.574 . . . . 0.69 111.05 179.04 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.479 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 10.3 mtmp? -66.93 -1.81 4.49 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.111 0.564 . . . . 2.44 112.279 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -107.43 1.41 23.56 Favored 'General case' 0 CA--C 1.498 -1.021 0 N-CA-C 107.222 -1.399 . . . . 1.94 107.222 -178.094 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.57 HD13 ' HA ' ' A' ' 72' ' ' ALA . 38.9 mt -119.47 150.06 40.85 Favored 'General case' 0 N--CA 1.397 -3.124 0 N-CA-C 107.016 -1.476 . . . . 1.67 107.016 -175.499 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.473 ' HD2' ' OD2' ' A' ' 71' ' ' ASP 0.281 0.0 OUTLIER -153.45 -34.42 0.11 Allowed 'General case' 0 C--N 1.278 -2.505 0 CA-C-N 115.124 -0.944 . . . . 3.18 112.215 176.138 . . . . . . . . 4 4 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.648 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 75.8 p -101.92 170.5 8.1 Favored 'General case' 0 C--N 1.308 -1.234 0 C-N-CA 117.44 -1.704 . . . . 0.51 110.548 173.573 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.809 HG23 ' HA ' ' A' ' 28' ' ' LEU . 6.9 m -62.77 -33.1 58.24 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.477 0 CA-C-N 114.8 -1.091 . . . . 0.35 109.201 172.278 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -67.06 -42.57 92.09 Favored Glycine 0 N--CA 1.434 -1.45 0 CA-C-N 114.882 -1.054 . . . . 0.3 111.517 178.04 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.473 ' OD2' ' HD2' ' A' ' 67' ' ' LYS . 15.0 m-20 -62.62 -47.77 82.31 Favored 'General case' 0 CA--C 1.486 -1.496 0 N-CA-C 109.737 -0.468 . . . . 1.79 109.737 177.776 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.57 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -54.03 -59.76 4.22 Favored 'General case' 0 N--CA 1.445 -0.683 0 O-C-N 124.313 1.008 . . . . 0.29 109.695 -179.756 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.67 HG23 ' HB ' ' A' ' 7' ' ' ILE . 85.8 m -49.1 -46.46 44.78 Favored 'General case' 0 C--O 1.202 -1.445 0 C-N-CA 123.729 0.811 . . . . 0.31 112.536 174.609 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -63.32 -31.81 73.06 Favored 'General case' 0 C--N 1.315 -0.923 0 C-N-CA 122.646 0.378 . . . . 2.93 111.071 -177.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.557 ' HB2' HD21 ' A' ' 66' ' ' LEU . 78.9 t80 -76.37 -44.13 37.69 Favored 'General case' 0 C--O 1.203 -1.385 0 N-CA-C 108.213 -1.032 . . . . 0.53 108.213 178.036 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.707 HG12 HD11 ' A' ' 58' ' ' ILE . 74.7 mt -62.3 -49.73 82.8 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.068 0 CA-C-N 115.705 -0.68 . . . . 0.27 109.959 -179.585 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 47.9 tp -49.96 -41.98 47.8 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 124.587 1.155 . . . . 1.15 111.017 179.356 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -89.34 -41.54 12.08 Favored 'General case' 0 C--N 1.296 -1.758 0 CA-C-N 115.392 -0.822 . . . . 0.67 112.78 -176.215 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.4 ' HB2' ' O ' ' A' ' 75' ' ' TYR . 0.2 OUTLIER -85.03 4.99 31.34 Favored 'General case' 0 C--N 1.308 -1.204 0 N-CA-C 113.138 0.792 . . . . 1.53 113.138 -174.867 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.444 ' NE2' HG22 ' A' ' 76' ' ' ILE . 82.9 mm-40 -35.16 131.47 0.42 Allowed 'General case' 0 N--CA 1.492 1.65 0 C-N-CA 124.193 0.997 . . . . 0.89 111.532 175.567 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.165 0 CA-C-O 119.026 -0.511 . . . . 2.36 110.738 -176.494 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.573 ' O ' HG13 ' A' ' 7' ' ' ILE . 4.5 m . . . . . 0 N--CA 1.415 -2.218 0 N-CA-C 107.757 -1.201 . . . . 1.05 107.757 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.503 ' HA ' HD12 ' A' ' 7' ' ' ILE . 23.3 mt-30 -52.52 -36.39 55.31 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 124.279 1.031 . . . . 1.25 111.513 -174.324 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -62.75 -41.02 99.0 Favored 'General case' 0 C--N 1.302 -1.462 0 CA-C-N 114.919 -1.037 . . . . 2.3 110.221 179.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -75.38 -28.47 59.51 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.668 -0.696 . . . . 1.92 110.225 -179.261 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.573 HG13 ' O ' ' A' ' 3' ' ' THR . 31.5 mt -65.7 -56.47 14.91 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.098 0 N-CA-C 107.859 -1.163 . . . . 0.29 107.859 176.027 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.472 ' HA ' HD12 ' A' ' 11' ' ' LEU . 84.5 t -58.54 -33.26 47.85 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.945 0 CA-C-N 115.882 -0.599 . . . . 0.32 110.887 175.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.443 ' O ' ' HG2' ' A' ' 13' ' ' GLU . . . -66.53 -41.9 88.04 Favored 'General case' 0 C--O 1.221 -0.417 0 N-CA-C 110.122 -0.325 . . . . 0.32 110.122 177.356 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -62.41 -41.09 99.78 Favored Glycine 0 CA--C 1.507 -0.465 0 N-CA-C 110.919 -0.872 . . . . 0.31 110.919 176.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.472 HD12 ' HA ' ' A' ' 8' ' ' VAL . 88.3 mt -61.02 -43.31 99.08 Favored 'General case' 0 N--CA 1.434 -1.257 0 C-N-CA 122.894 0.478 . . . . 0.29 109.86 175.408 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.18 -41.71 89.1 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 123.55 0.74 . . . . 0.24 111.526 178.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.443 ' HG2' ' O ' ' A' ' 9' ' ' ALA . 10.1 mm-40 -54.18 -52.41 61.27 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-O 121.925 0.869 . . . . 1.46 109.777 176.213 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.69 -52.27 62.82 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.053 0 CA-C-N 113.154 -1.839 . . . . 0.41 110.605 -177.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.516 HG11 HD13 ' A' ' 36' ' ' LEU . 92.7 t -58.74 -41.95 83.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.332 -0.394 . . . . 0.29 110.928 178.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.526 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 5.4 t-20 -60.39 -43.25 96.84 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-O 121.023 0.44 . . . . 0.64 110.226 -179.621 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -70.45 -58.49 3.66 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-N 115.582 -0.736 . . . . 2.0 111.148 -179.372 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.619 HG21 ' HB2' ' A' ' 45' ' ' GLU . 80.2 mt -78.36 -53.29 14.24 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.915 0 N-CA-C 113.156 0.798 . . . . 0.28 113.156 -172.055 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.644 ' HB2' HG13 ' A' ' 38' ' ' VAL . . . -77.03 -31.72 56.48 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.103 0.478 . . . . 0.34 109.956 -177.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.7 11.62 63.61 Favored Glycine 0 C--O 1.227 -0.296 0 CA-C-N 115.438 -0.801 . . . . 0.46 111.609 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.526 ' O ' ' HA ' ' A' ' 16' ' ' ASN . 49.9 mm -95.19 131.38 30.1 Favored Pre-proline 0 C--N 1.309 -1.193 0 CA-C-O 119.525 -0.274 . . . . 0.42 110.432 -176.434 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.498 ' HD2' ' HA ' ' A' ' 21' ' ' ILE . 14.1 Cg_exo -32.34 127.13 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.157 1 C-N-CA 125.605 4.204 . . . . 0.41 114.801 174.088 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 93.4 t -51.21 -36.44 16.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 CA-C-N 114.594 -1.184 . . . . 0.69 108.935 176.177 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -92.4 0.11 57.41 Favored 'General case' 0 N--CA 1.417 -2.081 0 N-CA-C 114.22 1.193 . . . . 2.34 114.22 -174.306 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.688 ' O ' ' HE3' ' A' ' 30' ' ' LYS . 18.8 t70 -93.32 -15.05 26.19 Favored 'General case' 0 C--O 1.208 -1.125 0 N-CA-C 106.693 -1.595 . . . . 0.69 106.693 172.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.489 ' HA ' HD21 ' A' ' 36' ' ' LEU . 81.7 t -78.18 71.83 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.058 0 CA-C-N 114.364 -1.289 . . . . 0.4 108.91 179.695 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.771 ' O ' HG21 ' A' ' 69' ' ' VAL . 80.1 mttt -85.96 179.35 7.01 Favored 'General case' 0 CA--C 1.489 -1.401 0 N-CA-C 107.312 -1.366 . . . . 1.67 107.312 178.087 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.469 ' O ' HD23 ' A' ' 28' ' ' LEU . 5.9 tt -86.16 -5.32 59.22 Favored 'General case' 0 C--N 1.291 -1.953 0 CA-C-O 121.605 0.717 . . . . 1.08 112.841 -170.494 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -96.65 -4.52 40.83 Favored 'General case' 0 C--N 1.274 -2.71 0 CA-C-O 121.216 0.531 . . . . 2.11 110.031 179.122 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.688 ' HE3' ' O ' ' A' ' 25' ' ' ASP . 63.1 mmtt -75.03 122.61 23.79 Favored 'General case' 0 C--N 1.309 -1.17 0 N-CA-C 113.237 0.829 . . . . 1.02 113.237 -172.765 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.534 ' HA ' HG22 ' A' ' 68' ' ' THR . 1.0 OUTLIER -90.74 38.06 0.94 Allowed 'General case' 0 CA--C 1.554 1.103 0 CA-C-N 116.315 -0.402 . . . . 1.16 111.165 -179.767 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.751 ' HA ' HD12 ' A' ' 36' ' ' LEU . 62.6 m-85 50.73 -100.65 0.09 Allowed 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 114.214 1.19 . . . . 0.36 114.214 178.766 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.506 HG23 ' HB ' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -69.09 33.46 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.801 0 C-N-CA 125.804 1.642 . . . . 0.47 115.125 -178.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -143.32 -71.88 0.3 Allowed 'General case' 0 C--N 1.294 -1.83 0 CA-C-N 116.331 -0.395 . . . . 0.73 110.677 178.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -78.49 -40.48 35.26 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.942 0.401 . . . . 1.46 111.265 -176.124 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.751 HD12 ' HA ' ' A' ' 32' ' ' PHE . 95.3 mt -74.51 -52.7 11.17 Favored 'General case' 0 CA--C 1.507 -0.699 0 N-CA-C 108.349 -0.982 . . . . 0.58 108.349 176.022 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.2 t70 81.53 92.89 0.04 OUTLIER 'General case' 0 CA--C 1.499 -0.994 0 C-N-CA 126.556 1.942 . . . . 1.14 109.83 -178.076 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.644 HG13 ' HB2' ' A' ' 19' ' ' ALA . 89.2 t -92.91 -90.74 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.295 -1.8 0 CA-C-N 114.084 -1.416 . . . . 1.79 107.847 -177.057 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.7 t70 172.12 171.43 0.1 Allowed 'General case' 0 CA--C 1.481 -1.69 0 N-CA-C 103.413 -2.81 . . . . 0.79 103.413 177.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.7 t -88.98 -31.82 17.94 Favored 'General case' 0 C--N 1.258 -3.371 0 N-CA-C 108.457 -0.942 . . . . 1.23 108.457 -173.309 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 91.8 mt -86.35 -33.33 20.59 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-O 121.451 0.643 . . . . 1.02 110.72 -178.261 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.467 ' HB3' HG22 ' A' ' 18' ' ' ILE . 7.4 m -74.46 -14.11 60.79 Favored 'General case' 0 N--CA 1.434 -1.236 0 CA-C-N 115.412 -0.813 . . . . 1.02 110.68 -176.391 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.529 ' HE3' ' HB3' ' A' ' 32' ' ' PHE . 28.9 tpp -64.48 -38.81 92.31 Favored 'General case' 0 N--CA 1.439 -0.976 0 CA-C-N 115.714 -0.675 . . . . 0.55 111.102 179.749 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.45 ' O ' HG23 ' A' ' 48' ' ' VAL . 38.7 t -72.5 -23.5 21.13 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.681 0 CA-C-N 116.064 -0.516 . . . . 0.56 110.138 -178.212 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.619 ' HB2' HG21 ' A' ' 18' ' ' ILE . 8.6 mm-40 -73.11 -35.52 66.57 Favored 'General case' 0 N--CA 1.438 -1.068 0 N-CA-C 108.05 -1.093 . . . . 2.08 108.05 179.61 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 66.6 t -60.2 -46.52 94.53 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.39 0 N-CA-C 108.283 -1.006 . . . . 0.52 108.283 175.16 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.521 HG13 HG21 ' A' ' 63' ' ' VAL . 92.4 t -53.12 -63.57 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 O-C-N 123.99 0.806 . . . . 0.38 109.601 175.638 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 44' ' ' VAL . 86.6 t -46.76 -52.13 4.17 Favored 'Isoleucine or valine' 0 C--O 1.251 1.155 0 O-C-N 124.063 0.852 . . . . 0.58 111.596 179.199 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.88 -39.45 94.23 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.271 -0.422 . . . . 0.42 111.939 -179.32 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.4 -43.4 98.91 Favored 'General case' 0 C--O 1.242 0.672 0 C-N-CA 122.334 0.254 . . . . 0.38 111.325 -179.058 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.641 ' HG2' ' H ' ' A' ' 58' ' ' ILE . 40.2 mt-10 -56.6 -36.2 69.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.772 0.796 . . . . 1.36 110.593 179.189 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -83.24 -48.75 10.14 Favored 'General case' 0 C--N 1.306 -1.302 0 CA-C-N 114.943 -1.026 . . . . 2.09 111.564 -179.264 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 -64.41 -38.0 89.48 Favored 'General case' 0 CA--C 1.504 -0.794 0 C-N-CA 123.316 0.647 . . . . 2.75 110.793 -171.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.522 ' CD2' HG21 ' A' ' 76' ' ' ILE . 51.4 m-85 -100.32 -7.41 24.54 Favored 'General case' 0 C--N 1.297 -1.712 0 CA-C-N 115.22 -0.9 . . . . 0.73 111.109 -176.028 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.451 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 11.8 m-20 63.84 14.67 8.5 Favored 'General case' 0 N--CA 1.494 1.77 0 C-N-CA 124.45 1.1 . . . . 2.02 112.787 -178.54 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.579 ' O ' ' HA ' ' A' ' 51' ' ' GLU . 5.7 p -108.78 123.26 64.45 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.564 0 N-CA-C 108.963 -0.754 . . . . 1.61 108.963 179.757 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -70.89 103.87 2.76 Favored 'General case' 0 C--N 1.299 -1.589 0 CA-C-N 115.425 -0.807 . . . . 1.67 109.995 -178.067 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.713 HG22 HG23 ' A' ' 63' ' ' VAL . 11.5 mt -125.22 86.75 56.51 Favored Pre-proline 0 C--N 1.299 -1.593 0 N-CA-C 107.061 -1.459 . . . . 0.49 107.061 176.711 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -71.52 162.83 41.0 Favored 'Trans proline' 0 N--CA 1.442 -1.502 0 C-N-CA 121.107 1.205 . . . . 0.62 110.15 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.548 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 5.4 p-10 -48.42 -31.47 6.29 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.113 0.565 . . . . 2.0 111.574 179.171 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.461 ' HA ' ' HE3' ' A' ' 64' ' ' LYS . 21.1 t70 -60.2 -51.4 69.73 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 123.337 0.655 . . . . 2.09 112.019 177.659 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -73.71 -30.83 63.08 Favored 'General case' 0 N--CA 1.493 1.687 0 CA-C-O 121.555 0.693 . . . . 1.58 110.194 179.421 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.713 HG23 HG22 ' A' ' 58' ' ' ILE . 5.4 t -59.44 -22.62 23.32 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.572 0 CA-C-N 114.437 -1.256 . . . . 0.69 111.545 177.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.548 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 10.2 mtmp? -70.91 -1.83 13.14 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 113.284 0.846 . . . . 2.44 113.284 179.161 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -107.72 -11.7 15.37 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 106.694 -1.595 . . . . 1.94 106.694 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.566 ' HA ' ' OD1' ' A' ' 71' ' ' ASP . 52.7 mt -97.36 146.6 25.01 Favored 'General case' 0 N--CA 1.428 -1.527 0 N-CA-C 105.998 -1.853 . . . . 1.67 105.998 179.06 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.444 ' HE2' ' OD2' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -149.26 -9.3 0.33 Allowed 'General case' 0 C--N 1.282 -2.364 0 N-CA-C 113.798 1.036 . . . . 3.18 113.798 -178.2 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.534 HG22 ' HA ' ' A' ' 31' ' ' SER . 26.8 p -137.69 172.93 12.22 Favored 'General case' 0 N--CA 1.423 -1.787 0 N-CA-C 109.402 -0.592 . . . . 0.51 109.402 176.387 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.771 HG21 ' O ' ' A' ' 27' ' ' LYS . 3.3 m -60.64 -48.8 87.11 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.746 0 CA-C-N 115.023 -0.99 . . . . 0.35 109.852 173.585 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.486 ' H ' HG23 ' A' ' 69' ' ' VAL . . . -64.26 -32.82 85.47 Favored Glycine 0 N--CA 1.436 -1.366 0 CA-C-N 115.86 -0.609 . . . . 0.3 112.481 177.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.566 ' OD1' ' HA ' ' A' ' 66' ' ' LEU . 6.4 t70 -69.94 -43.46 71.58 Favored 'General case' 0 CA--C 1.508 -0.661 0 N-CA-C 108.807 -0.812 . . . . 1.79 108.807 -179.521 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.494 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -57.29 -53.0 63.07 Favored 'General case' 0 CA--C 1.514 -0.408 0 N-CA-C 108.62 -0.881 . . . . 0.29 108.62 176.106 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.482 ' HA ' HG21 ' A' ' 7' ' ' ILE . 85.7 m -48.86 -48.08 42.32 Favored 'General case' 0 C--O 1.188 -2.138 0 C-N-CA 123.843 0.857 . . . . 0.31 111.737 172.452 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 28.3 tptp -58.51 -26.87 63.93 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 123.252 0.621 . . . . 2.93 111.458 -179.254 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.459 ' HB2' HD21 ' A' ' 66' ' ' LEU . 44.9 t80 -83.96 -51.27 7.27 Favored 'General case' 0 C--N 1.314 -0.969 0 N-CA-C 108.552 -0.907 . . . . 0.53 108.552 177.26 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.523 HG12 HD11 ' A' ' 58' ' ' ILE . 82.0 mt -60.5 -51.74 69.56 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.536 0 C-N-CA 124.308 1.043 . . . . 0.27 111.242 -178.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.524 ' HA ' HE21 ' A' ' 80' ' ' GLN . 59.0 tp -50.83 -41.19 57.4 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.31 1.044 . . . . 1.15 111.352 179.329 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -77.87 -46.14 22.21 Favored 'General case' 0 C--N 1.307 -1.264 0 CA-C-N 114.879 -1.055 . . . . 0.67 110.322 -175.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -72.0 -58.93 3.02 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-N 114.702 -1.135 . . . . 1.53 113.587 -177.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.524 HE21 ' HA ' ' A' ' 77' ' ' LEU . 84.2 mm-40 39.83 95.74 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 125.485 1.514 . . . . 0.89 114.778 -174.276 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.451 ' HA ' ' O ' ' A' ' 55' ' ' ASP . . . . . . . . 0 C--O 1.249 1.037 0 C-N-CA 124.319 1.047 . . . . 2.36 111.599 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.4 m . . . . . 0 N--CA 1.422 -1.838 0 N-CA-C 105.913 -1.884 . . . . 1.05 105.913 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.567 ' HA ' HD12 ' A' ' 7' ' ' ILE . 52.7 mt-30 -50.61 -30.9 14.47 Favored 'General case' 0 C--N 1.312 -1.023 0 N-CA-C 114.341 1.237 . . . . 1.25 114.341 -173.321 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -61.76 -39.18 90.72 Favored 'General case' 0 C--N 1.315 -0.904 0 C-N-CA 122.769 0.428 . . . . 2.3 110.347 175.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -74.41 -26.56 60.16 Favored 'General case' 0 C--N 1.315 -0.92 0 C-N-CA 123.839 0.855 . . . . 1.92 108.794 -178.3 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.632 ' HA ' ' HE2' ' A' ' 54' ' ' PHE . 29.9 mt -71.81 -57.91 6.31 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.246 0 N-CA-C 107.678 -1.23 . . . . 0.29 107.678 177.461 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.9 t -54.88 -48.19 74.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.622 -0.717 . . . . 0.32 110.616 177.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.15 -32.59 74.36 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.556 -0.293 . . . . 0.32 111.318 179.288 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.52 -44.06 97.18 Favored Glycine 0 CA--C 1.495 -1.184 0 N-CA-C 109.629 -1.389 . . . . 0.31 109.629 175.443 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.461 ' O ' HG23 ' A' ' 15' ' ' VAL . 96.9 mt -60.13 -49.69 76.65 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 109.237 -0.653 . . . . 0.29 109.237 175.598 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.36 -45.37 72.75 Favored 'General case' 0 C--N 1.317 -0.819 0 C-N-CA 124.216 1.006 . . . . 0.24 112.721 -178.165 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -69.64 -21.72 63.53 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 112.83 0.678 . . . . 1.46 112.83 -179.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 96.4 mt -86.0 -42.87 16.2 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.284 0 CA-C-O 121.464 0.65 . . . . 0.41 109.305 176.072 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 11' ' ' LEU . 78.4 t -61.41 -43.26 96.4 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.993 0 CA-C-N 115.845 -0.616 . . . . 0.29 110.905 179.23 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -63.72 -29.38 70.6 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-O 121.498 0.666 . . . . 0.64 110.133 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -79.14 -53.49 6.94 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 114.938 -1.028 . . . . 2.0 110.975 -179.05 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.651 HG22 ' HB3' ' A' ' 42' ' ' SER . 92.0 mt -87.37 -53.07 10.72 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.706 0 N-CA-C 112.734 0.642 . . . . 0.28 112.734 -175.034 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.593 ' HB2' HG13 ' A' ' 38' ' ' VAL . . . -75.34 -37.94 60.43 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.996 0.427 . . . . 0.34 110.678 -177.069 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.38 3.35 61.46 Favored Glycine 0 N--CA 1.447 -0.617 0 CA-C-N 115.228 -0.896 . . . . 0.46 111.013 -178.329 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.447 ' HA ' ' HD2' ' A' ' 22' ' ' PRO . 48.4 mm -88.09 130.44 46.24 Favored Pre-proline 0 C--N 1.31 -1.111 0 N-CA-C 109.674 -0.491 . . . . 0.42 109.674 -178.133 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.447 ' HD2' ' HA ' ' A' ' 21' ' ' ILE . 7.6 Cg_exo -34.3 132.78 0.16 Allowed 'Trans proline' 0 C--N 1.354 0.862 1 C-N-CA 125.399 4.066 . . . . 0.41 115.276 175.66 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 97.1 t -55.06 -33.18 28.81 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.416 0 CA-C-N 114.146 -1.388 . . . . 0.69 107.757 174.274 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.455 ' O ' ' HE3' ' A' ' 27' ' ' LYS . 11.3 pt-20 -87.2 -9.04 56.18 Favored 'General case' 0 C--N 1.297 -1.685 0 CA-C-N 114.045 -1.434 . . . . 2.34 113.806 -175.562 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.531 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 24.5 t70 -89.65 -18.5 26.37 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 107.519 -1.289 . . . . 0.69 107.519 178.581 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.729 HG13 HG11 ' A' ' 69' ' ' VAL . 53.0 t -81.2 81.14 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.432 -1.348 0 CA-C-N 113.475 -1.693 . . . . 0.4 108.271 178.17 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.455 ' HE3' ' O ' ' A' ' 24' ' ' GLU . 34.0 mmtp -92.09 -122.63 0.08 Allowed 'General case' 0 C--N 1.297 -1.702 0 CA-C-N 113.525 -1.67 . . . . 1.67 109.744 178.385 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.61 ' HA ' HG23 ' A' ' 69' ' ' VAL . 5.7 tt -134.89 -23.33 1.56 Allowed 'General case' 0 C--N 1.314 -0.951 0 C-N-CA 118.431 -1.307 . . . . 1.08 111.846 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -90.84 -3.53 57.3 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-O 122.507 1.146 . . . . 2.11 109.126 -179.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.671 ' O ' HG22 ' A' ' 69' ' ' VAL . 41.1 mmtm -82.57 120.82 26.01 Favored 'General case' 0 C--N 1.298 -1.637 0 CA-C-N 114.461 -1.245 . . . . 1.02 112.085 -172.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.747 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 7.3 m -85.05 120.02 26.09 Favored 'General case' 0 N--CA 1.398 -3.069 0 N-CA-C 107.569 -1.271 . . . . 1.16 107.569 175.704 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.779 ' HA ' HD12 ' A' ' 36' ' ' LEU . 68.9 m-85 -32.81 -91.74 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 114.554 1.316 . . . . 0.36 114.554 174.072 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.683 HG23 ' HB ' ' A' ' 38' ' ' VAL . 0.7 OUTLIER -81.68 60.65 4.72 Favored 'General case' 0 C--N 1.284 -2.247 0 N-CA-C 113.575 0.954 . . . . 0.47 113.575 177.394 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.664 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 23.0 t70 -169.14 -49.15 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.496 0 CA-C-O 120.993 0.425 . . . . 0.73 110.394 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -95.36 -51.77 4.44 Favored 'General case' 0 N--CA 1.482 1.157 0 N-CA-C 109.179 -0.674 . . . . 1.46 109.179 175.276 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.779 HD12 ' HA ' ' A' ' 32' ' ' PHE . 80.6 mt -72.34 -51.72 19.36 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.328 -0.851 . . . . 0.58 110.118 -177.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.3 t70 80.51 95.79 0.05 Allowed 'General case' 0 CA--C 1.504 -0.813 0 C-N-CA 126.254 1.822 . . . . 1.14 109.467 -176.63 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.683 ' HB ' HG23 ' A' ' 33' ' ' THR . 93.9 t -98.42 -90.88 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.298 -1.65 0 CA-C-N 114.577 -1.192 . . . . 1.79 110.141 -173.415 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.585 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 18.3 t70 174.22 -175.01 0.07 Allowed 'General case' 0 C--N 1.298 -1.663 0 N-CA-C 105.67 -1.974 . . . . 0.79 105.67 -177.596 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.431 ' H ' ' CG ' ' A' ' 39' ' ' ASP . 4.7 t -94.65 -49.69 5.51 Favored 'General case' 0 C--N 1.272 -2.793 0 N-CA-C 107.557 -1.275 . . . . 1.23 107.557 -174.137 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 80.9 mt -86.42 -34.2 20.22 Favored 'General case' 0 C--N 1.292 -1.906 0 CA-C-N 113.722 -1.581 . . . . 1.02 109.972 -173.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.651 ' HB3' HG22 ' A' ' 18' ' ' ILE . 22.1 m -67.7 -25.3 65.61 Favored 'General case' 0 N--CA 1.438 -1.042 0 CA-C-N 115.316 -0.857 . . . . 1.02 109.587 179.211 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.491 ' HB2' ' HE2' ' A' ' 43' ' ' MET . 26.9 tpp -59.94 -47.05 87.38 Favored 'General case' 0 N--CA 1.44 -0.955 0 CA-C-N 115.604 -0.726 . . . . 0.55 110.571 177.692 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 41.5 t -71.11 -26.98 28.21 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-N 115.706 -0.679 . . . . 0.56 110.4 -177.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.533 ' HB2' HG21 ' A' ' 18' ' ' ILE . 54.6 mm-40 -71.29 -39.12 71.69 Favored 'General case' 0 N--CA 1.431 -1.395 0 N-CA-C 109.501 -0.555 . . . . 2.08 109.501 178.078 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 42' ' ' SER . 77.7 t -55.43 -51.47 56.69 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.016 0 N-CA-C 108.785 -0.82 . . . . 0.52 108.785 175.261 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 64.5 t -57.52 -64.47 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.621 0 O-C-N 123.635 0.585 . . . . 0.38 111.159 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 93.7 t -52.58 -50.56 39.81 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.855 0 N-CA-C 112.401 0.519 . . . . 0.58 112.401 -179.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.76 -26.32 66.06 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 117.875 0.307 . . . . 0.42 111.705 -178.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . 0.415 ' O ' ' HD1' ' A' ' 54' ' ' PHE . . . -65.39 -35.86 82.23 Favored 'General case' 0 C--O 1.204 -1.316 0 N-CA-C 108.741 -0.837 . . . . 0.38 108.741 178.038 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . 0.253 48.0 mm-40 -58.04 -27.09 63.27 Favored 'General case' 0 N--CA 1.404 -2.731 0 N-CA-C 116.942 2.201 . . . . 1.36 116.942 175.403 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -82.85 -19.76 36.92 Favored 'General case' 0 C--N 1.306 -1.313 0 CA-C-O 122.085 0.945 . . . . 2.09 109.084 176.205 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 -88.61 -52.61 5.06 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-N 115.271 -0.877 . . . . 2.75 110.438 -178.304 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.632 ' HE2' ' HA ' ' A' ' 7' ' ' ILE . 75.6 m-85 -91.34 -38.41 12.64 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 123.952 0.901 . . . . 0.73 112.801 -172.392 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.2 t70 71.65 26.78 3.05 Favored 'General case' 0 N--CA 1.499 1.99 0 C-N-CA 123.674 0.79 . . . . 2.02 111.694 174.329 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.432 ' HB ' ' HB3' ' A' ' 79' ' ' HIS . 19.8 m -104.65 3.15 10.53 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.024 0 N-CA-C 114.11 1.152 . . . . 1.61 114.11 -171.691 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . 0.259 14.2 mmmm 54.78 86.92 0.05 OUTLIER 'General case' 0 C--N 1.294 -1.813 0 C-N-CA 126.765 2.026 . . . . 1.67 113.572 -177.189 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.808 HG22 HG23 ' A' ' 63' ' ' VAL . 8.4 mt -114.81 101.26 54.37 Favored Pre-proline 0 C--N 1.296 -1.722 0 N-CA-C 106.828 -1.545 . . . . 0.49 106.828 178.796 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.463 ' HD2' ' HB2' ' A' ' 62' ' ' ASP . 56.6 Cg_endo -84.9 156.7 11.61 Favored 'Trans proline' 0 N--CA 1.442 -1.52 0 C-N-CA 121.305 1.337 . . . . 0.62 110.305 175.305 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.651 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 3.8 p30 -43.44 -37.63 2.45 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.442 0.697 . . . . 2.0 112.805 176.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -63.13 -44.15 96.4 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 112.523 0.564 . . . . 2.09 112.523 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.463 ' HB2' ' HD2' ' A' ' 59' ' ' PRO . 0.9 OUTLIER -72.5 -32.48 66.2 Favored 'General case' 0 CA--C 1.49 -1.364 0 CA-C-O 121.61 0.719 . . . . 1.58 109.775 179.052 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.808 HG23 HG22 ' A' ' 58' ' ' ILE . 2.9 t -60.2 -25.56 33.88 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.81 0 CA-C-N 114.248 -1.342 . . . . 0.69 111.432 174.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.651 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 95.1 mttt -76.79 -0.05 22.42 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-O 121.36 0.6 . . . . 2.44 111.878 178.466 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 47.7 m-80 -116.1 10.71 15.08 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 106.972 -1.492 . . . . 1.94 106.972 -179.126 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.65 HD13 ' HA ' ' A' ' 72' ' ' ALA . 53.4 mt -120.33 158.96 25.99 Favored 'General case' 0 N--CA 1.402 -2.874 0 N-CA-C 103.853 -2.647 . . . . 1.67 103.853 175.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.518 ' HD2' ' OD2' ' A' ' 71' ' ' ASP 0.338 0.0 OUTLIER -154.61 -22.55 0.12 Allowed 'General case' 0 C--N 1.285 -2.222 0 N-CA-C 113.93 1.085 . . . . 3.18 113.93 176.757 . . . . . . . . 4 4 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.747 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 77.4 p -113.15 176.28 5.09 Favored 'General case' 0 N--CA 1.432 -1.345 0 C-N-CA 119.22 -0.992 . . . . 0.51 110.974 172.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.729 HG11 HG13 ' A' ' 26' ' ' VAL . 2.4 m -67.87 -27.63 38.49 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.133 0 CA-C-N 114.537 -1.211 . . . . 0.35 109.723 170.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -70.41 -43.1 63.13 Favored Glycine 0 N--CA 1.429 -1.809 0 CA-C-N 115.111 -0.95 . . . . 0.3 110.913 176.079 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.518 ' OD2' ' HD2' ' A' ' 67' ' ' LYS . 18.1 m-20 -61.17 -46.71 89.4 Favored 'General case' 0 CA--C 1.493 -1.231 0 C-N-CA 122.367 0.267 . . . . 1.79 111.131 178.575 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.65 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -54.38 -59.48 4.62 Favored 'General case' 0 C--O 1.222 -0.393 0 N-CA-C 109.173 -0.677 . . . . 0.29 109.173 178.016 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.583 ' HA ' HG21 ' A' ' 7' ' ' ILE . 90.0 m -48.86 -48.55 41.88 Favored 'General case' 0 C--O 1.207 -1.14 0 C-N-CA 124.122 0.969 . . . . 0.31 113.15 173.69 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -58.57 -37.27 75.39 Favored 'General case' 0 C--N 1.314 -0.958 0 C-N-CA 123.154 0.581 . . . . 2.93 111.187 -179.223 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.52 ' HB2' HD21 ' A' ' 66' ' ' LEU . 89.9 t80 -74.9 -44.08 50.76 Favored 'General case' 0 N--CA 1.44 -0.927 0 N-CA-C 108.855 -0.795 . . . . 0.53 108.855 179.435 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.484 HG21 ' CD2' ' A' ' 54' ' ' PHE . 88.7 mt -63.75 -46.1 95.45 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.626 0 CA-C-N 115.212 -0.904 . . . . 0.27 110.648 -179.677 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.52 ' HA ' HE21 ' A' ' 80' ' ' GLN . 17.9 tp -61.96 -29.37 70.19 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-O 121.617 0.722 . . . . 1.15 110.818 178.668 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -79.79 -43.07 23.15 Favored 'General case' 0 C--N 1.293 -1.883 0 CA-C-N 115.363 -0.835 . . . . 0.67 110.173 -178.268 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . 0.432 ' HB3' ' HB ' ' A' ' 56' ' ' VAL . 0.1 OUTLIER -71.65 -52.18 19.3 Favored 'General case' 0 C--N 1.297 -1.708 0 CA-C-N 114.537 -1.21 . . . . 1.53 111.849 179.503 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.52 HE21 ' HA ' ' A' ' 77' ' ' LEU . 63.1 mm-40 30.6 112.01 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 118.769 2.877 . . . . 0.89 118.769 179.396 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.407 -2.577 0 N-CA-C 106.74 -1.578 . . . . 2.36 106.74 176.087 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.547 ' O ' HG13 ' A' ' 7' ' ' ILE . 63.6 p . . . . . 0 N--CA 1.432 -1.333 0 N-CA-C 107.939 -1.134 . . . . 1.05 107.939 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.427 ' HA ' HD12 ' A' ' 7' ' ' ILE . 25.6 mt-30 -51.65 -31.82 27.07 Favored 'General case' 0 N--CA 1.483 1.208 0 N-CA-C 112.31 0.485 . . . . 1.25 112.31 -174.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 19.9 mp0 -70.71 -37.34 73.55 Favored 'General case' 0 C--N 1.308 -1.222 0 CA-C-N 115.572 -0.74 . . . . 2.3 109.542 -176.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -70.39 -33.64 71.64 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 121.541 0.686 . . . . 1.92 109.402 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.547 HG13 ' O ' ' A' ' 3' ' ' THR . 29.3 mt -66.47 -55.9 16.57 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.131 0 CA-C-N 114.629 -1.168 . . . . 0.29 108.1 177.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.444 HG21 HD11 ' A' ' 28' ' ' LEU . 53.4 t -55.65 -39.46 55.03 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.712 0 CA-C-N 115.859 -0.609 . . . . 0.32 111.4 177.096 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.86 -37.97 86.5 Favored 'General case' 0 C--O 1.242 0.69 0 C-N-CA 122.824 0.45 . . . . 0.32 110.889 177.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.32 -43.78 87.21 Favored Glycine 0 CA--C 1.496 -1.112 0 N-CA-C 110.533 -1.027 . . . . 0.31 110.533 177.047 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.47 ' O ' HG23 ' A' ' 15' ' ' VAL . 96.4 mt -59.42 -50.46 73.88 Favored 'General case' 0 C--N 1.314 -0.939 0 N-CA-C 109.637 -0.505 . . . . 0.29 109.637 177.159 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.44 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -53.7 -43.7 69.18 Favored 'General case' 0 C--N 1.316 -0.888 0 C-N-CA 124.733 1.213 . . . . 0.24 112.476 -178.581 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -67.31 -42.96 82.82 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 119.732 -0.787 . . . . 1.46 112.099 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 93.9 mt -60.93 -49.23 85.52 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.98 0 CA-C-O 121.374 0.607 . . . . 0.41 109.666 176.293 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 11' ' ' LEU . 91.1 t -58.9 -46.61 91.2 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.387 0 CA-C-N 115.427 -0.806 . . . . 0.29 110.268 178.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -64.79 -31.98 73.46 Favored 'General case' 0 C--N 1.297 -1.692 0 O-C-N 122.002 -0.436 . . . . 0.64 111.67 -179.315 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -72.16 -51.63 20.4 Favored 'General case' 0 C--N 1.304 -1.375 0 CA-C-N 115.822 -0.626 . . . . 2.0 111.067 179.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.698 HG21 ' HB2' ' A' ' 45' ' ' GLU . 75.9 mt -88.9 -54.22 8.16 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 CA-C-O 121.45 0.643 . . . . 0.28 111.913 -174.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.608 ' HB1' HG21 ' A' ' 38' ' ' VAL . . . -76.59 -40.32 49.88 Favored 'General case' 0 C--N 1.307 -1.266 0 CA-C-N 115.496 -0.775 . . . . 0.34 109.775 -176.783 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.78 21.42 39.88 Favored Glycine 0 C--O 1.214 -1.116 0 CA-C-N 115.613 -0.722 . . . . 0.46 111.432 -179.241 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . 0.525 HG21 HD22 ' A' ' 36' ' ' LEU . 48.8 mm -96.06 130.95 29.88 Favored Pre-proline 0 C--N 1.307 -1.253 0 N-CA-C 109.212 -0.662 . . . . 0.42 109.212 -178.412 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.497 ' HD2' ' HA ' ' A' ' 21' ' ' ILE . 12.9 Cg_exo -31.39 125.51 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 1 C-N-CA 125.866 4.377 . . . . 0.41 114.926 174.939 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.44 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 89.2 t -59.55 -32.69 49.6 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-N 113.943 -1.481 . . . . 0.69 108.788 179.112 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -89.74 -14.38 34.76 Favored 'General case' 0 N--CA 1.425 -1.691 0 N-CA-C 113.378 0.881 . . . . 2.34 113.378 -177.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.474 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 10.3 t70 -86.39 -19.09 30.23 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-O 122.271 1.034 . . . . 0.69 108.474 -179.016 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.729 HG13 HG11 ' A' ' 69' ' ' VAL . 32.3 t -72.5 86.09 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.915 0 CA-C-N 113.905 -1.498 . . . . 0.4 108.322 172.227 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -96.02 -122.11 0.11 Allowed 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 113.846 -1.524 . . . . 1.67 109.322 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.642 ' HA ' HG23 ' A' ' 69' ' ' VAL . 8.2 mp -129.11 -31.22 2.13 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 113.459 0.911 . . . . 1.08 113.459 176.652 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -82.49 -6.95 59.62 Favored 'General case' 0 N--CA 1.484 1.274 0 CA-C-O 122.795 1.283 . . . . 2.11 109.378 -177.293 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.632 ' O ' HG22 ' A' ' 69' ' ' VAL . 39.5 mmtm -78.05 105.16 9.08 Favored 'General case' 0 C--N 1.295 -1.783 0 CA-C-N 113.902 -1.499 . . . . 1.02 112.42 -174.569 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.591 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 17.7 m -72.15 115.67 11.65 Favored 'General case' 0 N--CA 1.398 -3.037 0 N-CA-C 107.372 -1.344 . . . . 1.16 107.372 170.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.8 ' HA ' HD12 ' A' ' 36' ' ' LEU . 96.6 m-85 -35.18 -84.5 0.0 OUTLIER 'General case' 0 C--N 1.312 -1.061 0 N-CA-C 114.149 1.166 . . . . 0.36 114.149 176.537 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' THR . . . . . 0.554 HG23 ' HE3' ' A' ' 43' ' ' MET . 0.0 OUTLIER -83.34 45.54 1.05 Allowed 'General case' 0 C--N 1.295 -1.801 0 N-CA-C 113.831 1.049 . . . . 0.47 113.831 -179.824 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.591 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 7.1 t70 -153.99 -63.65 0.14 Allowed 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.926 -0.579 . . . . 0.73 110.491 179.208 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.538 ' OD2' ' HD3' ' A' ' 30' ' ' LYS . 6.8 t70 -88.83 -43.95 10.85 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.331 -0.618 . . . . 1.46 109.331 -174.765 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.8 HD12 ' HA ' ' A' ' 32' ' ' PHE . 96.1 mt -71.06 -54.39 11.34 Favored 'General case' 0 CA--C 1.511 -0.529 0 N-CA-C 106.555 -1.646 . . . . 0.58 106.555 172.707 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.8 t70 72.93 86.07 0.11 Allowed 'General case' 0 CA--C 1.509 -0.607 0 CA-C-N 113.956 -1.474 . . . . 1.14 112.16 173.682 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.662 HG13 ' H ' ' A' ' 39' ' ' ASP . 3.2 p -112.3 -89.95 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.433 -1.324 0 N-CA-C 113.818 1.044 . . . . 1.79 113.818 176.695 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.662 ' H ' HG13 ' A' ' 38' ' ' VAL . 10.7 t70 -159.34 172.75 17.41 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 108.786 -0.82 . . . . 0.79 108.786 -174.267 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 27.4 t -84.39 -53.82 5.19 Favored 'General case' 0 C--N 1.28 -2.442 0 C-N-CA 125.177 1.391 . . . . 1.23 111.037 -172.239 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.402 ' O ' ' HG2' ' A' ' 45' ' ' GLU . 48.9 mt -73.65 -28.12 61.61 Favored 'General case' 0 CA--C 1.492 -1.273 0 C-N-CA 120.425 -0.51 . . . . 1.02 109.843 -173.817 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.565 ' O ' HG23 ' A' ' 46' ' ' VAL . 17.1 m -68.9 -28.17 66.44 Favored 'General case' 0 N--CA 1.424 -1.745 0 CA-C-N 115.015 -0.993 . . . . 1.02 108.969 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.554 ' HE3' HG23 ' A' ' 33' ' ' THR . 23.9 tpp -71.01 -40.64 71.67 Favored 'General case' 0 N--CA 1.429 -1.508 0 CA-C-N 115.661 -0.699 . . . . 0.55 110.473 -177.526 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.42 ' O ' HG23 ' A' ' 48' ' ' VAL . 45.0 t -68.31 -37.1 77.46 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.981 0 N-CA-C 109.074 -0.713 . . . . 0.56 109.074 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.698 ' HB2' HG21 ' A' ' 18' ' ' ILE . 70.3 mm-40 -64.7 -36.55 84.65 Favored 'General case' 0 N--CA 1.44 -0.948 0 CA-C-N 116.265 -0.425 . . . . 2.08 110.178 177.563 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 42' ' ' SER . 75.6 t -60.6 -48.49 88.37 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.623 0 N-CA-C 109.201 -0.666 . . . . 0.52 109.201 176.413 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 43' ' ' MET . 63.3 t -50.45 -63.46 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 O-C-N 123.935 0.772 . . . . 0.38 109.315 176.475 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 44' ' ' VAL . 57.3 t -47.77 -54.04 4.11 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.049 0 CA-C-N 115.216 -0.902 . . . . 0.58 111.569 178.133 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.92 -35.45 80.72 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.628 0.603 . . . . 0.42 112.628 -177.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.04 -39.84 93.72 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.817 0.342 . . . . 0.38 110.627 179.451 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.662 ' HG2' ' H ' ' A' ' 58' ' ' ILE . 40.8 mt-10 -61.38 -36.5 80.44 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 122.025 0.917 . . . . 1.36 110.425 178.752 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -77.75 -38.32 47.24 Favored 'General case' 0 C--N 1.305 -1.365 0 CA-C-N 114.665 -1.152 . . . . 2.09 110.651 -178.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 32.4 tpt180 -80.79 -38.27 28.75 Favored 'General case' 0 C--N 1.312 -1.039 0 N-CA-C 112.428 0.529 . . . . 2.75 112.428 -173.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.513 ' CD2' HG21 ' A' ' 76' ' ' ILE . 33.1 m-85 -98.85 -7.25 27.64 Favored 'General case' 0 C--N 1.307 -1.267 0 N-CA-C 112.343 0.498 . . . . 0.73 112.343 -175.206 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 67.5 15.63 9.85 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 123.911 0.884 . . . . 2.02 112.32 -178.368 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.568 ' O ' ' HA ' ' A' ' 51' ' ' GLU . 6.9 p -118.87 120.69 64.83 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.428 0 N-CA-C 109.088 -0.708 . . . . 1.61 109.088 179.098 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.427 ' HD2' ' HB3' ' A' ' 51' ' ' GLU . 3.5 mmmp? -74.21 97.92 3.07 Favored 'General case' 0 C--N 1.291 -1.947 0 CA-C-N 115.008 -0.996 . . . . 1.67 110.488 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.662 ' H ' ' HG2' ' A' ' 51' ' ' GLU . 17.7 mt -98.26 98.51 5.8 Favored Pre-proline 0 C--N 1.296 -1.754 0 N-CA-C 105.831 -1.914 . . . . 0.49 105.831 173.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -68.0 141.16 52.29 Favored 'Trans proline' 0 N--CA 1.444 -1.407 0 C-N-CA 121.618 1.545 . . . . 0.62 112.942 -173.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.513 ' O ' HG12 ' A' ' 63' ' ' VAL . 1.1 m-20 -41.13 -35.33 0.56 Allowed 'General case' 0 C--O 1.211 -0.97 0 C-N-CA 126.754 2.022 . . . . 2.0 112.824 176.771 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -75.11 -42.75 55.79 Favored 'General case' 0 C--N 1.307 -1.266 0 N-CA-C 111.978 0.362 . . . . 2.09 111.978 179.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -87.03 -22.69 25.32 Favored 'General case' 0 CA--C 1.508 -0.639 0 CA-C-O 121.224 0.535 . . . . 1.58 110.677 -174.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.513 HG12 ' O ' ' A' ' 60' ' ' ASP . 4.0 p -63.58 -23.23 32.8 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.024 0 CA-C-N 115.423 -0.808 . . . . 0.69 109.907 -179.79 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.44 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 90.0 mttt -72.1 -6.26 41.22 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 115.431 -0.804 . . . . 2.44 111.322 -179.121 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 49.1 m-80 -88.59 -22.36 23.55 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.526 -0.546 . . . . 1.94 109.526 176.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.859 HD13 ' HA ' ' A' ' 72' ' ' ALA . 60.2 mt -68.2 -68.33 0.4 Allowed 'General case' 0 C--O 1.239 0.546 0 O-C-N 123.322 0.389 . . . . 1.67 110.355 -175.217 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 29.0 mmtp 75.59 -44.92 0.53 Allowed 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.339 1.056 . . . . 3.18 113.491 177.172 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.415 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 29.8 p -111.97 156.94 21.32 Favored 'General case' 0 N--CA 1.392 -3.359 0 CA-C-O 121.587 0.708 . . . . 0.51 112.316 -175.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.729 HG11 HG13 ' A' ' 26' ' ' VAL . 2.9 m -62.37 -27.86 43.5 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.861 0 CA-C-N 114.174 -1.376 . . . . 0.35 111.568 175.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -77.81 -38.54 27.04 Favored Glycine 0 N--CA 1.434 -1.437 0 C-N-CA 120.862 -0.685 . . . . 0.3 111.855 177.621 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.477 ' OD1' ' HA ' ' A' ' 66' ' ' LEU . 8.4 t70 -76.99 -30.19 55.82 Favored 'General case' 0 CA--C 1.512 -0.505 0 N-CA-C 109.529 -0.545 . . . . 1.79 109.529 -177.661 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.859 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -56.82 -56.49 20.87 Favored 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 107.997 -1.112 . . . . 0.29 107.997 173.405 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.516 ' HA ' HG21 ' A' ' 7' ' ' ILE . 86.5 m -48.39 -53.99 15.64 Favored 'General case' 0 C--O 1.176 -2.768 0 CA-C-N 115.173 -0.921 . . . . 0.31 111.228 169.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 58.5 tptt -48.85 -35.15 13.96 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.637 0.775 . . . . 2.93 112.206 178.341 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.407 ' CE1' HG12 ' A' ' 58' ' ' ILE . 36.4 t80 -72.75 -55.51 6.64 Favored 'General case' 0 C--O 1.212 -0.889 0 N-CA-C 108.112 -1.07 . . . . 0.53 108.112 178.572 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.531 HG22 ' NE2' ' A' ' 80' ' ' GLN . 68.0 mt -59.94 -50.15 81.23 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.65 0 C-N-CA 124.69 1.196 . . . . 0.27 111.131 -178.002 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 58.3 tp -48.45 -36.65 15.37 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.4 1.48 . . . . 1.15 110.894 178.459 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -88.31 -52.44 5.21 Favored 'General case' 0 C--N 1.3 -1.557 0 CA-C-N 115.134 -0.939 . . . . 0.67 111.025 -179.456 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 28.9 m-70 -78.8 5.92 10.24 Favored 'General case' 0 C--N 1.306 -1.295 0 C-N-CA 125.689 1.596 . . . . 1.53 114.298 -173.037 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLN . . . . . 0.531 ' NE2' HG22 ' A' ' 76' ' ' ILE . 77.8 mm-40 -31.98 112.06 0.1 Allowed 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 115.599 1.703 . . . . 0.89 115.599 -179.618 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.198 0 C-N-CA 126.628 1.971 . . . . 2.36 114.554 173.124 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.456 ' HA ' ' HG3' ' A' ' 80' ' ' GLN . . . . . . . . 0 CA--C 1.506 -0.734 0 N-CA-C 109.093 -0.706 . . . . 2.05 109.093 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -127.63 174.31 9.18 Favored 'General case' 0 N--CA 1.43 -1.44 0 N-CA-C 108.196 -1.039 . . . . 1.02 108.196 178.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.642 ' O ' HG13 ' A' ' 7' ' ' ILE . 0.5 OUTLIER -83.26 122.75 28.83 Favored 'General case' 0 C--N 1.283 -2.308 0 N-CA-C 107.556 -1.275 . . . . 1.05 107.556 -178.139 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -52.85 -41.1 63.95 Favored 'General case' 0 N--CA 1.489 1.518 0 CA-C-O 121.596 0.713 . . . . 1.25 111.545 -173.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -72.01 -27.83 62.99 Favored 'General case' 0 C--N 1.296 -1.728 0 CA-C-N 114.872 -1.058 . . . . 2.3 110.399 -176.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.514 ' HB3' ' O ' ' A' ' 3' ' ' THR . 40.9 tt0 -75.03 -36.03 61.91 Favored 'General case' 0 C--N 1.305 -1.359 0 N-CA-C 108.201 -1.037 . . . . 1.92 108.201 177.605 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.642 HG13 ' O ' ' A' ' 3' ' ' THR . 29.8 mt -64.07 -56.48 16.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 107.73 -1.211 . . . . 0.29 107.73 176.129 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.608 ' HA ' HD12 ' A' ' 11' ' ' LEU . 93.7 t -53.75 -40.85 45.12 Favored 'Isoleucine or valine' 0 CA--C 1.551 0.993 0 CA-C-N 115.481 -0.781 . . . . 0.32 110.795 176.485 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.93 -32.01 72.97 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.958 0.409 . . . . 0.32 111.194 177.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.38 -37.45 90.4 Favored Glycine 0 C--O 1.215 -1.078 0 N-CA-C 110.451 -1.06 . . . . 0.31 110.451 176.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.608 HD12 ' HA ' ' A' ' 8' ' ' VAL . 63.8 mt -65.87 -50.38 64.72 Favored 'General case' 0 C--N 1.31 -1.137 0 N-CA-C 108.278 -1.008 . . . . 0.29 108.278 175.426 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.481 ' HA ' HG21 ' A' ' 26' ' ' VAL . . . -51.93 -45.94 64.5 Favored 'General case' 0 C--N 1.318 -0.786 0 C-N-CA 125.108 1.363 . . . . 0.24 113.091 -178.247 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -66.34 -26.2 67.18 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 113.065 0.765 . . . . 1.46 113.065 -177.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.485 HD11 ' HG2' ' A' ' 53' ' ' ARG . 85.7 mt -85.78 -42.47 16.05 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.754 0 N-CA-C 108.84 -0.8 . . . . 0.41 108.84 179.205 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.406 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 78.3 t -62.07 -40.62 88.09 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.996 0 CA-C-N 115.466 -0.788 . . . . 0.29 110.937 178.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.524 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 5.8 t-20 -61.51 -33.33 73.62 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 121.02 0.438 . . . . 0.64 110.542 179.492 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -79.84 -61.99 1.82 Allowed 'General case' 0 C--N 1.305 -1.33 0 CA-C-N 115.099 -0.955 . . . . 2.0 110.795 -177.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.556 HG21 ' HB2' ' A' ' 45' ' ' GLU . 87.6 mt -76.98 -52.73 16.22 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.043 0 CA-C-N 115.304 -0.862 . . . . 0.28 112.922 -172.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.576 ' HB2' HG13 ' A' ' 38' ' ' VAL . . . -74.05 -42.11 60.73 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-O 121.529 0.68 . . . . 0.34 109.334 -179.441 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 92.27 28.18 13.83 Favored Glycine 0 N--CA 1.436 -1.345 0 CA-C-N 114.828 -1.078 . . . . 0.46 110.747 -177.57 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.524 ' O ' ' HA ' ' A' ' 16' ' ' ASN . 49.5 mm -111.69 131.24 22.47 Favored Pre-proline 0 C--N 1.311 -1.066 0 N-CA-C 108.316 -0.994 . . . . 0.42 108.316 -179.175 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.465 ' HD2' ' HA ' ' A' ' 21' ' ' ILE . 4.5 Cg_exo -33.11 129.72 0.12 Allowed 'Trans proline' 0 C--N 1.356 0.967 1 C-N-CA 125.601 4.201 . . . . 0.41 115.486 176.874 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 66.3 t -56.19 -39.05 57.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 N-CA-C 107.174 -1.417 . . . . 0.69 107.174 176.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.524 ' O ' ' HE3' ' A' ' 27' ' ' LYS . 29.6 mm-40 -78.17 -19.95 52.92 Favored 'General case' 0 N--CA 1.412 -2.367 0 CA-C-N 113.118 -1.855 . . . . 2.34 113.224 -173.733 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.406 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 25.1 t0 -91.4 -0.52 57.65 Favored 'General case' 0 CA--C 1.511 -0.54 0 CA-C-O 122.652 1.215 . . . . 0.69 109.445 -179.641 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.633 HG13 HG11 ' A' ' 69' ' ' VAL . 41.3 t -80.75 80.64 1.2 Allowed 'Isoleucine or valine' 0 N--CA 1.42 -1.935 0 CA-C-O 123.156 1.455 . . . . 0.4 107.493 172.716 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.524 ' HE3' ' O ' ' A' ' 24' ' ' GLU . 26.1 mmtp -81.56 -146.01 0.06 Allowed 'General case' 0 C--N 1.308 -1.199 0 CA-C-N 111.806 -2.452 . . . . 1.67 107.942 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.459 ' HA ' HG23 ' A' ' 69' ' ' VAL . 4.9 tt -122.2 -17.35 7.19 Favored 'General case' 0 C--N 1.304 -1.376 0 C-N-CA 119.275 -0.97 . . . . 1.08 111.523 -179.529 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -87.64 -11.77 47.47 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-O 122.288 1.042 . . . . 2.11 109.625 176.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.671 ' O ' HG22 ' A' ' 69' ' ' VAL . 70.8 mmtt -70.21 114.14 8.06 Favored 'General case' 0 C--N 1.3 -1.568 0 CA-C-N 114.582 -1.19 . . . . 1.02 113.465 -172.194 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.642 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 5.2 p -81.51 109.62 16.14 Favored 'General case' 0 N--CA 1.392 -3.358 0 N-CA-C 107.606 -1.257 . . . . 1.16 107.606 171.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.678 ' HA ' HD12 ' A' ' 36' ' ' LEU . 64.9 m-85 -29.81 -86.57 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.314 0 N-CA-C 114.154 1.168 . . . . 0.36 114.154 176.64 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.498 HG23 ' HB ' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -76.63 40.78 0.24 Allowed 'General case' 0 C--N 1.301 -1.519 0 N-CA-C 114.326 1.232 . . . . 0.47 114.326 178.295 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -150.43 -68.22 0.19 Allowed 'General case' 0 C--N 1.316 -0.882 0 O-C-N 121.764 -0.585 . . . . 0.73 112.461 179.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -80.32 -44.1 20.09 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 108.917 -0.771 . . . . 1.46 108.917 -178.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.678 HD12 ' HA ' ' A' ' 32' ' ' PHE . 95.8 mt -72.07 -46.85 55.3 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 108.638 -0.875 . . . . 0.58 108.638 177.416 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.5 t70 74.35 85.67 0.1 Allowed 'General case' 0 CA--C 1.516 -0.358 0 C-N-CA 125.414 1.486 . . . . 1.14 110.924 178.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.576 HG13 ' HB2' ' A' ' 19' ' ' ALA . 89.1 t -87.72 -90.03 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.305 -1.345 0 CA-C-N 113.97 -1.468 . . . . 1.79 109.997 -176.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.484 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 16.5 t70 170.91 167.64 0.07 Allowed 'General case' 0 CA--C 1.49 -1.346 0 N-CA-C 103.121 -2.918 . . . . 0.79 103.121 -177.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 31.5 t -87.69 -39.78 14.7 Favored 'General case' 0 C--N 1.253 -3.608 0 CA-C-O 121.941 0.877 . . . . 1.23 108.683 -173.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 28.1 mt -87.03 -30.94 20.82 Favored 'General case' 0 C--N 1.297 -1.695 0 CA-C-N 114.963 -1.017 . . . . 1.02 109.953 -173.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.495 ' HB3' HG22 ' A' ' 18' ' ' ILE . 31.5 m -72.1 -24.62 61.52 Favored 'General case' 0 N--CA 1.442 -0.837 0 CA-C-O 121.426 0.631 . . . . 1.02 109.537 177.282 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.545 ' HE3' ' HB3' ' A' ' 32' ' ' PHE . 32.5 tpp -59.0 -44.18 91.61 Favored 'General case' 0 N--CA 1.444 -0.755 0 CA-C-N 115.557 -0.747 . . . . 0.55 111.225 179.302 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 39.6 t -66.01 -23.54 32.3 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 CA-C-N 115.612 -0.722 . . . . 0.56 111.218 -176.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.556 ' HB2' HG21 ' A' ' 18' ' ' ILE . 37.8 mt-10 -74.95 -35.44 62.14 Favored 'General case' 0 N--CA 1.439 -1.0 0 N-CA-C 109.195 -0.668 . . . . 2.08 109.195 178.322 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 62.6 t -63.12 -47.27 93.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 108.245 -1.021 . . . . 0.52 108.245 177.03 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.599 HG21 HG11 ' A' ' 63' ' ' VAL . 31.9 t -58.36 -57.77 9.45 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-N 115.335 -0.848 . . . . 0.38 110.735 179.022 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.547 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 2.1 p -56.0 -41.11 66.86 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 CA-C-O 121.571 0.7 . . . . 0.58 111.626 -177.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.39 -35.18 73.32 Favored 'General case' 0 C--N 1.31 -1.131 0 CA-C-N 115.503 -0.771 . . . . 0.42 111.167 178.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -60.2 -34.12 73.18 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 122.88 0.472 . . . . 0.38 111.279 -179.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.573 ' HG2' ' H ' ' A' ' 58' ' ' ILE . 39.2 mt-10 -56.26 -42.62 77.71 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.433 0.635 . . . . 1.36 110.653 179.381 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -83.35 -35.88 24.82 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-N 116.022 -0.535 . . . . 2.09 111.398 178.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.485 ' HG2' HD11 ' A' ' 14' ' ' ILE . 6.8 tpm_? -67.1 -37.43 83.92 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.788 -0.642 . . . . 2.75 111.378 -174.054 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.503 ' CD2' HG21 ' A' ' 76' ' ' ILE . 69.3 m-85 -101.73 -11.85 18.81 Favored 'General case' 0 C--N 1.291 -1.97 0 CA-C-N 115.382 -0.826 . . . . 0.73 111.47 -176.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 59.82 70.41 0.64 Allowed 'General case' 0 CA--C 1.505 -0.771 0 CA-C-O 121.774 0.797 . . . . 2.02 110.019 -173.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.439 HG12 ' HB2' ' A' ' 54' ' ' PHE . 14.9 p -160.48 178.74 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.296 -1.748 0 N-CA-C 106.066 -1.827 . . . . 1.61 106.066 -177.132 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.42 ' HD2' ' HA ' ' A' ' 57' ' ' LYS . 45.6 tptt -129.93 99.35 5.07 Favored 'General case' 0 C--N 1.292 -1.925 0 CA-C-N 119.22 0.918 . . . . 1.67 108.761 179.036 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.573 ' H ' ' HG2' ' A' ' 51' ' ' GLU . 19.8 mt -112.5 104.53 55.99 Favored Pre-proline 0 C--N 1.313 -0.995 0 N-CA-C 107.76 -1.2 . . . . 0.49 107.76 -179.158 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -78.41 144.47 20.35 Favored 'Trans proline' 0 N--CA 1.44 -1.676 0 C-N-CA 121.702 1.602 . . . . 0.62 112.005 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.523 ' HA ' ' CG1' ' A' ' 63' ' ' VAL . 7.0 t70 -53.1 -29.73 32.29 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.614 0.766 . . . . 2.0 111.705 176.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -50.98 -59.03 4.59 Favored 'General case' 0 C--N 1.308 -1.221 0 CA-C-N 115.246 -0.888 . . . . 2.09 111.468 176.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -87.52 -23.03 24.53 Favored 'General case' 0 C--N 1.316 -0.891 0 N-CA-C 112.742 0.645 . . . . 1.58 112.742 -176.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.599 HG11 HG21 ' A' ' 47' ' ' VAL . 2.0 p -57.72 -23.19 19.82 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.503 0 CA-C-O 121.228 0.537 . . . . 0.69 111.607 -176.148 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.515 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 58.7 mttm -66.33 -12.97 59.72 Favored 'General case' 0 N--CA 1.442 -0.85 0 CA-C-N 115.655 -0.702 . . . . 2.44 111.431 -178.3 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -96.86 -5.86 37.24 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.199 -0.455 . . . . 1.94 110.954 -179.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.693 HD13 ' HA ' ' A' ' 72' ' ' ALA . 87.2 mt -75.17 -52.1 11.78 Favored 'General case' 0 C--O 1.214 -0.814 0 C-N-CA 120.726 -0.39 . . . . 1.67 110.373 -179.437 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . 0.446 0.1 OUTLIER 59.02 -28.57 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 117.865 2.542 . . . . 3.18 117.865 176.13 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.642 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 75.4 p -125.78 171.11 10.93 Favored 'General case' 0 C--N 1.297 -1.701 0 O-C-N 121.513 -0.742 . . . . 0.51 110.813 176.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.671 HG22 ' O ' ' A' ' 30' ' ' LYS . 3.3 m -69.03 -40.79 81.24 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.71 0 CA-C-N 114.597 -1.183 . . . . 0.35 110.136 173.09 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -66.42 -41.0 94.63 Favored Glycine 0 N--CA 1.44 -1.088 0 CA-C-N 115.997 -0.547 . . . . 0.3 112.438 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.432 ' HB2' ' O ' ' A' ' 66' ' ' LEU . 33.1 m-20 -78.44 -26.05 46.14 Favored 'General case' 0 C--N 1.309 -1.166 0 C-N-CA 120.242 -0.583 . . . . 1.79 111.64 179.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.693 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -62.53 -53.14 59.16 Favored 'General case' 0 CA--C 1.515 -0.381 0 N-CA-C 108.154 -1.054 . . . . 0.29 108.154 172.505 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.417 ' HA ' HG21 ' A' ' 7' ' ' ILE . 88.2 m -48.71 -45.43 39.34 Favored 'General case' 0 C--O 1.192 -1.942 0 CA-C-N 115.021 -0.991 . . . . 0.31 111.489 172.323 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -52.03 -39.43 59.53 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 118.248 0.476 . . . . 2.93 112.06 177.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.475 ' HB2' HD21 ' A' ' 66' ' ' LEU . 49.5 t80 -72.15 -52.63 15.72 Favored 'General case' 0 C--O 1.195 -1.802 0 N-CA-C 107.974 -1.121 . . . . 0.53 107.974 -178.068 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.528 HG12 HD11 ' A' ' 58' ' ' ILE . 58.7 mt -62.31 -51.02 77.42 Favored 'Isoleucine or valine' 0 C--O 1.197 -1.683 0 C-N-CA 124.102 0.961 . . . . 0.27 110.866 -177.148 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.506 ' HA ' HE21 ' A' ' 80' ' ' GLN . 61.0 tp -54.7 -35.24 63.4 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 122.963 0.505 . . . . 1.15 111.308 -179.586 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -89.32 -32.38 17.37 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-O 121.603 0.716 . . . . 0.67 111.631 -178.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 25.1 m-70 -93.63 5.24 52.28 Favored 'General case' 0 C--N 1.314 -0.943 0 C-N-CA 124.209 1.003 . . . . 1.53 113.125 -176.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.506 HE21 ' HA ' ' A' ' 77' ' ' LEU . 84.9 mm-40 -41.69 134.4 2.49 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 124.35 1.06 . . . . 0.89 111.337 175.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.526 0 N-CA-C 109.506 -0.553 . . . . 2.36 109.506 -178.734 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' SHW . . . . . 0.515 ' S1 ' ' HG2' ' A' ' 64' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.428 ' HA ' ' HG3' ' A' ' 80' ' ' GLN . . . . . . . . 0 CA--C 1.508 -0.671 0 N-CA-C 108.796 -0.816 . . . . 2.05 108.796 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -116.95 173.88 6.41 Favored 'General case' 0 C--N 1.308 -1.207 0 N-CA-C 108.286 -1.005 . . . . 1.02 108.286 178.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.506 ' O ' HG13 ' A' ' 7' ' ' ILE . 1.3 p -77.61 122.26 25.06 Favored 'General case' 0 N--CA 1.414 -2.24 0 N-CA-C 107.397 -1.334 . . . . 1.05 107.397 175.751 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.512 ' HA ' HD12 ' A' ' 7' ' ' ILE . 24.7 mt-30 -54.46 -29.35 49.49 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-O 121.854 0.835 . . . . 1.25 110.354 -177.599 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.417 ' CD ' ' H ' ' A' ' 5' ' ' GLU . 2.3 mp0 -65.14 -41.09 95.1 Favored 'General case' 0 C--N 1.305 -1.354 0 CA-C-N 114.223 -1.353 . . . . 2.3 109.817 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 15.1 tp10 -71.6 -30.89 66.32 Favored 'General case' 0 C--O 1.216 -0.683 0 N-CA-C 108.934 -0.765 . . . . 1.92 108.934 -178.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.544 ' HB ' HG23 ' A' ' 73' ' ' THR . 31.2 mt -68.6 -57.48 8.8 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.639 0 N-CA-C 108.236 -1.024 . . . . 0.29 108.236 178.643 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.734 HG21 HD11 ' A' ' 28' ' ' LEU . 54.4 t -56.56 -42.35 75.66 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.028 0 CA-C-N 116.085 -0.507 . . . . 0.32 111.363 176.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.64 -34.03 76.96 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 120.879 0.371 . . . . 0.32 110.578 177.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.78 -42.67 92.95 Favored Glycine 0 CA--C 1.492 -1.368 0 N-CA-C 110.054 -1.218 . . . . 0.31 110.054 176.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.554 ' O ' HG23 ' A' ' 15' ' ' VAL . 96.2 mt -60.29 -49.33 78.01 Favored 'General case' 0 C--N 1.309 -1.173 0 N-CA-C 109.226 -0.657 . . . . 0.29 109.226 174.68 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.445 ' HA ' HG21 ' A' ' 26' ' ' VAL . . . -52.42 -48.42 65.76 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 124.042 0.937 . . . . 0.24 111.975 -179.608 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -62.5 -39.0 92.11 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.842 0.354 . . . . 1.46 111.85 -178.291 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.596 HG22 HG23 ' A' ' 46' ' ' VAL . 95.2 mt -65.39 -50.67 71.45 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.17 0 CA-C-N 115.546 -0.752 . . . . 0.41 109.534 177.069 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 11' ' ' LEU . 86.7 t -55.91 -49.82 72.76 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.883 0 CA-C-N 116.032 -0.531 . . . . 0.29 110.148 179.283 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.499 ' HB2' ' HB ' ' A' ' 23' ' ' VAL . 2.9 t-20 -61.11 -31.23 70.93 Favored 'General case' 0 C--N 1.304 -1.403 0 CA-C-O 121.339 0.59 . . . . 0.64 110.892 -177.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -83.5 -42.91 16.34 Favored 'General case' 0 CA--C 1.557 1.249 0 CA-C-N 115.56 -0.746 . . . . 2.0 112.442 -177.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.425 HG21 ' HB2' ' A' ' 45' ' ' GLU . 91.1 mt -94.35 -53.33 8.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 CA-C-O 121.3 0.571 . . . . 0.28 111.43 -177.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.566 ' HA ' HG21 ' A' ' 38' ' ' VAL . . . -75.06 -34.22 61.79 Favored 'General case' 0 C--N 1.306 -1.303 0 CA-C-O 121.357 0.599 . . . . 0.34 110.257 -176.651 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.74 8.81 83.95 Favored Glycine 0 N--CA 1.448 -0.501 0 N-CA-C 111.139 -0.784 . . . . 0.46 111.139 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.506 HG21 ' HB3' ' A' ' 36' ' ' LEU . 48.3 mm -85.86 138.78 35.1 Favored Pre-proline 0 C--N 1.306 -1.315 0 N-CA-C 108.176 -1.046 . . . . 0.42 108.176 -179.235 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.43 ' HB2' ' HB2' ' A' ' 25' ' ' ASP . 7.6 Cg_exo -33.07 119.78 0.1 Allowed 'Trans proline' 0 C--N 1.359 1.104 0 C-N-CA 125.173 3.915 . . . . 0.41 114.083 174.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.499 ' HB ' ' HB2' ' A' ' 16' ' ' ASN . 12.4 p -68.47 -13.41 17.07 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-O 123.074 1.416 . . . . 0.69 109.802 -178.505 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -97.76 -18.04 19.03 Favored 'General case' 0 C--N 1.28 -2.445 0 CA-C-N 113.163 -1.835 . . . . 2.34 110.932 -177.084 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.618 ' O ' ' HE3' ' A' ' 30' ' ' LYS . 13.9 t70 -90.9 -2.93 57.68 Favored 'General case' 0 C--O 1.214 -0.794 0 CA-C-O 122.193 0.997 . . . . 0.69 108.917 -176.317 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.445 HG21 ' HA ' ' A' ' 12' ' ' ALA . 99.5 t -77.75 73.37 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.302 -1.5 0 CA-C-O 122.671 1.224 . . . . 0.4 109.122 178.246 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.783 ' O ' HG21 ' A' ' 69' ' ' VAL . 81.2 mttt -91.57 -175.48 4.21 Favored 'General case' 0 C--O 1.199 -1.565 0 N-CA-C 105.998 -1.853 . . . . 1.67 105.998 176.252 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.734 HD11 HG21 ' A' ' 8' ' ' VAL . 10.5 mp -90.25 1.78 56.13 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 115.269 1.581 . . . . 1.08 115.269 -175.625 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -102.35 7.29 40.55 Favored 'General case' 0 C--N 1.298 -1.655 0 CA-C-O 122.897 1.332 . . . . 2.11 108.809 179.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.618 ' HE3' ' O ' ' A' ' 25' ' ' ASP . 70.2 mmtt -85.93 114.31 22.74 Favored 'General case' 0 C--N 1.308 -1.222 0 CA-C-N 114.408 -1.269 . . . . 1.02 113.087 -175.499 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.3 m -91.26 27.48 1.9 Allowed 'General case' 0 C--N 1.303 -1.441 0 C-N-CA 123.504 0.722 . . . . 1.16 112.212 178.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.633 ' HA ' HD12 ' A' ' 36' ' ' LEU . 71.7 m-85 57.53 -109.75 0.5 Allowed 'General case' 0 N--CA 1.462 0.138 0 N-CA-C 113.989 1.107 . . . . 0.36 113.989 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -74.71 68.38 1.68 Allowed 'General case' 0 C--N 1.315 -0.921 0 CA-C-O 121.91 0.862 . . . . 0.47 111.686 179.178 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -172.91 -59.37 0.02 OUTLIER 'General case' 0 C--N 1.311 -1.108 0 CA-C-N 114.088 -1.415 . . . . 0.73 107.778 -177.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -93.54 -50.6 5.34 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.261 -0.882 . . . . 1.46 109.103 -178.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.633 HD12 ' HA ' ' A' ' 32' ' ' PHE . 87.2 mt -71.05 -53.23 15.42 Favored 'General case' 0 C--O 1.219 -0.55 0 N-CA-C 108.31 -0.996 . . . . 0.58 108.31 177.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.5 t70 67.99 95.9 0.06 Allowed 'General case' 0 CA--C 1.505 -0.753 0 CA-C-N 114.71 -1.132 . . . . 1.14 112.165 175.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.661 HG13 ' H ' ' A' ' 39' ' ' ASP . 2.8 p -119.48 -88.3 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.413 -2.278 0 CA-C-N 115.233 -0.894 . . . . 1.79 113.178 179.251 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.661 ' H ' HG13 ' A' ' 38' ' ' VAL . 9.0 t70 -166.46 -174.69 2.93 Favored 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 105.931 -1.878 . . . . 0.79 105.931 -172.129 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 41.3 t -93.79 -38.0 11.49 Favored 'General case' 0 C--N 1.277 -2.551 0 C-N-CA 123.575 0.75 . . . . 1.23 109.233 -177.358 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 76.6 mt -73.53 -37.34 65.66 Favored 'General case' 0 C--N 1.307 -1.271 0 CA-C-N 115.184 -0.916 . . . . 1.02 110.171 -173.33 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.2 m -74.2 -15.32 61.01 Favored 'General case' 0 N--CA 1.433 -1.317 0 CA-C-N 114.881 -1.054 . . . . 1.02 110.367 -179.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.568 ' O ' HG12 ' A' ' 46' ' ' VAL . 31.1 tpp -81.05 -44.55 17.87 Favored 'General case' 0 N--CA 1.427 -1.589 0 CA-C-N 115.766 -0.652 . . . . 0.55 109.529 179.295 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 58.3 t -63.65 -41.11 91.5 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.336 0 N-CA-C 109.186 -0.672 . . . . 0.56 109.186 179.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.425 ' HB2' HG21 ' A' ' 18' ' ' ILE . 42.8 mt-10 -73.8 -29.88 62.42 Favored 'General case' 0 N--CA 1.425 -1.687 0 C-N-CA 120.437 -0.505 . . . . 2.08 112.054 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.811 HG13 ' H7 ' ' A' ' 101' ' ' SHW . 4.7 p -68.65 -36.37 74.17 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.665 0 N-CA-C 109.329 -0.619 . . . . 0.52 109.329 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 43' ' ' MET . 86.8 t -62.0 -63.17 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-N 114.645 -1.162 . . . . 0.38 108.557 173.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 90.4 t -49.04 -46.7 17.23 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.205 0 CA-C-N 115.831 -0.622 . . . . 0.58 112.521 177.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.89 -33.96 77.03 Favored 'General case' 0 C--N 1.315 -0.925 0 O-C-N 121.892 -0.505 . . . . 0.42 112.021 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.85 -38.54 91.22 Favored 'General case' 0 C--O 1.244 0.774 0 N-CA-C 109.609 -0.515 . . . . 0.38 109.609 178.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.67 ' HG2' ' H ' ' A' ' 58' ' ' ILE . 34.6 mt-10 -59.16 -47.43 85.32 Favored 'General case' 0 C--O 1.202 -1.417 0 CA-C-N 115.37 -0.832 . . . . 1.36 109.356 178.304 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -75.45 -28.23 59.22 Favored 'General case' 0 C--N 1.301 -1.538 0 CA-C-N 114.839 -1.073 . . . . 2.09 111.683 -175.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.5 tpm_? -74.53 -43.09 57.46 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.722 0.772 . . . . 2.75 109.815 -178.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.501 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 43.3 m-85 -101.28 -2.61 30.68 Favored 'General case' 0 C--N 1.305 -1.357 0 CA-C-N 115.303 -0.862 . . . . 0.73 111.55 -175.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.6 t70 70.84 -0.22 3.09 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 125.727 1.611 . . . . 2.02 111.584 178.322 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.59 ' O ' ' HA ' ' A' ' 51' ' ' GLU . 3.2 p -100.61 115.26 41.72 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-N 115.68 -0.691 . . . . 1.61 110.062 -179.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.425 ' O ' ' HD3' ' A' ' 59' ' ' PRO . 31.2 mmmt -64.05 102.13 0.46 Allowed 'General case' 0 C--N 1.3 -1.544 0 CA-C-N 115.354 -0.839 . . . . 1.67 111.56 178.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.67 ' H ' ' HG2' ' A' ' 51' ' ' GLU . 50.7 mt -99.25 100.71 10.84 Favored Pre-proline 0 C--N 1.296 -1.72 0 N-CA-C 106.394 -1.706 . . . . 0.49 106.394 175.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.545 ' HD2' ' HB2' ' A' ' 62' ' ' ASP . 14.8 Cg_exo -66.74 147.51 81.35 Favored 'Trans proline' 0 N--CA 1.439 -1.705 0 C-N-CA 121.696 1.597 . . . . 0.62 111.766 -176.686 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.479 ' O ' HG12 ' A' ' 63' ' ' VAL . 3.7 p30 -58.92 -21.11 57.29 Favored 'General case' 0 C--O 1.213 -0.844 0 C-N-CA 123.444 0.698 . . . . 2.0 110.627 175.191 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.426 ' HA ' ' HE3' ' A' ' 64' ' ' LYS . 17.6 t70 -83.36 -35.22 25.31 Favored 'General case' 0 C--N 1.313 -0.979 0 C-N-CA 120.672 -0.411 . . . . 2.09 111.36 178.118 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.545 ' HB2' ' HD2' ' A' ' 59' ' ' PRO . 4.7 m-20 -78.44 -31.86 48.27 Favored 'General case' 0 CA--C 1.48 -1.723 0 O-C-N 122.12 -0.363 . . . . 1.58 111.3 177.016 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.513 HG21 HG22 ' A' ' 47' ' ' VAL . 2.5 p -59.83 -22.52 24.12 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.147 0 CA-C-O 121.605 0.717 . . . . 0.69 110.925 -178.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.507 ' HA ' ' O1 ' ' A' ' 101' ' ' SHW . 94.1 mttt -61.84 -33.52 74.31 Favored 'General case' 0 N--CA 1.439 -0.98 0 CA-C-N 114.466 -1.243 . . . . 2.44 112.18 179.161 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 9.7 p-10 -88.54 -9.72 51.35 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 119.286 -0.966 . . . . 1.94 110.193 -178.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.858 HD13 ' HA ' ' A' ' 72' ' ' ALA . 51.0 mt -80.31 -61.96 1.82 Allowed 'General case' 0 N--CA 1.437 -1.108 0 N-CA-C 107.795 -1.187 . . . . 1.67 107.795 178.65 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.821 ' HE2' ' H3 ' ' A' ' 101' ' ' SHW . 0.0 OUTLIER 69.14 -35.36 0.3 Allowed 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.184 1.393 . . . . 3.18 114.303 178.275 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 36.9 p -114.21 169.79 8.76 Favored 'General case' 0 C--N 1.301 -1.536 0 CA-C-O 121.583 0.706 . . . . 0.51 112.578 -178.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.783 HG21 ' O ' ' A' ' 27' ' ' LYS . 3.4 m -61.93 -44.66 99.2 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.111 0 CA-C-N 113.895 -1.502 . . . . 0.35 109.438 171.59 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.462 ' N ' HG23 ' A' ' 69' ' ' VAL . . . -61.5 -49.35 77.9 Favored Glycine 0 N--CA 1.434 -1.497 0 CA-C-N 115.144 -0.935 . . . . 0.3 112.188 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.426 ' HB3' ' HA ' ' A' ' 66' ' ' LEU . 0.9 OUTLIER -69.36 -29.26 67.01 Favored 'General case' 0 CA--C 1.509 -0.627 0 CA-C-N 117.396 0.598 . . . . 1.79 111.967 178.434 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.858 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -60.94 -59.29 5.61 Favored 'General case' 0 C--O 1.222 -0.363 0 N-CA-C 108.463 -0.94 . . . . 0.29 108.463 174.529 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.544 HG23 ' HB ' ' A' ' 7' ' ' ILE . 76.7 m -48.31 -48.35 36.06 Favored 'General case' 0 C--O 1.189 -2.103 0 C-N-CA 123.938 0.895 . . . . 0.31 111.835 173.411 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.404 ' HB3' ' HA ' ' A' ' 71' ' ' ASP . 84.5 tttt -51.83 -42.74 62.79 Favored 'General case' 0 C--N 1.307 -1.257 0 C-N-CA 125.424 1.489 . . . . 2.93 111.319 177.118 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 57.8 t80 -70.08 -47.43 61.96 Favored 'General case' 0 C--O 1.212 -0.872 0 N-CA-C 108.854 -0.795 . . . . 0.53 108.854 179.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.534 HG12 HD11 ' A' ' 58' ' ' ILE . 67.7 mt -63.66 -45.83 96.39 Favored 'Isoleucine or valine' 0 C--O 1.194 -1.838 0 CA-C-N 114.983 -1.008 . . . . 0.27 110.532 -178.161 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.452 ' HA ' HE21 ' A' ' 80' ' ' GLN . 48.4 tp -57.36 -32.27 66.58 Favored 'General case' 0 C--N 1.313 -1.004 0 C-N-CA 123.826 0.85 . . . . 1.15 110.633 179.516 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -88.23 -36.21 16.88 Favored 'General case' 0 C--N 1.304 -1.402 0 CA-C-O 121.687 0.756 . . . . 0.67 111.447 179.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.456 ' HB3' HG21 ' A' ' 56' ' ' VAL . 15.9 m-70 -92.46 5.35 51.1 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 114.033 1.123 . . . . 1.53 114.033 -175.199 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.456 ' NE2' HG22 ' A' ' 76' ' ' ILE . 79.8 mm-40 -33.49 130.69 0.25 Allowed 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 125.976 1.711 . . . . 0.89 114.716 178.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.482 0 N-CA-C 107.873 -1.158 . . . . 2.36 107.873 179.187 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' SHW . . . . . 0.821 ' H3 ' ' HE2' ' A' ' 67' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.513 -0.473 0 N-CA-C 109.126 -0.694 . . . . 2.05 109.126 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -135.52 -170.82 2.69 Favored 'General case' 0 C--N 1.315 -0.927 0 N-CA-C 108.359 -0.978 . . . . 1.02 108.359 177.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.455 ' O ' HG13 ' A' ' 7' ' ' ILE . 19.1 p -90.11 122.22 32.89 Favored 'General case' 0 C--N 1.292 -1.907 0 N-CA-C 108.188 -1.042 . . . . 1.05 108.188 177.213 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.401 ' HA ' HD12 ' A' ' 7' ' ' ILE . 52.5 mt-30 -43.51 -37.67 2.55 Favored 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 114.144 1.164 . . . . 1.25 114.144 -176.68 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -69.03 -31.0 69.47 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 111.68 0.252 . . . . 2.3 111.68 -178.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.6 tp10 -73.8 -34.1 64.49 Favored 'General case' 0 C--N 1.314 -0.976 0 N-CA-C 108.362 -0.977 . . . . 1.92 108.362 -179.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.533 ' HB ' HG23 ' A' ' 73' ' ' THR . 18.3 mt -67.76 -56.4 13.23 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.382 0 CA-C-N 114.6 -1.182 . . . . 0.29 108.307 179.019 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.786 HG21 HD11 ' A' ' 28' ' ' LEU . 57.5 t -54.16 -41.04 49.4 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.017 0 CA-C-N 115.99 -0.55 . . . . 0.32 111.103 176.222 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.58 -33.64 76.38 Favored 'General case' 0 N--CA 1.473 0.723 0 CA-C-O 121.163 0.506 . . . . 0.32 110.245 177.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.06 -43.48 90.5 Favored Glycine 0 N--CA 1.436 -1.314 0 N-CA-C 110.108 -1.197 . . . . 0.31 110.108 176.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.471 ' O ' HG23 ' A' ' 15' ' ' VAL . 96.6 mt -59.63 -48.44 81.64 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 109.161 -0.681 . . . . 0.29 109.161 176.111 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.34 -44.06 71.78 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 114.835 -1.075 . . . . 0.24 112.258 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -68.25 -37.71 81.04 Favored 'General case' 0 CA--C 1.517 -0.326 0 C-N-CA 119.953 -0.699 . . . . 1.46 111.941 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 95.4 mt -62.86 -49.18 84.68 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.186 0 N-CA-C 109.161 -0.681 . . . . 0.41 109.161 176.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 11' ' ' LEU . 96.5 t -57.9 -48.96 82.67 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.263 0 CA-C-N 115.718 -0.673 . . . . 0.29 110.184 178.025 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -63.53 -32.59 74.09 Favored 'General case' 0 C--N 1.302 -1.498 0 CA-C-O 121.168 0.508 . . . . 0.64 111.509 -179.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -74.46 -44.56 51.07 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 115.885 -0.598 . . . . 2.0 110.725 -179.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.689 HG21 ' HB2' ' A' ' 45' ' ' GLU . 72.8 mt -98.24 -52.73 8.69 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.828 0 N-CA-C 113.049 0.759 . . . . 0.28 113.049 -173.381 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.663 ' HB2' HG13 ' A' ' 38' ' ' VAL . . . -74.89 -40.52 60.87 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 109.135 -0.691 . . . . 0.34 109.135 179.556 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.4 3.31 61.44 Favored Glycine 0 N--CA 1.451 -0.366 0 CA-C-N 115.046 -0.979 . . . . 0.46 111.14 -179.165 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.469 ' HA ' ' HD2' ' A' ' 22' ' ' PRO . 50.6 mm -81.8 137.31 47.26 Favored Pre-proline 0 C--N 1.311 -1.074 0 C-N-CA 123.641 0.776 . . . . 0.42 110.286 -176.477 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.469 ' HD2' ' HA ' ' A' ' 21' ' ' ILE . 6.3 Cg_exo -33.91 128.71 0.17 Allowed 'Trans proline' 0 C--N 1.359 1.103 1 C-N-CA 125.729 4.286 . . . . 0.41 115.426 175.137 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 66.5 t -57.45 -37.55 58.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 113.825 -1.534 . . . . 0.69 108.284 178.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.562 ' O ' ' HE2' ' A' ' 27' ' ' LYS . 9.3 pt-20 -97.83 11.05 38.57 Favored 'General case' 0 N--CA 1.41 -2.451 0 N-CA-C 114.915 1.45 . . . . 2.34 114.915 -176.371 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.515 ' O ' ' HE3' ' A' ' 30' ' ' LYS . 17.8 t70 -91.74 -12.87 32.7 Favored 'General case' 0 C--O 1.211 -0.95 0 N-CA-C 105.679 -1.971 . . . . 0.69 105.679 169.613 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 50.7 t -80.24 78.85 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.438 -1.049 0 CA-C-N 113.64 -1.618 . . . . 0.4 109.34 179.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.733 ' O ' HG21 ' A' ' 69' ' ' VAL . 74.2 mmtt -92.91 -160.55 0.76 Allowed 'General case' 0 C--O 1.2 -1.507 0 N-CA-C 105.996 -1.853 . . . . 1.67 105.996 175.242 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.786 HD11 HG21 ' A' ' 8' ' ' VAL . 10.9 mp -104.71 10.85 34.56 Favored 'General case' 0 N--CA 1.485 1.288 0 CA-C-N 119.275 0.943 . . . . 1.08 112.624 179.461 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -110.64 13.8 22.45 Favored 'General case' 0 C--N 1.28 -2.427 0 N-CA-C 108.014 -1.106 . . . . 2.11 108.014 -179.235 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.596 ' O ' HG22 ' A' ' 69' ' ' VAL . 66.1 mmtt -105.62 118.65 37.13 Favored 'General case' 0 N--CA 1.423 -1.78 0 CA-C-N 114.449 -1.25 . . . . 1.02 114.223 -170.386 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.701 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 14.6 m -91.23 112.39 24.28 Favored 'General case' 0 N--CA 1.394 -3.246 0 N-CA-C 106.351 -1.722 . . . . 1.16 106.351 170.661 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.779 ' HA ' HD12 ' A' ' 36' ' ' LEU . 97.4 m-85 -34.57 -83.09 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.867 1.267 . . . . 0.36 113.911 177.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.508 HG23 ' HB ' ' A' ' 38' ' ' VAL . 0.7 OUTLIER -79.79 56.16 2.22 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 114.843 1.423 . . . . 0.47 114.843 177.569 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.701 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 14.3 t70 -158.51 -66.15 0.09 Allowed 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 114.768 -1.106 . . . . 0.73 110.166 177.127 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -90.99 -44.44 9.33 Favored 'General case' 0 CA--C 1.501 -0.913 0 CA-C-N 116.266 -0.425 . . . . 1.46 109.984 -175.126 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.779 HD12 ' HA ' ' A' ' 32' ' ' PHE . 96.6 mt -69.71 -40.02 76.53 Favored 'General case' 0 CA--C 1.511 -0.531 0 N-CA-C 109.225 -0.657 . . . . 0.58 109.225 178.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.7 t70 68.92 83.63 0.16 Allowed 'General case' 0 CA--C 1.509 -0.628 0 C-N-CA 124.897 1.279 . . . . 1.14 109.718 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.663 HG13 ' HB2' ' A' ' 19' ' ' ALA . 95.9 t -91.15 -89.33 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.298 -1.671 0 CA-C-N 114.222 -1.354 . . . . 1.79 109.671 -176.533 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.468 ' HB3' ' HB3' ' A' ' 42' ' ' SER . 17.1 t70 164.59 177.95 0.02 OUTLIER 'General case' 0 CA--C 1.504 -0.809 0 N-CA-C 103.147 -2.909 . . . . 0.79 103.147 -179.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.441 ' O ' HG23 ' A' ' 44' ' ' VAL . 23.9 t -93.91 -37.13 11.86 Favored 'General case' 0 C--N 1.27 -2.85 0 N-CA-C 109.14 -0.689 . . . . 1.23 109.14 -176.362 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 97.0 mt -78.5 -32.66 48.25 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 108.469 -0.938 . . . . 1.02 108.469 -177.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.553 ' OG ' HG22 ' A' ' 18' ' ' ILE . 24.7 t -70.94 -34.99 72.02 Favored 'General case' 0 N--CA 1.419 -1.976 0 CA-C-N 113.895 -1.502 . . . . 1.02 107.868 178.61 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.505 ' HB2' ' HE2' ' A' ' 43' ' ' MET . 26.4 tpp -64.21 -43.38 95.19 Favored 'General case' 0 C--O 1.215 -0.732 0 CA-C-N 116.094 -0.503 . . . . 0.55 110.835 179.28 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 40' ' ' SER . 57.4 t -59.04 -37.72 69.62 Favored 'Isoleucine or valine' 0 C--O 1.236 0.379 0 N-CA-C 109.611 -0.515 . . . . 0.56 109.611 178.079 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.689 ' HB2' HG21 ' A' ' 18' ' ' ILE . 44.0 mt-10 -68.05 -43.45 78.65 Favored 'General case' 0 N--CA 1.433 -1.289 0 N-CA-C 109.631 -0.507 . . . . 2.08 109.631 177.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.515 HG23 ' O ' ' A' ' 42' ' ' SER . 99.3 t -56.28 -49.72 75.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 O-C-N 123.747 0.655 . . . . 0.52 109.641 177.591 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.619 HG13 HG21 ' A' ' 63' ' ' VAL . 76.8 t -51.88 -63.27 0.47 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.617 0 O-C-N 123.871 0.732 . . . . 0.38 110.075 176.641 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 92.3 t -53.32 -46.0 56.97 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.488 0 N-CA-C 112.346 0.498 . . . . 0.58 112.346 178.033 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.37 -32.63 74.32 Favored 'General case' 0 C--N 1.321 -0.643 0 O-C-N 121.96 -0.462 . . . . 0.42 112.054 -178.23 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.41 ' HB2' ' H8B' ' A' ' 101' ' ' SHW . . . -60.69 -39.59 89.07 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-O 120.98 0.419 . . . . 0.38 110.479 178.753 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.693 ' HG2' ' H ' ' A' ' 58' ' ' ILE . 41.7 mt-10 -63.79 -32.41 73.91 Favored 'General case' 0 C--O 1.202 -1.4 0 CA-C-N 115.461 -0.79 . . . . 1.36 110.454 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -83.27 -39.69 20.53 Favored 'General case' 0 C--N 1.292 -1.902 0 CA-C-O 121.577 0.703 . . . . 2.09 109.723 -177.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.3 tpm_? -68.55 -39.16 81.2 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 115.147 -0.933 . . . . 2.75 110.07 -175.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.491 ' CE2' HD13 ' A' ' 76' ' ' ILE . 48.2 m-85 -108.02 -1.42 20.54 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 115.455 -0.793 . . . . 0.73 112.261 -176.161 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 24.7 t70 72.58 -13.9 0.61 Allowed 'General case' 0 N--CA 1.497 1.883 0 C-N-CA 124.535 1.134 . . . . 2.02 113.191 178.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.577 ' O ' ' HA ' ' A' ' 51' ' ' GLU . 7.6 p -94.41 124.34 46.86 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.204 0 O-C-N 121.86 -0.525 . . . . 1.61 110.496 -177.16 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 31.3 mmmt -71.8 126.03 28.67 Favored 'General case' 0 C--N 1.304 -1.401 0 CA-C-N 115.288 -0.869 . . . . 1.67 110.261 -178.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.742 HG22 HG23 ' A' ' 63' ' ' VAL . 28.7 mt -136.85 93.23 13.84 Favored Pre-proline 0 C--N 1.301 -1.543 0 N-CA-C 106.396 -1.705 . . . . 0.49 106.396 -178.341 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -73.58 156.53 49.44 Favored 'Trans proline' 0 N--CA 1.447 -1.256 0 C-N-CA 121.593 1.528 . . . . 0.62 111.458 -179.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.465 ' HA ' ' HB ' ' A' ' 63' ' ' VAL . 3.1 t70 -41.88 -39.29 1.77 Allowed 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 124.772 1.229 . . . . 2.0 111.949 175.112 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -62.1 -38.7 89.88 Favored 'General case' 0 C--N 1.309 -1.157 0 CA-C-N 114.902 -1.045 . . . . 2.09 111.755 -176.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -85.94 -33.35 21.19 Favored 'General case' 0 N--CA 1.485 1.294 0 CA-C-O 121.618 0.723 . . . . 1.58 109.424 176.683 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.742 HG23 HG22 ' A' ' 58' ' ' ILE . 1.4 t -56.49 -27.4 24.81 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.396 0 CA-C-N 114.589 -1.187 . . . . 0.69 111.553 176.357 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.601 ' HA ' ' S1 ' ' A' ' 101' ' ' SHW . 60.5 mmtt -58.58 -28.9 65.99 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.937 -0.574 . . . . 2.44 111.655 177.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -85.65 -11.61 53.42 Favored 'General case' 0 C--N 1.315 -0.906 0 CA-C-O 121.431 0.634 . . . . 1.94 109.777 -175.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.577 HD13 ' HA ' ' A' ' 72' ' ' ALA . 67.5 mt -76.63 -60.48 2.33 Favored 'General case' 0 C--O 1.204 -1.3 0 C-N-CA 120.608 -0.437 . . . . 1.67 111.674 -175.617 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.477 ' HA ' ' O1 ' ' A' ' 101' ' ' SHW 0.404 0.1 OUTLIER 57.85 -17.29 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.897 0 N-CA-C 117.099 2.259 . . . . 3.18 117.099 -179.365 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 22.5 p -140.73 170.29 16.04 Favored 'General case' 0 C--O 1.241 0.613 0 CA-C-O 121.417 0.627 . . . . 0.51 111.56 175.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.733 HG21 ' O ' ' A' ' 27' ' ' LYS . 4.0 m -62.37 -44.35 99.12 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 CA-C-N 114.575 -1.193 . . . . 0.35 110.619 174.023 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.452 ' N ' HG23 ' A' ' 69' ' ' VAL . . . -59.04 -45.8 94.7 Favored Glycine 0 N--CA 1.442 -0.922 0 CA-C-N 115.452 -0.794 . . . . 0.3 112.676 -179.685 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.431 ' HA ' ' HB3' ' A' ' 74' ' ' LYS . 1.4 m-20 -71.11 -34.54 71.19 Favored 'General case' 0 CA--C 1.494 -1.207 0 CA-C-N 117.234 0.517 . . . . 1.79 111.698 178.017 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.577 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -55.03 -59.12 5.18 Favored 'General case' 0 CA--C 1.516 -0.357 0 N-CA-C 108.061 -1.088 . . . . 0.29 108.061 175.053 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.533 HG23 ' HB ' ' A' ' 7' ' ' ILE . 51.4 m -48.27 -51.66 24.76 Favored 'General case' 0 C--O 1.192 -1.921 0 C-N-CA 123.993 0.917 . . . . 0.31 111.846 171.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.431 ' HB3' ' HA ' ' A' ' 71' ' ' ASP . 50.4 tptt -50.62 -41.57 55.1 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.249 0.62 . . . . 2.93 111.763 178.77 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.421 ' O ' ' HB2' ' A' ' 79' ' ' HIS . 45.4 t80 -69.27 -53.92 17.28 Favored 'General case' 0 C--O 1.202 -1.404 0 N-CA-C 107.924 -1.139 . . . . 0.53 107.924 -178.386 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.491 HD13 ' CE2' ' A' ' 54' ' ' PHE . 71.5 mt -54.23 -54.82 18.19 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.315 0 C-N-CA 124.447 1.099 . . . . 0.27 110.592 178.609 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 61.5 tp -48.57 -48.61 38.69 Favored 'General case' 0 C--N 1.318 -0.794 0 C-N-CA 124.3 1.04 . . . . 1.15 111.459 -179.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -84.54 -34.56 23.25 Favored 'General case' 0 C--N 1.302 -1.472 0 CA-C-N 115.223 -0.899 . . . . 0.67 112.604 -174.178 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.421 ' HB2' ' O ' ' A' ' 75' ' ' TYR . 36.3 m-70 -96.24 -7.6 35.13 Favored 'General case' 0 C--N 1.305 -1.351 0 N-CA-C 115.086 1.513 . . . . 1.53 115.086 -171.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -70.69 172.85 7.99 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 114.441 1.274 . . . . 0.89 114.441 -173.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.428 -1.556 0 CA-C-N 114.482 -1.235 . . . . 2.36 110.063 -175.481 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' SHW . . . . . 0.601 ' S1 ' ' HA ' ' A' ' 64' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.719 0 N-CA-C 108.249 -1.019 . . . . 2.05 108.249 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -150.12 145.87 26.57 Favored 'General case' 0 N--CA 1.43 -1.427 0 C-N-CA 120.107 -0.637 . . . . 1.02 109.579 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.456 ' O ' HG13 ' A' ' 7' ' ' ILE . 4.6 m -71.01 125.25 26.35 Favored 'General case' 0 N--CA 1.418 -2.04 0 N-CA-C 106.209 -1.775 . . . . 1.05 106.209 178.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.562 ' HA ' HD12 ' A' ' 7' ' ' ILE . 17.6 mt-30 -45.02 -42.5 8.45 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 114.124 1.157 . . . . 1.25 114.124 -172.337 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -65.59 -41.32 92.96 Favored 'General case' 0 C--O 1.2 -1.551 0 N-CA-C 110.247 -0.279 . . . . 2.3 110.247 179.112 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.436 ' HA ' ' HB3' ' A' ' 9' ' ' ALA . 35.7 tt0 -68.86 -21.93 64.24 Favored 'General case' 0 C--N 1.313 -1.018 0 C-N-CA 123.503 0.721 . . . . 1.92 110.402 179.113 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.562 HD12 ' HA ' ' A' ' 4' ' ' GLN . 41.4 mt -69.79 -59.1 3.89 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.824 0 N-CA-C 106.917 -1.512 . . . . 0.29 106.917 174.276 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.598 ' HA ' HD12 ' A' ' 11' ' ' LEU . 66.3 t -56.6 -41.54 73.89 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.067 0 CA-C-N 115.408 -0.815 . . . . 0.32 110.35 177.277 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.436 ' HB3' ' HA ' ' A' ' 6' ' ' GLU . . . -63.72 -38.88 92.77 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 122.938 0.495 . . . . 0.32 110.723 176.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -61.75 -48.02 86.7 Favored Glycine 0 CA--C 1.495 -1.167 0 N-CA-C 109.819 -1.312 . . . . 0.31 109.819 175.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.598 HD12 ' HA ' ' A' ' 8' ' ' VAL . 97.6 mt -56.24 -46.32 79.63 Favored 'General case' 0 N--CA 1.436 -1.134 0 C-N-CA 123.524 0.73 . . . . 0.29 109.659 175.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.69 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -58.21 -43.58 87.71 Favored 'General case' 0 C--N 1.315 -0.926 0 C-N-CA 124.111 0.964 . . . . 0.24 112.248 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.502 ' HA ' HG22 ' A' ' 23' ' ' VAL . 10.7 pt-20 -73.33 -28.73 62.23 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 112.9 0.704 . . . . 1.46 112.9 -179.706 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 89.9 mt -67.81 -50.78 56.87 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.194 0 N-CA-C 108.183 -1.043 . . . . 0.41 108.183 172.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.665 HG12 ' HB ' ' A' ' 21' ' ' ILE . 84.2 t -60.24 -35.54 62.73 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.566 0 CA-C-N 115.462 -0.79 . . . . 0.29 110.691 177.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.492 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 3.9 t-20 -60.04 -39.17 85.01 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-O 121.077 0.465 . . . . 0.64 110.336 178.138 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -79.91 -52.07 8.33 Favored 'General case' 0 C--N 1.306 -1.293 0 CA-C-N 115.34 -0.845 . . . . 2.0 111.742 -176.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.69 HG22 ' HB3' ' A' ' 42' ' ' SER . 68.8 mt -82.16 -53.5 11.74 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 N-CA-C 112.094 0.405 . . . . 0.28 112.094 -174.397 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.763 ' HB2' HG13 ' A' ' 38' ' ' VAL . . . -77.74 -37.87 48.27 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.289 0.566 . . . . 0.34 110.045 -178.399 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.41 28.83 10.86 Favored Glycine 0 N--CA 1.446 -0.663 0 N-CA-C 110.797 -0.921 . . . . 0.46 110.797 -178.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.665 ' HB ' HG12 ' A' ' 15' ' ' VAL . 51.5 mm -108.47 126.81 28.71 Favored Pre-proline 0 C--N 1.316 -0.879 0 N-CA-C 109.541 -0.54 . . . . 0.42 109.541 -177.424 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.503 ' HD2' ' HA ' ' A' ' 21' ' ' ILE . 2.9 Cg_exo -34.93 135.49 0.15 Allowed 'Trans proline' 0 N--CA 1.457 -0.652 1 C-N-CA 125.481 4.121 . . . . 0.41 115.094 175.846 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.69 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 29.7 t -65.95 -5.12 2.66 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 CA-C-N 114.366 -1.288 . . . . 0.69 109.318 177.309 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -105.2 -20.46 13.5 Favored 'General case' 0 N--CA 1.422 -1.869 0 CA-C-N 114.82 -1.082 . . . . 2.34 111.346 -178.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -84.15 -28.19 27.58 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 108.771 -0.826 . . . . 0.69 108.771 -175.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.514 HG22 HD13 ' A' ' 36' ' ' LEU . 88.2 t -84.82 81.4 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.307 -1.262 0 CA-C-N 113.565 -1.652 . . . . 0.4 109.501 -178.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.589 ' O ' HG21 ' A' ' 69' ' ' VAL . 13.2 pttm -113.98 168.37 9.87 Favored 'General case' 0 C--N 1.289 -2.052 0 CA-C-N 114.139 -1.392 . . . . 1.67 108.21 176.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.76 ' HA ' HG23 ' A' ' 69' ' ' VAL . 4.9 tt -67.42 6.03 0.67 Allowed 'General case' 0 N--CA 1.49 1.54 0 N-CA-C 115.408 1.633 . . . . 1.08 115.408 -166.779 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -110.58 13.59 22.56 Favored 'General case' 0 C--N 1.28 -2.436 0 O-C-N 121.117 -0.99 . . . . 2.11 108.922 179.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.558 ' HB3' ' HG ' ' A' ' 36' ' ' LEU . 70.2 mmtt -113.2 135.03 54.26 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 114.153 1.168 . . . . 1.02 114.153 -172.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.662 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 16.0 m -94.81 117.72 30.59 Favored 'General case' 0 N--CA 1.402 -2.851 0 N-CA-C 107.105 -1.443 . . . . 1.16 107.105 171.714 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.83 ' HA ' HD12 ' A' ' 36' ' ' LEU . 98.4 m-85 -39.89 -88.47 0.0 OUTLIER 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 114.208 1.188 . . . . 0.36 114.208 177.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.655 HG23 ' HB ' ' A' ' 38' ' ' VAL . 0.3 OUTLIER -80.22 59.24 3.29 Favored 'General case' 0 C--N 1.313 -0.996 0 O-C-N 121.73 -0.606 . . . . 0.47 112.424 178.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -165.52 -65.97 0.03 OUTLIER 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 115.482 -0.781 . . . . 0.73 110.25 179.159 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -91.96 -49.9 5.99 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 116.14 -0.482 . . . . 1.46 109.789 -174.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.83 HD12 ' HA ' ' A' ' 32' ' ' PHE . 89.1 mt -65.84 -43.6 88.01 Favored 'General case' 0 CA--C 1.499 -1.015 0 CA-C-N 115.592 -0.731 . . . . 0.58 110.006 178.419 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 31.6 t70 73.57 94.38 0.08 Allowed 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 113.253 -1.794 . . . . 1.14 110.607 -175.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.763 HG13 ' HB2' ' A' ' 19' ' ' ALA . 69.8 t -87.62 -78.51 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.292 -1.912 0 N-CA-C 107.258 -1.386 . . . . 1.79 107.258 177.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -179.58 -91.97 0.0 OUTLIER 'General case' 0 C--N 1.29 -1.987 0 CA-C-N 114.274 -1.33 . . . . 0.79 109.272 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.3 t 175.44 -59.04 0.01 OUTLIER 'General case' 0 N--CA 1.431 -1.39 0 N-CA-C 106.839 -1.541 . . . . 1.23 106.839 -176.046 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 84.2 mt -79.26 -32.57 43.75 Favored 'General case' 0 C--N 1.306 -1.313 0 CA-C-O 122.035 0.921 . . . . 1.02 108.863 -175.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.69 ' HB3' HG22 ' A' ' 18' ' ' ILE . 42.6 m -69.93 -14.63 62.81 Favored 'General case' 0 N--CA 1.432 -1.365 0 CA-C-N 114.028 -1.442 . . . . 1.02 110.664 178.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.475 ' HB2' ' HE2' ' A' ' 43' ' ' MET . 29.5 tpp -67.2 -46.79 72.84 Favored 'General case' 0 N--CA 1.429 -1.507 0 CA-C-N 116.181 -0.463 . . . . 0.55 111.681 -178.346 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 59.0 t -65.85 -23.87 33.13 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.13 0 CA-C-N 115.948 -0.569 . . . . 0.56 110.384 -177.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.594 ' HB2' HG21 ' A' ' 18' ' ' ILE . 5.7 mm-40 -72.39 -38.22 68.53 Favored 'General case' 0 N--CA 1.437 -1.08 0 N-CA-C 108.007 -1.109 . . . . 2.08 108.007 178.513 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.46 HG23 ' O ' ' A' ' 42' ' ' SER . 84.0 t -64.02 -46.6 93.43 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-N 115.267 -0.878 . . . . 0.52 108.944 178.04 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 43' ' ' MET . 60.2 t -52.55 -63.37 0.48 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.404 0 O-C-N 124.056 0.848 . . . . 0.38 109.137 177.277 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.423 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 91.8 t -48.38 -46.58 14.29 Favored 'Isoleucine or valine' 0 CA--C 1.568 1.666 0 CA-C-N 115.937 -0.574 . . . . 0.58 112.222 174.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.87 -32.78 74.48 Favored 'General case' 0 C--O 1.241 0.607 0 N-CA-C 112.763 0.653 . . . . 0.42 112.763 -178.02 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.57 -35.48 81.13 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 122.423 0.289 . . . . 0.38 110.349 178.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.61 ' HG2' ' H ' ' A' ' 58' ' ' ILE . 31.8 mt-10 -59.67 -43.63 93.91 Favored 'General case' 0 C--O 1.219 -0.552 0 CA-C-O 121.422 0.629 . . . . 1.36 110.078 179.387 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -73.53 -33.59 64.8 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 115.026 -0.988 . . . . 2.09 111.198 -178.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 27.3 tpt180 -76.03 -35.24 59.58 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-O 121.097 0.475 . . . . 2.75 111.064 -174.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.493 ' CE2' HD13 ' A' ' 76' ' ' ILE . 35.5 m-85 -108.71 -3.9 17.45 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 112.686 0.625 . . . . 0.73 112.686 -175.176 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.3 t70 72.65 1.16 3.89 Favored 'General case' 0 N--CA 1.494 1.74 0 C-N-CA 125.39 1.476 . . . . 2.02 111.738 178.286 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.577 ' O ' ' HA ' ' A' ' 51' ' ' GLU . 3.2 p -104.0 121.63 55.8 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.333 0 CA-C-N 115.68 -0.691 . . . . 1.61 109.733 -179.583 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.458 ' HE2' ' OE2' ' A' ' 51' ' ' GLU . 14.7 mmmm -68.91 131.14 44.62 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 115.821 -0.627 . . . . 1.67 109.403 179.633 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.61 ' H ' ' HG2' ' A' ' 51' ' ' GLU . 37.5 mt -128.32 99.67 24.03 Favored Pre-proline 0 C--N 1.3 -1.566 0 N-CA-C 106.785 -1.561 . . . . 0.49 106.785 -177.438 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -77.03 141.41 20.99 Favored 'Trans proline' 0 N--CA 1.443 -1.445 0 C-N-CA 121.686 1.59 . . . . 0.62 113.365 -176.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.622 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 5.5 t70 -36.65 -37.69 0.14 Allowed 'General case' 0 C--O 1.205 -1.238 0 C-N-CA 126.1 1.76 . . . . 2.0 113.802 172.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -81.23 -30.67 34.12 Favored 'General case' 0 C--N 1.309 -1.17 0 N-CA-C 113.182 0.808 . . . . 2.09 113.182 -177.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 17.5 t0 -86.4 -32.19 21.04 Favored 'General case' 0 C--N 1.306 -1.287 0 N-CA-C 107.875 -1.157 . . . . 1.58 107.875 -178.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.835 HG22 ' H5 ' ' A' ' 101' ' ' SHW . 1.4 p -61.26 -21.6 25.3 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.01 0 CA-C-N 114.583 -1.19 . . . . 0.69 110.381 179.383 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.648 ' HA ' ' S1 ' ' A' ' 101' ' ' SHW . 95.1 mttt -62.97 -10.39 13.52 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.155 0.982 . . . . 2.44 112.708 177.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -88.48 -24.13 23.06 Favored 'General case' 0 C--N 1.317 -0.833 0 N-CA-C 108.405 -0.961 . . . . 1.94 108.405 178.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.83 HD13 ' HA ' ' A' ' 72' ' ' ALA . 12.1 mt -96.15 112.33 24.1 Favored 'General case' 0 N--CA 1.411 -2.377 0 N-CA-C 107.956 -1.127 . . . . 1.67 107.956 -173.796 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.547 ' HD2' ' OD2' ' A' ' 71' ' ' ASP 0.277 0.0 OUTLIER -110.38 -28.49 8.54 Favored 'General case' 0 C--N 1.287 -2.149 0 N-CA-C 113.06 0.763 . . . . 3.18 113.06 176.901 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.662 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 72.9 p -104.16 176.61 5.1 Favored 'General case' 0 N--CA 1.436 -1.154 0 C-N-CA 119.369 -0.932 . . . . 0.51 110.817 173.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.76 HG23 ' HA ' ' A' ' 28' ' ' LEU . 15.9 m -69.55 -33.64 57.92 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.587 0 CA-C-N 114.542 -1.208 . . . . 0.35 108.958 172.36 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -66.54 -36.78 91.93 Favored Glycine 0 N--CA 1.435 -1.418 0 CA-C-N 115.327 -0.852 . . . . 0.3 111.191 176.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.579 ' HB3' ' HA ' ' A' ' 66' ' ' LEU . 26.1 m-20 -67.36 -45.04 77.49 Favored 'General case' 0 CA--C 1.486 -1.504 0 N-CA-C 110.015 -0.365 . . . . 1.79 110.015 176.061 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.83 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -52.99 -59.13 4.93 Favored 'General case' 0 CA--C 1.515 -0.368 0 N-CA-C 108.629 -0.878 . . . . 0.29 108.629 176.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 44.0 m -48.56 -44.29 36.47 Favored 'General case' 0 C--O 1.19 -2.075 0 C-N-CA 123.854 0.862 . . . . 0.31 112.084 172.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.504 ' HB3' ' O ' ' A' ' 71' ' ' ASP . 26.2 ttpp -52.48 -39.63 61.43 Favored 'General case' 0 N--CA 1.484 1.255 0 CA-C-N 118.651 0.66 . . . . 2.93 111.317 176.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.606 ' HB2' HD21 ' A' ' 66' ' ' LEU . 60.5 t80 -76.76 -56.75 4.33 Favored 'General case' 0 C--O 1.2 -1.53 0 N-CA-C 108.194 -1.039 . . . . 0.53 108.194 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.551 HG22 ' NE2' ' A' ' 80' ' ' GLN . 70.0 mt -56.54 -52.01 58.33 Favored 'Isoleucine or valine' 0 C--O 1.188 -2.175 0 C-N-CA 124.662 1.185 . . . . 0.27 111.432 -175.779 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.576 ' HA ' HE21 ' A' ' 80' ' ' GLN . 35.1 tp -58.62 -34.31 71.01 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.084 0.553 . . . . 1.15 111.925 -178.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -88.04 -31.38 19.32 Favored 'General case' 0 C--N 1.299 -1.619 0 CA-C-O 122.212 1.006 . . . . 0.67 110.514 -177.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 22.5 m-70 -97.15 5.79 49.59 Favored 'General case' 0 C--N 1.295 -1.785 0 CA-C-N 114.663 -1.153 . . . . 1.53 112.391 -176.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.576 HE21 ' HA ' ' A' ' 77' ' ' LEU . 77.2 mm-40 -42.03 140.98 0.96 Allowed 'General case' 0 C--O 1.241 0.632 0 C-N-CA 124.394 1.078 . . . . 0.89 113.274 177.565 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.424 -1.77 0 CA-C-N 114.773 -1.103 . . . . 2.36 108.317 175.941 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' SHW . . . . . 0.835 ' H5 ' HG22 ' A' ' 63' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.474 ' HA ' ' HG3' ' A' ' 80' ' ' GLN . . . . . . . . 0 CA--C 1.51 -0.573 0 N-CA-C 108.998 -0.742 . . . . 2.05 108.998 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -145.32 155.09 42.98 Favored 'General case' 0 CA--C 1.493 -1.232 0 N-CA-C 106.505 -1.665 . . . . 1.02 106.505 174.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.724 HG22 ' HG2' ' A' ' 5' ' ' GLU . 7.5 m -69.05 126.95 31.4 Favored 'General case' 0 C--N 1.294 -1.839 0 N-CA-C 109.259 -0.645 . . . . 1.05 109.259 -177.606 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -53.23 -36.82 61.47 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.811 0.845 . . . . 1.25 112.074 -176.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.724 ' HG2' HG22 ' A' ' 3' ' ' THR . 10.8 pt-20 -73.06 -26.56 61.33 Favored 'General case' 0 C--N 1.302 -1.495 0 CA-C-N 115.618 -0.719 . . . . 2.3 110.849 -178.643 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.427 ' HB3' ' O ' ' A' ' 3' ' ' THR . 33.9 tt0 -73.01 -35.75 66.86 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 107.769 -1.197 . . . . 1.92 107.769 177.641 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.586 HG13 ' O ' ' A' ' 3' ' ' THR . 22.3 mt -66.94 -53.58 32.86 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.589 0 CA-C-N 114.261 -1.336 . . . . 0.29 107.977 177.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.758 HG21 HD11 ' A' ' 28' ' ' LEU . 58.5 t -57.62 -37.47 59.02 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.236 0 CA-C-N 116.192 -0.458 . . . . 0.32 111.937 177.143 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.2 -38.64 91.96 Favored 'General case' 0 C--O 1.243 0.736 0 CA-C-O 121.165 0.507 . . . . 0.32 110.056 176.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.95 -42.32 85.78 Favored Glycine 0 N--CA 1.436 -1.319 0 N-CA-C 110.673 -0.971 . . . . 0.31 110.673 178.017 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.487 ' O ' HG23 ' A' ' 15' ' ' VAL . 95.4 mt -60.74 -49.09 78.91 Favored 'General case' 0 C--N 1.307 -1.263 0 N-CA-C 110.175 -0.305 . . . . 0.29 110.175 175.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.49 -43.1 75.28 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 123.94 0.896 . . . . 0.24 112.393 -178.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -64.44 -39.05 93.08 Favored 'General case' 0 C--O 1.239 0.519 0 C-N-CA 120.503 -0.479 . . . . 1.46 111.484 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 91.3 mt -64.55 -52.11 59.14 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.129 0 CA-C-N 115.565 -0.743 . . . . 0.41 109.032 176.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 11' ' ' LEU . 95.5 t -54.96 -47.61 76.24 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.901 0 CA-C-N 115.092 -0.958 . . . . 0.29 111.18 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.9 t-20 -63.57 -30.71 71.79 Favored 'General case' 0 C--N 1.301 -1.522 0 C-N-CA 120.68 -0.408 . . . . 0.64 111.372 -179.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -76.76 -47.25 22.28 Favored 'General case' 0 C--N 1.31 -1.144 0 CA-C-N 116.018 -0.537 . . . . 2.0 110.823 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.598 HG21 ' HB2' ' A' ' 45' ' ' GLU . 69.4 mt -93.9 -53.9 7.88 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.941 0 N-CA-C 112.584 0.587 . . . . 0.28 112.584 -174.391 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.477 ' HB2' HG13 ' A' ' 38' ' ' VAL . . . -75.57 -30.93 59.83 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-O 120.826 0.346 . . . . 0.34 110.535 -177.5 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 82.03 22.22 59.71 Favored Glycine 0 N--CA 1.447 -0.575 0 CA-C-N 115.253 -0.885 . . . . 0.46 111.758 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.693 HG21 HD22 ' A' ' 36' ' ' LEU . 50.1 mm -101.34 136.63 19.62 Favored Pre-proline 0 C--N 1.307 -1.269 0 CA-C-N 115.845 -0.177 . . . . 0.42 110.597 -176.361 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.506 ' HD2' ' HA ' ' A' ' 21' ' ' ILE . 5.5 Cg_exo -33.06 123.58 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.211 1 C-N-CA 125.882 4.388 . . . . 0.41 114.565 173.688 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 61.3 t -56.0 -38.19 51.78 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.65 0 CA-C-N 114.082 -1.417 . . . . 0.69 109.55 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.301 48.5 mt-10 -97.31 2.4 50.64 Favored 'General case' 0 N--CA 1.42 -1.948 0 N-CA-C 114.634 1.346 . . . . 2.34 114.634 -176.623 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.453 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 33.2 t70 -86.45 -23.09 26.15 Favored 'General case' 0 CA--C 1.498 -1.05 0 N-CA-C 106.961 -1.496 . . . . 0.69 106.961 170.556 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.644 HG13 HG11 ' A' ' 69' ' ' VAL . 41.8 t -70.11 74.07 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.548 0.892 0 CA-C-N 114.21 -1.359 . . . . 0.4 109.867 175.724 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.705 ' O ' HG21 ' A' ' 69' ' ' VAL . 46.9 mttp -100.7 177.46 4.99 Favored 'General case' 0 C--O 1.2 -1.513 0 N-CA-C 105.544 -2.021 . . . . 1.67 105.544 175.652 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.758 HD11 HG21 ' A' ' 8' ' ' VAL . 9.7 mp -78.62 0.45 26.36 Favored 'General case' 0 C--N 1.29 -2.004 0 N-CA-C 115.738 1.755 . . . . 1.08 115.738 -170.337 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -104.88 10.9 34.2 Favored 'General case' 0 C--N 1.278 -2.506 0 N-CA-C 108.976 -0.75 . . . . 2.11 108.976 -179.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.488 ' O ' HG22 ' A' ' 69' ' ' VAL . 74.9 mmtt -97.65 110.85 23.34 Favored 'General case' 0 N--CA 1.418 -2.054 0 CA-C-N 114.84 -1.073 . . . . 1.02 112.511 -174.678 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.667 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 50.3 m -85.77 114.07 22.44 Favored 'General case' 0 N--CA 1.394 -3.231 0 N-CA-C 106.546 -1.649 . . . . 1.16 106.546 171.297 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.629 ' HA ' HD12 ' A' ' 36' ' ' LEU . 93.7 m-85 -33.66 -83.02 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 124.597 1.159 . . . . 0.36 113.87 179.287 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.581 HG23 ' HB ' ' A' ' 38' ' ' VAL . 1.1 p -84.41 65.38 8.89 Favored 'General case' 0 C--N 1.302 -1.491 0 CA-C-O 121.673 0.749 . . . . 0.47 112.965 176.309 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.667 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 14.0 t70 -161.73 -61.68 0.05 Allowed 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 114.277 -1.329 . . . . 0.73 109.464 177.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -93.65 -57.94 2.42 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.157 -0.682 . . . . 1.46 109.157 -178.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.693 HD22 HG21 ' A' ' 21' ' ' ILE . 76.4 mt -63.6 -44.53 93.74 Favored 'General case' 0 CA--C 1.515 -0.385 0 CA-C-N 114.931 -1.031 . . . . 0.58 110.003 -177.493 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.9 t70 71.2 82.5 0.15 Allowed 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 125.192 1.397 . . . . 1.14 108.691 179.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.581 ' HB ' HG23 ' A' ' 33' ' ' THR . 86.3 t -81.21 -90.22 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.306 -1.323 0 CA-C-N 114.204 -1.362 . . . . 1.79 110.39 -175.6 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.533 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 24.8 t70 172.57 -174.38 0.05 OUTLIER 'General case' 0 C--N 1.293 -1.868 0 N-CA-C 103.93 -2.618 . . . . 0.79 103.93 -177.727 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.581 ' HA ' ' H38' ' A' ' 101' ' ' SHW . 8.2 t -101.96 -38.88 7.59 Favored 'General case' 0 C--N 1.267 -2.987 0 N-CA-C 108.854 -0.795 . . . . 1.23 108.854 -174.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 94.8 mt -85.12 -35.42 21.78 Favored 'General case' 0 C--N 1.31 -1.138 0 N-CA-C 108.938 -0.764 . . . . 1.02 108.938 -179.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.584 ' HB3' HG22 ' A' ' 18' ' ' ILE . 19.0 m -66.99 -25.76 66.47 Favored 'General case' 0 N--CA 1.441 -0.885 0 CA-C-N 115.254 -0.885 . . . . 1.02 109.547 -179.569 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.508 ' O ' HG23 ' A' ' 47' ' ' VAL . 31.7 tpp -61.77 -48.55 80.14 Favored 'General case' 0 N--CA 1.438 -1.034 0 CA-C-N 115.579 -0.737 . . . . 0.55 110.546 178.243 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 47.1 t -69.52 -26.79 31.88 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.292 0 CA-C-N 115.012 -0.995 . . . . 0.56 110.671 -175.299 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.598 ' HB2' HG21 ' A' ' 18' ' ' ILE . 38.3 mt-10 -70.99 -38.59 72.72 Favored 'General case' 0 N--CA 1.433 -1.284 0 N-CA-C 109.077 -0.712 . . . . 2.08 109.077 176.475 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 42' ' ' SER . 86.1 t -59.23 -46.01 92.55 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 N-CA-C 108.934 -0.765 . . . . 0.52 108.934 175.484 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.602 HG22 HG21 ' A' ' 63' ' ' VAL . 70.1 t -53.51 -63.98 0.46 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.707 0 CA-C-N 115.472 -0.786 . . . . 0.38 109.886 176.386 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.458 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 92.3 t -53.19 -40.08 37.04 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.309 0 C-N-CA 123.062 0.545 . . . . 0.58 112.438 179.041 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.22 -30.73 67.89 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 121.934 -0.479 . . . . 0.42 112.016 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.98 -36.71 84.85 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.24 0.543 . . . . 0.38 110.553 179.053 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.584 ' HG2' ' H ' ' A' ' 58' ' ' ILE . 28.8 mt-10 -64.59 -29.87 70.89 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-O 122.002 0.906 . . . . 1.36 110.091 179.37 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -83.43 -35.68 24.81 Favored 'General case' 0 C--N 1.299 -1.607 0 CA-C-N 114.96 -1.018 . . . . 2.09 109.968 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 6.7 tpm_? -76.96 -31.76 56.8 Favored 'General case' 0 N--CA 1.434 -1.262 0 CA-C-N 114.754 -1.112 . . . . 2.75 110.673 -174.188 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.537 ' CD2' HD13 ' A' ' 76' ' ' ILE . 35.2 m-85 -118.66 -0.63 11.28 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 113.208 0.818 . . . . 0.73 113.208 -175.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 22.8 t70 73.38 -11.46 0.91 Allowed 'General case' 0 N--CA 1.502 2.138 0 C-N-CA 124.25 1.02 . . . . 2.02 112.146 178.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.503 ' O ' ' HA ' ' A' ' 51' ' ' GLU . 6.9 p -93.24 119.86 41.69 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.081 0 CA-C-O 121.405 0.621 . . . . 1.61 110.289 -177.711 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.1 mmmp? -70.54 123.54 22.06 Favored 'General case' 0 C--N 1.303 -1.446 0 CA-C-N 115.026 -0.988 . . . . 1.67 110.289 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.584 ' H ' ' HG2' ' A' ' 51' ' ' GLU . 49.3 mt -129.99 95.68 27.8 Favored Pre-proline 0 C--N 1.292 -1.893 0 N-CA-C 106.39 -1.708 . . . . 0.49 106.39 -179.369 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_endo -72.54 151.93 53.52 Favored 'Trans proline' 0 N--CA 1.441 -1.591 0 C-N-CA 121.308 1.339 . . . . 0.62 112.052 -178.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.572 ' O ' HG12 ' A' ' 63' ' ' VAL . 11.5 t70 -43.91 -35.56 2.05 Favored 'General case' 0 C--O 1.207 -1.132 0 C-N-CA 124.981 1.313 . . . . 2.0 111.782 173.681 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -60.46 -50.06 75.1 Favored 'General case' 0 C--N 1.312 -1.041 0 N-CA-C 111.945 0.35 . . . . 2.09 111.945 178.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -83.42 -23.56 32.28 Favored 'General case' 0 CA--C 1.492 -1.271 0 O-C-N 122.076 -0.39 . . . . 1.58 111.902 -179.107 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.602 HG21 HG22 ' A' ' 47' ' ' VAL . 1.0 OUTLIER -63.84 -22.3 30.69 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.135 0 CA-C-O 121.51 0.671 . . . . 0.69 110.867 -178.13 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.552 ' HG2' ' O ' ' A' ' 60' ' ' ASP . 72.9 mmtt -64.91 -24.22 67.46 Favored 'General case' 0 C--O 1.218 -0.567 0 CA-C-N 115.356 -0.838 . . . . 2.44 110.821 178.341 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 86.3 m-20 -92.89 6.28 48.3 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 115.689 -0.687 . . . . 1.94 110.468 -177.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.7 HD13 ' HA ' ' A' ' 72' ' ' ALA . 60.5 mt -97.91 -56.63 2.44 Favored 'General case' 0 C--O 1.204 -1.327 0 CA-C-N 116.231 -0.44 . . . . 1.67 109.876 179.046 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.519 ' HA ' ' H3 ' ' A' ' 101' ' ' SHW 0.44 0.0 OUTLIER 58.81 -28.38 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 117.681 2.474 . . . . 3.18 117.681 177.091 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 79.2 p -121.96 179.28 4.56 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.437 -0.789 . . . . 0.51 110.521 177.114 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.705 HG21 ' O ' ' A' ' 27' ' ' LYS . 4.1 m -73.85 -42.5 53.75 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.585 0 CA-C-N 114.144 -1.389 . . . . 0.35 109.461 172.068 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.417 ' N ' HG23 ' A' ' 69' ' ' VAL . . . -65.48 -42.4 95.8 Favored Glycine 0 CA--C 1.498 -0.987 0 CA-C-N 115.604 -0.725 . . . . 0.3 112.345 -178.041 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.548 ' HB2' ' O ' ' A' ' 66' ' ' LEU . 28.9 m-20 -78.26 -26.7 47.33 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 110.423 -0.214 . . . . 1.79 110.423 -179.762 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.7 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -62.1 -55.78 25.43 Favored 'General case' 0 CA--C 1.511 -0.542 0 N-CA-C 107.594 -1.261 . . . . 0.29 107.594 172.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.547 ' HA ' HG21 ' A' ' 7' ' ' ILE . 85.4 m -49.0 -43.8 40.64 Favored 'General case' 0 C--O 1.194 -1.867 0 C-N-CA 123.836 0.855 . . . . 0.31 111.406 171.095 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.421 ' HB3' ' HA ' ' A' ' 71' ' ' ASP . 23.4 tptm -57.07 -32.19 65.99 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 123.836 0.854 . . . . 2.93 111.281 178.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.468 ' HB2' ' CD2' ' A' ' 66' ' ' LEU . 55.2 t80 -75.82 -55.76 5.32 Favored 'General case' 0 C--O 1.201 -1.493 0 N-CA-C 107.652 -1.24 . . . . 0.53 107.652 178.403 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.537 HD13 ' CD2' ' A' ' 54' ' ' PHE . 61.6 mt -56.61 -52.21 56.44 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.606 0 C-N-CA 125.087 1.355 . . . . 0.27 110.983 -177.748 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 47.1 tp -50.53 -42.23 54.79 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.903 0.881 . . . . 1.15 111.432 178.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -88.99 -28.45 20.2 Favored 'General case' 0 C--N 1.295 -1.764 0 CA-C-N 115.074 -0.966 . . . . 0.67 112.022 -174.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 39.3 m-70 -102.18 5.84 40.43 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 113.657 0.984 . . . . 1.53 113.657 -174.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.474 ' HG3' ' HA ' ' A' ' 1' ' ' ALA . 81.3 mm-40 -32.03 119.51 0.27 Allowed 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 125.088 1.355 . . . . 0.89 113.433 178.388 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.429 -1.491 0 N-CA-C 108.575 -0.898 . . . . 2.36 108.575 -179.873 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' SHW . . . . . 0.581 ' H38' ' HA ' ' A' ' 40' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.424 ' HA ' ' HG3' ' A' ' 80' ' ' GLN . . . . . . . . 0 C--O 1.233 0.201 0 N-CA-C 108.752 -0.833 . . . . 2.05 108.752 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -137.63 171.96 13.67 Favored 'General case' 0 N--CA 1.43 -1.471 0 N-CA-C 107.762 -1.199 . . . . 1.02 107.762 -175.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.556 ' O ' HG13 ' A' ' 7' ' ' ILE . 9.3 m -84.7 123.0 29.89 Favored 'General case' 0 N--CA 1.418 -2.035 0 N-CA-C 107.411 -1.329 . . . . 1.05 107.411 -176.695 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -50.38 -39.46 46.84 Favored 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 113.396 0.888 . . . . 1.25 113.396 -173.333 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -66.51 -29.99 70.21 Favored 'General case' 0 C--N 1.294 -1.814 0 CA-C-N 115.873 -0.603 . . . . 2.3 110.53 -176.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -78.02 -31.61 50.61 Favored 'General case' 0 N--CA 1.44 -0.934 0 N-CA-C 108.46 -0.941 . . . . 1.92 108.46 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.556 HG13 ' O ' ' A' ' 3' ' ' THR . 15.5 mt -73.48 -50.99 27.13 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.202 0 N-CA-C 108.293 -1.003 . . . . 0.29 108.293 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.447 HG21 HD12 ' A' ' 28' ' ' LEU . 67.9 t -57.09 -40.69 74.76 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.172 0 CA-C-N 115.886 -0.597 . . . . 0.32 110.765 176.446 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.2 -37.38 87.25 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.111 0.481 . . . . 0.32 110.09 175.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.17 -39.57 96.24 Favored Glycine 0 C--O 1.204 -1.723 0 N-CA-C 110.304 -1.119 . . . . 0.31 110.304 178.268 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.484 ' O ' HG23 ' A' ' 15' ' ' VAL . 96.0 mt -66.01 -44.39 84.88 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 110.017 -0.364 . . . . 0.29 110.017 175.423 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.38 -42.72 78.35 Favored 'General case' 0 C--O 1.239 0.531 0 C-N-CA 123.766 0.826 . . . . 0.24 112.053 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -65.31 -36.15 83.17 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-O 121.206 0.526 . . . . 1.46 111.771 178.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 97.0 mt -67.21 -49.06 76.09 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.431 0 CA-C-N 115.338 -0.846 . . . . 0.41 109.249 177.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.639 HG12 ' HB ' ' A' ' 21' ' ' ILE . 94.5 t -57.73 -42.14 81.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.693 -0.685 . . . . 0.29 110.751 178.568 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -65.2 -33.04 75.06 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-O 121.342 0.591 . . . . 0.64 111.924 -179.26 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -76.33 -56.79 4.31 Favored 'General case' 0 C--N 1.304 -1.408 0 CA-C-N 115.543 -0.753 . . . . 2.0 109.039 -179.694 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.848 HG22 ' HB3' ' A' ' 42' ' ' SER . 79.8 mt -79.62 -52.37 14.99 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.141 0 N-CA-C 113.164 0.801 . . . . 0.28 113.164 -172.052 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.821 ' HB2' HG13 ' A' ' 38' ' ' VAL . . . -80.94 -36.78 30.54 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 121.147 0.498 . . . . 0.34 110.592 -177.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.53 31.66 12.96 Favored Glycine 0 N--CA 1.441 -0.993 0 N-CA-C 110.405 -1.078 . . . . 0.46 110.405 -176.081 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.639 ' HB ' HG12 ' A' ' 15' ' ' VAL . 42.8 mm -110.92 132.0 21.86 Favored Pre-proline 0 C--N 1.313 -1.017 0 N-CA-C 109.815 -0.439 . . . . 0.42 109.815 -178.336 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 21' ' ' ILE . 6.7 Cg_exo -35.48 129.47 0.3 Allowed 'Trans proline' 0 N--CA 1.453 -0.863 0 C-N-CA 125.197 3.931 . . . . 0.41 114.022 174.115 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 74.5 t -60.45 -24.48 31.41 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 114.917 -1.038 . . . . 0.69 108.531 176.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -88.07 -17.75 30.39 Favored 'General case' 0 N--CA 1.421 -1.915 0 CA-C-N 114.477 -1.238 . . . . 2.34 113.122 -178.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -83.84 -14.28 51.63 Favored 'General case' 0 N--CA 1.486 1.337 0 CA-C-O 122.569 1.175 . . . . 0.69 108.634 -178.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.712 HG13 HG11 ' A' ' 69' ' ' VAL . 62.3 t -78.5 73.27 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.343 0 CA-C-N 113.424 -1.716 . . . . 0.4 108.939 178.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.597 ' O ' HG21 ' A' ' 69' ' ' VAL . 43.0 mmtm -85.14 159.55 20.12 Favored 'General case' 0 N--CA 1.417 -2.089 0 N-CA-C 106.45 -1.685 . . . . 1.67 106.45 175.623 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.449 ' O ' HD23 ' A' ' 28' ' ' LEU . 8.0 tt -72.64 -11.15 60.52 Favored 'General case' 0 C--N 1.303 -1.434 0 N-CA-C 112.894 0.701 . . . . 1.08 112.894 -170.016 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -97.11 0.19 48.09 Favored 'General case' 0 C--N 1.274 -2.686 0 CA-C-N 115.564 -0.744 . . . . 2.11 109.358 -177.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.525 ' O ' HG22 ' A' ' 69' ' ' VAL . 45.1 mmtm -90.27 125.94 35.67 Favored 'General case' 0 C--N 1.303 -1.427 0 CA-C-O 121.744 0.783 . . . . 1.02 112.583 -172.411 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.621 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 3.3 m -92.01 112.74 24.79 Favored 'General case' 0 N--CA 1.402 -2.831 0 N-CA-C 106.606 -1.628 . . . . 1.16 106.606 174.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.621 ' HA ' HD12 ' A' ' 36' ' ' LEU . 86.5 m-85 -28.18 -84.6 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 115.056 1.502 . . . . 0.36 115.056 179.196 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.682 HG23 ' HB ' ' A' ' 38' ' ' VAL . 0.8 OUTLIER -85.37 64.26 8.55 Favored 'General case' 0 C--N 1.307 -1.278 0 N-CA-C 114.164 1.172 . . . . 0.47 114.164 -179.875 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.429 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 17.2 t70 -170.46 -51.22 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 107.565 -1.272 . . . . 0.73 107.565 177.347 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.427 ' HB3' ' HD2' ' A' ' 30' ' ' LYS . 34.5 m-20 -95.26 -55.76 2.95 Favored 'General case' 0 C--N 1.307 -1.276 0 CA-C-N 114.681 -1.145 . . . . 1.46 110.72 179.286 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.621 HD12 ' HA ' ' A' ' 32' ' ' PHE . 96.3 mt -72.86 -44.0 61.89 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 112.102 0.408 . . . . 0.58 112.102 -176.737 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.7 t70 76.24 92.45 0.07 Allowed 'General case' 0 CA--C 1.505 -0.767 0 O-C-N 124.935 1.397 . . . . 1.14 109.92 -174.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.821 HG13 ' HB2' ' A' ' 19' ' ' ALA . 93.4 t -96.11 -89.27 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.298 -1.666 0 CA-C-N 114.914 -1.039 . . . . 1.79 109.44 -177.677 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.736 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 14.5 t70 176.29 179.74 0.18 Allowed 'General case' 0 C--N 1.29 -2.009 0 N-CA-C 103.618 -2.734 . . . . 0.79 103.618 -179.062 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.81 ' HA ' ' H37' ' A' ' 101' ' ' SHW . 5.7 t -99.36 -35.09 10.04 Favored 'General case' 0 C--N 1.26 -3.306 0 N-CA-C 108.778 -0.823 . . . . 1.23 108.778 -174.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 91.0 mt -86.88 -38.31 16.87 Favored 'General case' 0 C--N 1.31 -1.14 0 CA-C-O 122.265 1.031 . . . . 1.02 109.216 -178.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.848 ' HB3' HG22 ' A' ' 18' ' ' ILE . 46.5 m -71.14 -14.39 62.27 Favored 'General case' 0 N--CA 1.433 -1.292 0 CA-C-N 113.91 -1.496 . . . . 1.02 111.064 -177.084 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.416 ' HB2' ' HE2' ' A' ' 43' ' ' MET . 21.1 tpp -62.15 -47.36 84.86 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.73 -0.668 . . . . 0.55 110.675 177.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.425 ' O ' HG23 ' A' ' 48' ' ' VAL . 46.8 t -71.88 -23.07 21.81 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.4 0 CA-C-N 115.62 -0.718 . . . . 0.56 110.492 -177.287 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.617 ' HB2' HG21 ' A' ' 18' ' ' ILE . 31.5 mm-40 -69.97 -36.45 75.24 Favored 'General case' 0 N--CA 1.439 -1.006 0 N-CA-C 108.753 -0.832 . . . . 2.08 108.753 177.702 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 42' ' ' SER . 99.2 t -62.05 -46.25 96.9 Favored 'Isoleucine or valine' 0 C--N 1.339 0.12 0 N-CA-C 108.591 -0.892 . . . . 0.52 108.591 177.274 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.587 HG22 HG21 ' A' ' 63' ' ' VAL . 48.7 t -53.77 -63.4 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.571 0 CA-C-N 115.365 -0.834 . . . . 0.38 109.287 176.692 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 44' ' ' VAL . 85.4 t -44.9 -54.91 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 C-N-CA 123.954 0.902 . . . . 0.58 112.071 176.031 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.79 -35.52 80.14 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.384 0.512 . . . . 0.42 112.384 -177.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.0 -37.57 83.0 Favored 'General case' 0 C--O 1.243 0.73 0 CA-C-O 120.565 0.221 . . . . 0.38 110.752 178.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.439 ' HG2' ' H ' ' A' ' 58' ' ' ILE . 39.4 mt-10 -59.47 -43.7 93.17 Favored 'General case' 0 C--O 1.216 -0.671 0 CA-C-N 116.0 -0.545 . . . . 1.36 110.241 178.704 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -75.15 -38.24 61.03 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 116.204 -0.453 . . . . 2.09 111.348 -179.021 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.488 ' NE ' ' HA ' ' A' ' 53' ' ' ARG . 1.6 tpm_? -65.33 -35.42 80.93 Favored 'General case' 0 CA--C 1.502 -0.901 0 CA-C-O 121.149 0.5 . . . . 2.75 111.319 -170.396 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.463 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 39.3 m-85 -111.37 0.42 16.62 Favored 'General case' 0 C--N 1.291 -1.977 0 CA-C-N 115.512 -0.767 . . . . 0.73 111.038 -175.696 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.7 t70 52.94 64.64 1.78 Allowed 'General case' 0 CA--C 1.511 -0.541 0 C-N-CA 125.149 1.38 . . . . 2.02 110.3 -173.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.408 HG12 ' HA ' ' A' ' 80' ' ' GLN . 25.7 m -134.13 -166.89 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.284 -2.274 0 CA-C-N 114.402 -1.272 . . . . 1.61 108.185 -178.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 23.8 tptp -143.09 119.65 11.05 Favored 'General case' 0 N--CA 1.415 -2.204 0 N-CA-C 106.824 -1.547 . . . . 1.67 106.824 178.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.715 HD11 HG12 ' A' ' 76' ' ' ILE . 21.4 mt -141.76 96.26 6.83 Favored Pre-proline 0 C--N 1.301 -1.506 0 N-CA-C 106.258 -1.756 . . . . 0.49 106.258 -177.116 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.435 ' HD2' ' HB2' ' A' ' 62' ' ' ASP . 72.6 Cg_endo -76.95 157.27 34.63 Favored 'Trans proline' 0 N--CA 1.435 -1.929 0 C-N-CA 121.173 1.248 . . . . 0.62 111.857 -178.072 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.52 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 16.1 t70 -46.53 -26.35 0.86 Allowed 'General case' 0 C--O 1.208 -1.087 0 C-N-CA 125.441 1.496 . . . . 2.0 112.716 175.11 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -82.05 -47.4 12.67 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 112.089 0.403 . . . . 2.09 112.089 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.435 ' HB2' ' HD2' ' A' ' 59' ' ' PRO . 18.3 m-20 -78.94 -20.0 50.33 Favored 'General case' 0 CA--C 1.486 -1.497 0 O-C-N 122.185 -0.322 . . . . 1.58 111.559 -177.428 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.648 HG22 ' H6 ' ' A' ' 101' ' ' SHW . 3.0 p -70.38 -23.08 24.35 Favored 'Isoleucine or valine' 0 C--O 1.189 -2.112 0 CA-C-N 115.567 -0.742 . . . . 0.69 110.248 -179.656 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.52 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 66.0 mttm -62.21 -2.38 0.96 Allowed 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.539 1.136 . . . . 2.44 113.729 -175.498 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -115.26 10.61 15.99 Favored 'General case' 0 C--N 1.287 -2.109 0 CA-C-O 121.692 0.758 . . . . 1.94 109.075 -176.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.728 HD13 ' HA ' ' A' ' 72' ' ' ALA . 38.7 mt -123.06 39.73 3.88 Favored 'General case' 0 C--O 1.216 -0.705 0 O-C-N 121.784 -0.572 . . . . 1.67 111.83 -173.446 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.73 -23.0 0.1 Allowed 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 118.2 2.667 . . . . 3.18 118.2 -176.099 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.621 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 68.3 p -110.25 167.69 10.0 Favored 'General case' 0 CA--C 1.503 -0.856 0 CA-C-N 119.239 0.927 . . . . 0.51 111.206 177.002 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.712 HG11 HG13 ' A' ' 26' ' ' VAL . 2.8 m -60.81 -42.84 93.91 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.49 0 CA-C-N 115.243 -0.889 . . . . 0.35 109.318 171.373 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -59.4 -45.79 94.92 Favored Glycine 0 N--CA 1.433 -1.509 0 CA-C-N 115.414 -0.812 . . . . 0.3 112.276 175.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.524 ' HB3' ' HA ' ' A' ' 66' ' ' LEU . 9.8 m-20 -65.85 -38.23 88.3 Favored 'General case' 0 CA--C 1.502 -0.901 0 CA-C-N 117.212 0.506 . . . . 1.79 110.969 -178.611 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.728 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -59.99 -58.68 7.51 Favored 'General case' 0 N--CA 1.447 -0.592 0 N-CA-C 108.995 -0.743 . . . . 0.29 108.995 175.495 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.51 HG23 ' HB ' ' A' ' 7' ' ' ILE . 93.1 m -48.55 -46.3 38.68 Favored 'General case' 0 C--O 1.205 -1.261 0 C-N-CA 124.51 1.124 . . . . 0.31 111.954 174.632 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.454 ' HD3' ' HA ' ' A' ' 71' ' ' ASP . 82.2 tttt -53.96 -33.02 55.73 Favored 'General case' 0 C--N 1.297 -1.7 0 C-N-CA 126.63 1.972 . . . . 2.93 111.294 177.497 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.426 ' HB2' ' CD2' ' A' ' 66' ' ' LEU . 65.1 t80 -85.41 -47.82 9.6 Favored 'General case' 0 C--O 1.203 -1.366 0 N-CA-C 108.369 -0.975 . . . . 0.53 108.369 178.254 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.715 HG12 HD11 ' A' ' 58' ' ' ILE . 76.9 mt -60.27 -50.3 80.82 Favored 'Isoleucine or valine' 0 C--O 1.202 -1.442 0 C-N-CA 124.701 1.2 . . . . 0.27 111.385 -177.402 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.1 tt -54.05 -35.83 62.42 Favored 'General case' 0 N--CA 1.482 1.143 0 CA-C-O 121.167 0.508 . . . . 1.15 109.99 178.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -83.03 -38.56 22.4 Favored 'General case' 0 C--N 1.298 -1.657 0 CA-C-N 114.821 -1.082 . . . . 0.67 111.577 -178.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 39.2 m-70 -91.78 5.7 48.87 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 114.676 1.362 . . . . 1.53 114.676 -175.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.516 ' NE2' HG22 ' A' ' 76' ' ' ILE . 84.6 mm-40 -44.19 145.07 0.83 Allowed 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.667 0.787 . . . . 0.89 111.148 173.736 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -0.897 0 N-CA-C 109.291 -0.633 . . . . 2.36 109.291 178.198 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' SHW . . . . . 0.81 ' H37' ' HA ' ' A' ' 40' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.461 ' HA ' ' HG3' ' A' ' 80' ' ' GLN . . . . . . . . 0 CA--C 1.514 -0.407 0 N-CA-C 109.436 -0.579 . . . . 2.05 109.436 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -127.86 174.17 9.37 Favored 'General case' 0 CA--C 1.489 -1.384 0 N-CA-C 106.259 -1.756 . . . . 1.02 106.259 -178.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.535 ' O ' HG13 ' A' ' 7' ' ' ILE . 1.9 m -74.6 126.31 30.53 Favored 'General case' 0 C--N 1.28 -2.453 0 N-CA-C 107.457 -1.312 . . . . 1.05 107.457 178.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -53.94 -37.08 63.5 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 112.341 0.497 . . . . 1.25 112.341 -174.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -68.58 -29.04 67.49 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-N 115.782 -0.645 . . . . 2.3 110.161 -177.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -72.15 -34.08 68.24 Favored 'General case' 0 C--N 1.314 -0.968 0 N-CA-C 108.141 -1.059 . . . . 1.92 108.141 -179.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.714 ' HB ' HG23 ' A' ' 73' ' ' THR . 15.4 mt -72.66 -52.58 22.44 Favored 'Isoleucine or valine' 0 N--CA 1.427 -1.597 0 CA-C-N 114.425 -1.261 . . . . 0.29 107.801 179.565 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.3 t -52.72 -43.23 43.97 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.822 0 CA-C-N 115.606 -0.724 . . . . 0.32 110.733 176.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.44 -39.38 93.71 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 122.618 0.367 . . . . 0.32 111.135 177.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.26 -42.29 97.91 Favored Glycine 0 N--CA 1.438 -1.188 0 N-CA-C 110.096 -1.202 . . . . 0.31 110.096 178.03 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.504 ' HA ' HD12 ' A' ' 14' ' ' ILE . 89.4 mt -65.37 -43.65 90.11 Favored 'General case' 0 C--N 1.309 -1.156 0 N-CA-C 110.179 -0.304 . . . . 0.29 110.179 176.279 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.432 ' HA ' HG11 ' A' ' 26' ' ' VAL . . . -55.11 -43.09 73.74 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 123.886 0.875 . . . . 0.24 111.809 -179.339 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -69.1 -35.57 76.59 Favored 'General case' 0 C--O 1.24 0.598 0 C-N-CA 119.771 -0.772 . . . . 1.46 112.884 178.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.504 HD12 ' HA ' ' A' ' 11' ' ' LEU . 93.6 mt -62.45 -51.61 70.14 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.133 0 N-CA-C 108.479 -0.934 . . . . 0.41 108.479 175.713 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.654 HG12 ' HB ' ' A' ' 21' ' ' ILE . 94.2 t -61.1 -42.62 93.93 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.065 0 CA-C-N 114.912 -1.04 . . . . 0.29 110.816 179.722 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.406 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 4.4 t-20 -60.36 -33.65 72.74 Favored 'General case' 0 C--N 1.309 -1.161 0 CA-C-O 121.386 0.613 . . . . 0.64 110.411 179.405 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -79.33 -64.33 1.21 Allowed 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 115.269 -0.878 . . . . 2.0 111.542 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.511 HG21 ' HB2' ' A' ' 45' ' ' GLU . 81.3 mt -74.17 -52.25 20.91 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.204 0 CA-C-N 115.864 -0.607 . . . . 0.28 111.559 -173.323 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.564 ' HA ' HG21 ' A' ' 38' ' ' VAL . . . -78.21 -37.74 44.79 Favored 'General case' 0 C--N 1.307 -1.25 0 CA-C-N 115.909 -0.587 . . . . 0.34 111.411 -176.184 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.26 32.61 22.44 Favored Glycine 0 C--O 1.242 0.622 0 N-CA-C 110.546 -1.021 . . . . 0.46 110.546 -177.234 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.654 ' HB ' HG12 ' A' ' 15' ' ' VAL . 49.3 mm -112.31 131.2 22.69 Favored Pre-proline 0 C--N 1.31 -1.116 0 N-CA-C 108.628 -0.878 . . . . 0.42 108.628 -179.412 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.458 ' HD2' ' HA ' ' A' ' 21' ' ' ILE . 2.7 Cg_exo -35.13 128.3 0.25 Allowed 'Trans proline' 0 C--O 1.237 0.467 1 C-N-CA 125.83 4.353 . . . . 0.41 115.282 175.807 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.425 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 92.6 t -56.6 -32.89 38.42 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.458 0 C-N-CA 124.575 1.15 . . . . 0.69 108.505 176.09 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.256 0.8 OUTLIER -85.55 -24.07 27.4 Favored 'General case' 0 N--CA 1.421 -1.906 0 CA-C-N 115.099 -0.955 . . . . 2.34 113.543 -177.385 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.55 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 28.3 t0 -81.57 -16.53 51.33 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-O 121.967 0.889 . . . . 0.69 109.094 178.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.687 HG13 HG11 ' A' ' 69' ' ' VAL . 54.7 t -76.86 78.55 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.323 0 CA-C-O 122.798 1.285 . . . . 0.4 107.792 172.707 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 58.0 mttp -85.21 -137.79 0.07 Allowed 'General case' 0 C--N 1.298 -1.663 0 CA-C-N 112.443 -2.162 . . . . 1.67 108.499 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.45 ' HA ' HG23 ' A' ' 69' ' ' VAL . 7.0 tt -121.85 -19.76 6.62 Favored 'General case' 0 C--N 1.309 -1.179 0 C-N-CA 119.738 -0.785 . . . . 1.08 110.858 -179.577 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -91.29 -1.07 57.74 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-O 123.001 1.381 . . . . 2.11 109.852 -178.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.638 ' O ' HG22 ' A' ' 69' ' ' VAL . 72.2 mmtt -85.31 110.0 18.77 Favored 'General case' 0 C--N 1.292 -1.916 0 N-CA-C 114.504 1.298 . . . . 1.02 114.504 -172.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.574 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 2.7 m -75.44 110.27 9.66 Favored 'General case' 0 N--CA 1.411 -2.385 0 N-CA-C 107.462 -1.31 . . . . 1.16 107.462 171.221 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.681 ' HA ' HD12 ' A' ' 36' ' ' LEU . 92.4 m-85 -36.52 -80.78 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.39 0 N-CA-C 114.104 1.15 . . . . 0.36 114.104 178.252 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.72 40.31 0.67 Allowed 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 114.857 1.429 . . . . 0.47 114.857 -179.614 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -155.24 -46.4 0.08 Allowed 'General case' 0 C--N 1.317 -0.813 0 C-N-CA 120.119 -0.632 . . . . 0.73 112.221 179.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -96.04 -50.51 4.82 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 108.078 -1.082 . . . . 1.46 108.078 178.125 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.681 HD12 ' HA ' ' A' ' 32' ' ' PHE . 96.8 mt -68.89 -49.09 61.19 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 109.056 -0.72 . . . . 0.58 109.056 177.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.0 t70 70.27 81.99 0.16 Allowed 'General case' 0 CA--C 1.508 -0.669 0 C-N-CA 124.685 1.194 . . . . 1.14 112.826 174.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.624 HG13 ' H ' ' A' ' 39' ' ' ASP . 1.4 p -93.03 -87.29 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.297 -1.674 0 CA-C-N 115.481 -0.781 . . . . 1.79 109.625 173.192 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.624 ' H ' HG13 ' A' ' 38' ' ' VAL . 11.8 t70 -173.63 173.5 3.37 Favored 'General case' 0 N--CA 1.425 -1.718 0 N-CA-C 105.123 -2.177 . . . . 0.79 105.123 177.666 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 38.5 t -85.67 -26.12 26.15 Favored 'General case' 0 C--N 1.257 -3.428 0 C-N-CA 124.113 0.965 . . . . 1.23 110.59 -171.233 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 56.4 mt -80.97 -43.02 20.3 Favored 'General case' 0 C--N 1.31 -1.146 0 CA-C-O 120.964 0.411 . . . . 1.02 111.829 -175.122 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -66.82 -22.03 66.02 Favored 'General case' 0 C--N 1.311 -1.104 0 C-N-CA 123.925 0.89 . . . . 1.02 110.414 -175.467 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.426 ' SD ' ' H2 ' ' A' ' 101' ' ' SHW . 25.0 tpp -56.47 -41.05 75.9 Favored 'General case' 0 N--CA 1.441 -0.891 0 CA-C-N 114.684 -1.144 . . . . 0.55 113.067 -177.724 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 48.9 t -68.83 -29.21 42.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 C-N-CA 120.842 -0.343 . . . . 0.56 110.698 -177.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.511 ' HB2' HG21 ' A' ' 18' ' ' ILE . 19.0 mm-40 -72.99 -34.25 66.31 Favored 'General case' 0 N--CA 1.426 -1.628 0 N-CA-C 109.316 -0.624 . . . . 2.08 109.316 179.536 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 66.4 t -61.85 -47.03 95.14 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.239 0 N-CA-C 108.484 -0.932 . . . . 0.52 108.484 176.171 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.659 HG13 HG21 ' A' ' 63' ' ' VAL . 90.3 t -55.34 -64.4 0.47 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 O-C-N 123.914 0.759 . . . . 0.38 109.691 176.609 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.496 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 89.6 t -51.23 -42.62 26.71 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.229 0 C-N-CA 123.523 0.729 . . . . 0.58 112.945 178.647 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -68.33 -38.91 82.0 Favored 'General case' 0 C--N 1.318 -0.765 0 O-C-N 121.801 -0.562 . . . . 0.42 111.367 178.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.6 -36.18 79.97 Favored 'General case' 0 C--O 1.247 0.949 0 CA-C-O 120.785 0.326 . . . . 0.38 110.21 178.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.662 ' HG2' ' H ' ' A' ' 58' ' ' ILE . 54.3 mt-10 -53.56 -55.76 22.83 Favored 'General case' 0 N--CA 1.441 -0.877 0 CA-C-N 115.24 -0.891 . . . . 1.36 109.939 176.759 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -71.36 -35.41 71.12 Favored 'General case' 0 C--N 1.321 -0.668 0 O-C-N 123.835 0.709 . . . . 2.09 111.921 -178.189 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 5.2 tpp85 -64.83 -34.15 77.69 Favored 'General case' 0 CA--C 1.503 -0.839 0 CA-C-O 121.544 0.688 . . . . 2.75 110.812 -169.125 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.458 ' CD2' HD13 ' A' ' 76' ' ' ILE . 50.9 m-85 -115.9 -2.16 12.4 Favored 'General case' 0 C--N 1.296 -1.761 0 CA-C-N 115.036 -0.984 . . . . 0.73 110.001 -179.264 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 23.7 t0 56.88 23.35 8.05 Favored 'General case' 0 N--CA 1.49 1.534 0 C-N-CA 125.323 1.449 . . . . 2.02 110.382 -176.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.467 HG13 HG13 ' A' ' 58' ' ' ILE . 6.6 p -81.63 -27.9 10.05 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.076 0 CA-C-N 114.42 -1.263 . . . . 1.61 111.331 -173.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 24.4 tptp 56.53 86.99 0.06 Allowed 'General case' 0 C--O 1.249 1.066 0 C-N-CA 124.782 1.233 . . . . 1.67 111.791 -177.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.662 ' H ' ' HG2' ' A' ' 51' ' ' GLU . 25.2 mt -105.25 103.7 43.63 Favored Pre-proline 0 C--N 1.314 -0.94 0 N-CA-C 107.824 -1.176 . . . . 0.49 107.824 178.415 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -68.34 149.19 75.16 Favored 'Trans proline' 0 C--O 1.262 1.703 0 C-N-CA 121.033 1.155 . . . . 0.62 110.23 178.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.435 ' HA ' ' HB ' ' A' ' 63' ' ' VAL . 4.7 p-10 -49.37 -27.04 3.62 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.05 0.54 . . . . 2.0 111.633 176.494 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -56.4 -53.39 57.95 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.364 1.066 . . . . 2.09 112.256 175.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -74.87 -26.22 59.52 Favored 'General case' 0 N--CA 1.492 1.658 0 CA-C-O 121.77 0.795 . . . . 1.58 110.479 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.848 HG13 ' H5 ' ' A' ' 101' ' ' SHW . 3.2 t -60.44 -23.03 26.97 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.623 0 CA-C-N 114.622 -1.172 . . . . 0.69 111.632 175.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -69.86 -8.67 50.43 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-O 120.904 0.383 . . . . 2.44 111.399 178.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -108.66 -14.94 14.52 Favored 'General case' 0 C--N 1.315 -0.931 0 N-CA-C 108.181 -1.044 . . . . 1.94 108.181 -178.275 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.77 ' HA ' ' OD2' ' A' ' 71' ' ' ASP . 52.0 mt -91.74 140.77 29.37 Favored 'General case' 0 N--CA 1.428 -1.543 0 N-CA-C 106.608 -1.626 . . . . 1.67 106.608 178.384 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.98 -21.87 0.95 Allowed 'General case' 0 C--N 1.267 -3.012 0 N-CA-C 113.152 0.797 . . . . 3.18 113.152 178.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.574 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 19.1 p -117.99 165.94 13.11 Favored 'General case' 0 N--CA 1.431 -1.399 0 C-N-CA 119.995 -0.682 . . . . 0.51 111.263 178.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.687 HG11 HG13 ' A' ' 26' ' ' VAL . 2.1 m -58.46 -44.34 88.7 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.238 0 CA-C-N 114.9 -1.046 . . . . 0.35 110.473 173.501 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -70.54 -31.96 67.9 Favored Glycine 0 N--CA 1.43 -1.764 0 CA-C-N 115.879 -0.6 . . . . 0.3 112.252 179.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.77 ' OD2' ' HA ' ' A' ' 66' ' ' LEU . 34.9 t0 -69.44 -43.92 72.35 Favored 'General case' 0 CA--C 1.512 -0.506 0 N-CA-C 108.902 -0.777 . . . . 1.79 108.902 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.534 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -57.43 -56.06 26.73 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 115.428 -0.805 . . . . 0.29 108.859 175.795 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.714 HG23 ' HB ' ' A' ' 7' ' ' ILE . 54.8 m -47.64 -47.34 29.25 Favored 'General case' 0 C--O 1.195 -1.788 0 C-N-CA 124.235 1.014 . . . . 0.31 112.367 173.549 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.403 ' HD2' HD23 ' A' ' 77' ' ' LEU . 20.2 tptm -60.79 -36.78 79.86 Favored 'General case' 0 C--N 1.318 -0.768 0 C-N-CA 122.767 0.427 . . . . 2.93 110.988 -178.247 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.469 ' HB2' HD21 ' A' ' 66' ' ' LEU . 67.1 t80 -70.04 -41.62 73.99 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 109.114 -0.699 . . . . 0.53 109.114 178.275 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.658 HG12 HD11 ' A' ' 58' ' ' ILE . 66.2 mt -67.44 -44.44 86.85 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.643 0 CA-C-N 115.42 -0.809 . . . . 0.27 109.364 179.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.403 HD23 ' HD2' ' A' ' 74' ' ' LYS . 42.8 tp -50.05 -40.11 44.12 Favored 'General case' 0 C--N 1.322 -0.613 0 C-N-CA 124.828 1.251 . . . . 1.15 110.02 176.125 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -83.51 -37.67 22.78 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-N 114.693 -1.14 . . . . 0.67 111.689 -177.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -94.65 5.5 51.67 Favored 'General case' 0 C--N 1.308 -1.2 0 N-CA-C 115.061 1.504 . . . . 1.53 115.061 -174.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.483 ' NE2' HG22 ' A' ' 76' ' ' ILE . 80.7 mm-40 -37.79 134.09 0.76 Allowed 'General case' 0 N--CA 1.493 1.676 0 C-N-CA 124.775 1.23 . . . . 0.89 113.631 179.36 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.434 -1.242 0 N-CA-C 108.509 -0.923 . . . . 2.36 108.509 177.723 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' SHW . . . . . 0.848 ' H5 ' HG13 ' A' ' 63' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.461 ' HA ' ' OE1' ' A' ' 80' ' ' GLN . . . . . . . . 0 CA--C 1.513 -0.476 0 N-CA-C 108.918 -0.771 . . . . 2.05 108.918 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -153.18 159.49 42.69 Favored 'General case' 0 CA--C 1.479 -1.775 0 N-CA-C 108.662 -0.866 . . . . 1.02 108.662 -178.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.5 m -73.27 135.37 44.44 Favored 'General case' 0 N--CA 1.414 -2.24 0 N-CA-C 106.521 -1.659 . . . . 1.05 106.521 177.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.619 ' HA ' HD12 ' A' ' 7' ' ' ILE . 24.6 mt-30 -52.07 -25.9 9.76 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 113.402 0.89 . . . . 1.25 113.402 -177.302 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -64.62 -38.75 92.07 Favored 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 116.028 -0.533 . . . . 2.3 109.695 177.392 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -81.81 -25.16 35.44 Favored 'General case' 0 N--CA 1.429 -1.505 0 CA-C-N 115.886 -0.597 . . . . 1.92 110.053 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.619 HD12 ' HA ' ' A' ' 4' ' ' GLN . 49.8 mt -66.42 -59.58 3.74 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.902 0 N-CA-C 108.021 -1.103 . . . . 0.29 108.021 176.332 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.558 HG21 HD12 ' A' ' 28' ' ' LEU . 98.0 t -55.65 -37.33 45.85 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.852 0 CA-C-N 116.268 -0.424 . . . . 0.32 110.615 175.662 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.07 -42.81 96.87 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 120.883 0.373 . . . . 0.32 110.361 177.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.43 ' HA2' ' HG2' ' A' ' 13' ' ' GLU . . . -62.69 -43.84 98.38 Favored Glycine 0 C--O 1.211 -1.294 0 N-CA-C 110.64 -0.984 . . . . 0.31 110.64 177.013 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.464 ' O ' HG23 ' A' ' 15' ' ' VAL . 85.4 mt -58.36 -47.28 84.31 Favored 'General case' 0 N--CA 1.435 -1.214 0 N-CA-C 110.076 -0.342 . . . . 0.29 110.076 176.028 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.93 -44.56 86.99 Favored 'General case' 0 C--N 1.319 -0.737 0 C-N-CA 123.851 0.86 . . . . 0.24 112.055 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.43 ' HG2' ' HA2' ' A' ' 10' ' ' GLY . 13.1 pt-20 -67.12 -38.13 85.08 Favored 'General case' 0 C--O 1.243 0.752 0 C-N-CA 120.748 -0.381 . . . . 1.46 111.555 -179.29 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 90.9 mt -64.41 -47.17 90.59 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.15 0 CA-C-N 115.572 -0.74 . . . . 0.41 109.503 176.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 11' ' ' LEU . 77.3 t -57.12 -44.42 83.19 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.626 0 CA-C-N 116.051 -0.522 . . . . 0.29 110.646 176.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -63.82 -33.77 76.42 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 122.178 -0.326 . . . . 0.64 111.711 -179.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -79.89 -41.66 25.74 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 116.258 -0.428 . . . . 2.0 112.036 -179.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.806 HG22 ' HB3' ' A' ' 42' ' ' SER . 79.2 mt -92.26 -53.32 8.83 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.938 0 O-C-N 122.116 -0.365 . . . . 0.28 111.979 -177.129 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.781 ' HB2' HG13 ' A' ' 38' ' ' VAL . . . -75.57 -39.08 58.65 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.079 0.466 . . . . 0.34 110.181 -178.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 92.58 16.46 49.06 Favored Glycine 0 C--O 1.239 0.44 0 CA-C-N 115.385 -0.825 . . . . 0.46 111.187 -178.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.465 ' HA ' ' HD2' ' A' ' 22' ' ' PRO . 49.3 mm -99.68 135.46 20.55 Favored Pre-proline 0 C--N 1.312 -1.055 0 CA-C-N 115.212 -0.494 . . . . 0.42 109.907 -176.284 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.465 ' HD2' ' HA ' ' A' ' 21' ' ' ILE . 3.9 Cg_exo -34.8 128.12 0.22 Allowed 'Trans proline' 0 C--N 1.354 0.848 1 C-N-CA 125.444 4.096 . . . . 0.41 115.136 175.377 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 87.8 t -60.58 -32.91 52.72 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.497 0 CA-C-N 114.151 -1.386 . . . . 0.69 107.347 177.47 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.492 ' O ' ' HE2' ' A' ' 27' ' ' LYS . 43.8 mt-10 -92.67 5.25 51.71 Favored 'General case' 0 N--CA 1.411 -2.375 0 CA-C-N 113.49 -1.686 . . . . 2.34 112.863 -173.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.418 ' O ' ' HE3' ' A' ' 30' ' ' LYS . 33.2 t70 -102.04 -12.75 17.91 Favored 'General case' 0 C--N 1.311 -1.07 0 N-CA-C 107.379 -1.341 . . . . 0.69 107.379 171.699 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.462 HG22 HD13 ' A' ' 36' ' ' LEU . 89.3 t -80.09 72.13 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.904 0 CA-C-O 122.839 1.304 . . . . 0.4 108.985 178.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.719 ' O ' HG21 ' A' ' 69' ' ' VAL . 76.0 mmtt -84.3 168.29 15.79 Favored 'General case' 0 N--CA 1.417 -2.099 0 CA-C-N 113.468 -1.696 . . . . 1.67 107.27 176.699 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.558 HD12 HG21 ' A' ' 8' ' ' VAL . 7.5 tt -80.89 -4.4 54.72 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 113.129 0.788 . . . . 1.08 113.129 -169.725 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.0 p-10 -110.69 18.03 20.06 Favored 'General case' 0 C--N 1.275 -2.668 0 CA-C-O 121.813 0.815 . . . . 2.11 108.823 -179.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.582 ' O ' HG22 ' A' ' 69' ' ' VAL . 72.6 mmtt -97.7 141.98 30.05 Favored 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 115.284 -0.871 . . . . 1.02 112.263 -178.473 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.1 t -102.15 118.17 36.33 Favored 'General case' 0 C--N 1.294 -1.812 0 N-CA-C 107.347 -1.353 . . . . 1.16 107.347 170.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.754 ' HA ' HD12 ' A' ' 36' ' ' LEU . 93.0 m-85 -34.22 -82.63 0.01 OUTLIER 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 114.137 1.162 . . . . 0.36 114.137 175.335 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.595 HG23 ' HB ' ' A' ' 38' ' ' VAL . 0.4 OUTLIER -80.0 49.41 1.08 Allowed 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 115.407 1.632 . . . . 0.47 115.407 -178.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -161.12 -64.59 0.06 Allowed 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 116.01 -0.541 . . . . 0.73 109.685 177.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -77.8 -46.3 21.98 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 115.642 -0.708 . . . . 1.46 110.631 -179.292 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.754 HD12 ' HA ' ' A' ' 32' ' ' PHE . 84.1 mt -80.85 -47.13 14.23 Favored 'General case' 0 C--N 1.31 -1.144 0 CA-C-N 115.576 -0.738 . . . . 0.58 109.91 -179.352 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.7 t70 78.34 90.09 0.06 Allowed 'General case' 0 CA--C 1.506 -0.741 0 C-N-CA 126.435 1.894 . . . . 1.14 110.057 -177.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.781 HG13 ' HB2' ' A' ' 19' ' ' ALA . 94.2 t -92.19 -92.08 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.297 -1.696 0 CA-C-N 114.489 -1.232 . . . . 1.79 109.012 -177.525 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.498 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 10.9 t70 171.27 175.27 0.07 Allowed 'General case' 0 C--N 1.294 -1.815 0 N-CA-C 103.371 -2.826 . . . . 0.79 103.371 -178.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.557 ' HA ' ' H37' ' A' ' 101' ' ' SHW . 8.8 t -95.4 -32.0 13.13 Favored 'General case' 0 C--N 1.268 -2.967 0 N-CA-C 108.388 -0.967 . . . . 1.23 108.388 -176.03 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 83.9 mt -83.9 -36.92 23.0 Favored 'General case' 0 C--N 1.306 -1.307 0 N-CA-C 108.734 -0.839 . . . . 1.02 108.734 -178.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.806 ' HB3' HG22 ' A' ' 18' ' ' ILE . 19.3 m -70.86 -28.19 64.39 Favored 'General case' 0 N--CA 1.43 -1.46 0 CA-C-N 114.433 -1.258 . . . . 1.02 110.199 -178.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.488 ' O ' HG23 ' A' ' 47' ' ' VAL . 26.6 tpp -56.5 -48.71 76.6 Favored 'General case' 0 CA--C 1.511 -0.535 0 O-C-N 123.473 0.483 . . . . 0.55 110.589 178.458 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 44.2 t -61.87 -33.18 56.7 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.726 0 CA-C-N 115.077 -0.965 . . . . 0.56 110.202 -178.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -74.13 -35.09 64.07 Favored 'General case' 0 N--CA 1.425 -1.723 0 N-CA-C 109.317 -0.623 . . . . 2.08 109.317 -178.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 42' ' ' SER . 77.3 t -63.69 -46.24 95.19 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.332 0 N-CA-C 108.598 -0.89 . . . . 0.52 108.598 176.143 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.662 HG22 HG21 ' A' ' 63' ' ' VAL . 88.7 t -53.75 -61.83 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 CA-C-N 115.833 -0.621 . . . . 0.38 109.424 176.338 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 76.1 t -49.42 -44.55 18.4 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.303 0 C-N-CA 123.128 0.571 . . . . 0.58 112.134 175.37 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.87 -29.26 69.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 122.071 -0.393 . . . . 0.42 112.008 -178.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.54 -37.45 86.75 Favored 'General case' 0 C--O 1.24 0.556 0 N-CA-C 109.698 -0.482 . . . . 0.38 109.698 177.236 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.622 ' HG2' ' H ' ' A' ' 58' ' ' ILE . 36.5 mt-10 -64.29 -40.31 95.7 Favored 'General case' 0 CA--C 1.506 -0.735 0 CA-C-O 121.865 0.841 . . . . 1.36 109.475 177.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -76.5 -27.65 56.13 Favored 'General case' 0 C--N 1.298 -1.658 0 CA-C-N 114.784 -1.098 . . . . 2.09 111.258 -176.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.9 tpm_? -88.04 -47.07 8.8 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-O 120.826 0.346 . . . . 2.75 110.846 -177.017 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.566 ' HB2' HG12 ' A' ' 56' ' ' VAL . 20.1 m-85 -97.0 -9.54 28.0 Favored 'General case' 0 C--N 1.317 -0.828 0 N-CA-C 112.409 0.522 . . . . 0.73 112.409 -173.179 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 25.3 t70 73.2 8.46 5.29 Favored 'General case' 0 N--CA 1.491 1.613 0 C-N-CA 125.137 1.375 . . . . 2.02 111.807 178.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.566 HG12 ' HB2' ' A' ' 54' ' ' PHE . 7.4 p -98.66 131.25 46.19 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.397 0 CA-C-N 115.444 -0.798 . . . . 1.61 109.839 179.259 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -77.25 113.22 14.78 Favored 'General case' 0 C--N 1.303 -1.454 0 CA-C-N 116.049 -0.523 . . . . 1.67 111.032 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.69 HD11 HG12 ' A' ' 76' ' ' ILE . 30.4 mt -129.86 100.34 19.33 Favored Pre-proline 0 C--N 1.305 -1.351 0 N-CA-C 107.057 -1.46 . . . . 0.49 107.057 179.188 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -88.14 161.37 7.15 Favored 'Trans proline' 0 N--CA 1.435 -1.955 0 C-N-CA 121.371 1.381 . . . . 0.62 111.557 178.054 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.613 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 3.9 t70 -48.49 -33.18 9.0 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.498 0.719 . . . . 2.0 111.75 173.082 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -54.06 -50.15 67.41 Favored 'General case' 0 C--N 1.317 -0.845 0 C-N-CA 123.232 0.613 . . . . 2.09 110.952 177.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -85.37 -30.83 23.33 Favored 'General case' 0 CA--C 1.483 -1.628 0 CA-C-N 115.681 -0.69 . . . . 1.58 111.508 -176.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.662 HG21 HG22 ' A' ' 47' ' ' VAL . 0.4 OUTLIER -59.19 -22.91 23.3 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.162 0 O-C-N 123.795 0.684 . . . . 0.69 111.641 -175.616 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.718 ' HA ' ' S1 ' ' A' ' 101' ' ' SHW . 60.8 mttm -67.75 -8.46 35.72 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 115.612 -0.722 . . . . 2.44 112.74 -179.125 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 -102.44 1.73 35.63 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 122.971 0.508 . . . . 1.94 110.577 -178.069 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.763 HD13 ' HA ' ' A' ' 72' ' ' ALA . 71.4 mt -97.99 -65.69 0.95 Allowed 'General case' 0 C--N 1.311 -1.066 0 C-N-CA 120.296 -0.562 . . . . 1.67 112.262 -173.601 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.81 ' H ' ' H3 ' ' A' ' 101' ' ' SHW 0.465 0.0 OUTLIER 61.42 -22.14 0.04 OUTLIER 'General case' 0 N--CA 1.505 2.304 0 N-CA-C 117.95 2.574 . . . . 3.18 117.95 179.409 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -128.33 157.18 41.7 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 121.793 -0.567 . . . . 0.51 111.529 175.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.719 HG21 ' O ' ' A' ' 27' ' ' LYS . 6.9 m -57.4 -51.45 69.5 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 C-N-CA 123.658 0.783 . . . . 0.35 112.585 -178.227 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.461 ' H ' HG23 ' A' ' 69' ' ' VAL . . . -61.6 -33.99 86.94 Favored Glycine 0 C--O 1.211 -1.294 0 N-CA-C 112.312 -0.315 . . . . 0.3 112.312 179.235 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -73.71 -37.31 65.2 Favored 'General case' 0 C--N 1.312 -1.057 0 C-N-CA 122.024 0.13 . . . . 1.79 110.733 179.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.763 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -58.96 -55.92 28.92 Favored 'General case' 0 CA--C 1.517 -0.318 0 N-CA-C 107.945 -1.131 . . . . 0.29 107.945 173.334 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.419 HG23 ' HB ' ' A' ' 7' ' ' ILE . 87.3 m -48.62 -42.14 33.16 Favored 'General case' 0 C--O 1.208 -1.123 0 C-N-CA 125.162 1.385 . . . . 0.31 112.129 173.065 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 45.8 tptt -60.69 -38.02 83.57 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 122.924 0.49 . . . . 2.93 110.519 -179.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -72.56 -44.79 61.62 Favored 'General case' 0 C--O 1.214 -0.795 0 N-CA-C 108.003 -1.11 . . . . 0.53 108.003 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.69 HG12 HD11 ' A' ' 58' ' ' ILE . 80.2 mt -59.55 -50.93 78.1 Favored 'Isoleucine or valine' 0 C--O 1.194 -1.826 0 C-N-CA 124.678 1.191 . . . . 0.27 110.051 178.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.557 ' HA ' HE21 ' A' ' 80' ' ' GLN . 3.3 tm? -59.49 -34.35 72.47 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-O 121.083 0.468 . . . . 1.15 110.796 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -79.6 -39.47 31.58 Favored 'General case' 0 C--N 1.289 -2.059 0 CA-C-O 121.738 0.78 . . . . 0.67 110.934 -179.181 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -90.82 5.22 49.3 Favored 'General case' 0 C--N 1.296 -1.733 0 CA-C-N 114.778 -1.101 . . . . 1.53 113.017 -176.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.557 HE21 ' HA ' ' A' ' 77' ' ' LEU . 59.5 mm-40 -36.97 127.67 0.9 Allowed 'General case' 0 C--O 1.244 0.785 0 N-CA-C 115.661 1.726 . . . . 0.89 115.661 178.716 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.414 -2.228 0 N-CA-C 106.902 -1.518 . . . . 2.36 106.902 173.036 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' SHW . . . . . 0.81 ' H3 ' ' H ' ' A' ' 67' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.511 -0.555 0 N-CA-C 108.981 -0.748 . . . . 2.05 108.981 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -110.19 144.19 39.2 Favored 'General case' 0 CA--C 1.479 -1.776 0 N-CA-C 106.422 -1.696 . . . . 1.02 106.422 179.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.604 ' O ' HG13 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -62.82 123.07 17.52 Favored 'General case' 0 C--N 1.287 -2.115 0 O-C-N 124.006 0.816 . . . . 1.05 108.879 -177.043 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -52.45 -34.0 46.82 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.391 0.677 . . . . 1.25 112.185 -175.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -71.42 -32.11 68.01 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 115.641 -0.709 . . . . 2.3 109.63 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -78.8 -30.42 45.46 Favored 'General case' 0 C--N 1.306 -1.304 0 CA-C-N 114.903 -1.044 . . . . 1.92 108.987 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.604 HG13 ' O ' ' A' ' 3' ' ' THR . 38.7 mt -67.66 -55.76 15.79 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.295 0 N-CA-C 108.167 -1.049 . . . . 0.29 108.167 176.096 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.441 HG21 HD12 ' A' ' 28' ' ' LEU . 71.9 t -57.31 -35.02 47.48 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.142 0 CA-C-N 116.362 -0.381 . . . . 0.32 111.197 176.699 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.12 -39.05 75.7 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-O 121.012 0.434 . . . . 0.32 110.046 177.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.81 -44.47 94.69 Favored Glycine 0 CA--C 1.49 -1.469 0 N-CA-C 110.12 -1.192 . . . . 0.31 110.12 178.192 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.524 ' O ' HG23 ' A' ' 15' ' ' VAL . 92.1 mt -58.98 -43.41 91.38 Favored 'General case' 0 C--N 1.308 -1.23 0 N-CA-C 110.35 -0.241 . . . . 0.29 110.35 175.584 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.6 ' HA ' HG11 ' A' ' 26' ' ' VAL . . . -58.64 -43.31 89.72 Favored 'General case' 0 C--O 1.238 0.464 0 C-N-CA 123.059 0.544 . . . . 0.24 112.212 179.433 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -68.2 -37.23 80.69 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.3 -0.56 . . . . 1.46 111.562 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.407 HD12 ' HA ' ' A' ' 11' ' ' LEU . 89.6 mt -61.25 -46.36 96.78 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 CA-C-N 115.493 -0.776 . . . . 0.41 109.16 174.416 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 11' ' ' LEU . 77.9 t -60.66 -45.58 97.23 Favored 'Isoleucine or valine' 0 C--O 1.207 -1.174 0 CA-C-N 115.713 -0.676 . . . . 0.29 111.05 178.647 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -65.07 -32.74 74.6 Favored 'General case' 0 C--N 1.303 -1.42 0 CA-C-O 121.349 0.595 . . . . 0.64 111.079 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -70.58 -54.32 12.52 Favored 'General case' 0 C--N 1.304 -1.384 0 C-N-CA 123.761 0.825 . . . . 2.0 111.562 177.042 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.682 HG21 ' HB2' ' A' ' 45' ' ' GLU . 66.2 mt -91.23 -52.87 9.66 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.914 0 N-CA-C 112.736 0.643 . . . . 0.28 112.736 -173.199 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.447 ' CB ' HG13 ' A' ' 38' ' ' VAL . . . -73.38 -43.12 61.25 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.442 0.639 . . . . 0.34 109.564 -179.264 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 90.73 37.59 6.41 Favored Glycine 0 N--CA 1.443 -0.873 0 CA-C-N 115.134 -0.939 . . . . 0.46 110.845 -178.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.448 ' HA ' ' HD2' ' A' ' 22' ' ' PRO . 47.6 mm -116.82 137.68 23.96 Favored Pre-proline 0 C--N 1.318 -0.779 0 N-CA-C 109.001 -0.74 . . . . 0.42 109.001 -177.445 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.479 ' O ' HG23 ' A' ' 26' ' ' VAL . 6.5 Cg_exo -33.04 128.69 0.12 Allowed 'Trans proline' 0 C--N 1.364 1.387 1 C-N-CA 125.482 4.121 . . . . 0.41 114.818 175.001 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.4 t -67.27 -5.74 4.07 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 CA-C-O 122.683 1.23 . . . . 0.69 109.488 -179.141 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -110.24 -9.4 14.67 Favored 'General case' 0 N--CA 1.407 -2.59 0 CA-C-N 114.933 -1.031 . . . . 2.34 112.017 -177.015 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.422 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 13.7 t70 -92.68 -17.63 24.03 Favored 'General case' 0 CA--C 1.496 -1.105 0 N-CA-C 107.736 -1.209 . . . . 0.69 107.736 179.174 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.6 HG11 ' HA ' ' A' ' 12' ' ' ALA . 25.0 t -82.96 61.6 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.313 -1.004 0 CA-C-N 114.321 -1.309 . . . . 0.4 108.959 -178.589 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.64 ' O ' HG21 ' A' ' 69' ' ' VAL . 28.6 pttt -91.76 172.42 8.49 Favored 'General case' 0 N--CA 1.422 -1.864 0 CA-C-N 114.071 -1.422 . . . . 1.67 108.081 176.084 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.609 ' HA ' HG23 ' A' ' 69' ' ' VAL . 3.3 tt -68.85 -2.46 9.63 Favored 'General case' 0 CA--C 1.555 1.17 0 N-CA-C 113.816 1.043 . . . . 1.08 113.816 -167.234 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -85.45 -15.79 41.82 Favored 'General case' 0 C--N 1.284 -2.255 0 C-N-CA 125.164 1.386 . . . . 2.11 109.964 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.445 ' HB3' ' HG ' ' A' ' 36' ' ' LEU . 60.0 mmtt -82.23 126.09 31.69 Favored 'General case' 0 C--N 1.298 -1.655 0 N-CA-C 116.055 1.872 . . . . 1.02 116.055 -168.123 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.482 ' HA ' HG22 ' A' ' 68' ' ' THR . 3.7 p -95.02 22.16 6.9 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 113.748 -1.569 . . . . 1.16 112.458 -178.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.489 ' HA ' HD12 ' A' ' 36' ' ' LEU . 65.9 m-85 58.15 -108.55 0.42 Allowed 'General case' 0 C--O 1.246 0.88 0 N-CA-C 113.442 0.905 . . . . 0.36 113.442 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.527 HG23 ' HB ' ' A' ' 38' ' ' VAL . 1.5 p -74.95 56.33 0.74 Allowed 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 121.792 0.806 . . . . 0.47 112.765 178.691 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -161.23 -48.69 0.04 OUTLIER 'General case' 0 C--N 1.299 -1.623 0 CA-C-N 114.781 -1.1 . . . . 0.73 109.317 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -108.24 -41.56 4.86 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.516 -0.473 . . . . 1.46 111.351 -179.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.489 HD12 ' HA ' ' A' ' 32' ' ' PHE . 96.1 mt -76.21 -39.91 53.49 Favored 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 109.883 -0.414 . . . . 0.58 109.883 178.106 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.3 t70 69.92 93.47 0.08 Allowed 'General case' 0 CA--C 1.503 -0.835 0 C-N-CA 125.082 1.353 . . . . 1.14 108.618 -178.181 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.527 ' HB ' HG23 ' A' ' 33' ' ' THR . 75.1 t -106.49 -92.62 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.288 -2.088 0 CA-C-N 114.077 -1.42 . . . . 1.79 110.111 -170.587 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.1 t70 164.77 -175.49 0.02 OUTLIER 'General case' 0 CA--C 1.506 -0.736 0 N-CA-C 103.032 -2.951 . . . . 0.79 103.032 -177.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.435 ' O ' HG23 ' A' ' 44' ' ' VAL . 41.0 p -108.92 -29.76 8.45 Favored 'General case' 0 C--N 1.276 -2.62 0 CA-C-N 118.392 0.542 . . . . 1.23 110.745 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.467 ' O ' ' HG2' ' A' ' 45' ' ' GLU . 76.2 mt -71.99 -36.68 69.85 Favored 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 106.639 -1.615 . . . . 1.02 106.639 178.27 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.523 ' OG ' HG22 ' A' ' 18' ' ' ILE . 33.5 t -71.92 -37.8 69.98 Favored 'General case' 0 N--CA 1.415 -2.203 0 CA-C-N 113.284 -1.78 . . . . 1.02 108.469 177.481 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.446 ' O ' HG23 ' A' ' 47' ' ' VAL . 29.9 tpp -57.99 -47.79 81.94 Favored 'General case' 0 CA--C 1.519 -0.22 0 C-N-CA 123.249 0.62 . . . . 0.55 111.331 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.503 ' O ' HG23 ' A' ' 48' ' ' VAL . 83.9 t -60.2 -41.47 86.91 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.11 0 CA-C-N 115.414 -0.812 . . . . 0.56 110.054 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.682 ' HB2' HG21 ' A' ' 18' ' ' ILE . 10.7 mm-40 -67.18 -35.38 79.52 Favored 'General case' 0 N--CA 1.444 -0.753 0 O-C-N 123.348 0.405 . . . . 2.08 109.917 -179.582 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 42' ' ' SER . 92.7 t -60.77 -45.48 97.77 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 N-CA-C 109.596 -0.52 . . . . 0.52 109.596 176.38 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.554 HG22 HG21 ' A' ' 63' ' ' VAL . 45.8 t -56.49 -61.69 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 N-CA-C 108.306 -0.998 . . . . 0.38 108.306 175.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 44' ' ' VAL . 93.4 t -40.47 -58.1 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.5 2.055 0 O-C-N 124.445 1.091 . . . . 0.58 111.55 173.537 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.94 -36.13 82.95 Favored 'General case' 0 C--O 1.21 -1.006 0 N-CA-C 112.798 0.666 . . . . 0.42 112.798 -177.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -61.15 -42.52 98.7 Favored 'General case' 0 C--O 1.25 1.122 0 N-CA-C 109.904 -0.406 . . . . 0.38 109.904 177.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.636 ' HG2' ' H ' ' A' ' 58' ' ' ILE . 45.0 mt-10 -59.98 -44.36 94.54 Favored 'General case' 0 C--O 1.21 -0.985 0 CA-C-N 115.221 -0.899 . . . . 1.36 109.794 177.616 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -77.55 -26.12 50.7 Favored 'General case' 0 C--N 1.306 -1.322 0 N-CA-C 112.788 0.662 . . . . 2.09 112.788 -176.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 17.0 tpt85 -83.07 -34.86 26.08 Favored 'General case' 0 C--N 1.307 -1.266 0 CA-C-O 120.767 0.318 . . . . 2.75 111.195 -174.204 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.608 ' HB2' HG12 ' A' ' 56' ' ' VAL . 36.0 m-85 -112.6 -1.24 14.91 Favored 'General case' 0 C--N 1.305 -1.345 0 C-N-CA 120.281 -0.567 . . . . 0.73 111.054 -177.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 65.06 16.38 10.53 Favored 'General case' 0 N--CA 1.493 1.676 0 C-N-CA 125.235 1.414 . . . . 2.02 112.905 -179.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.608 HG12 ' HB2' ' A' ' 54' ' ' PHE . 5.8 p -100.98 122.53 53.15 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.5 0 CA-C-N 115.359 -0.837 . . . . 1.61 110.41 -177.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 49.1 tptt -64.84 104.56 0.86 Allowed 'General case' 0 C--N 1.296 -1.731 0 CA-C-N 115.258 -0.883 . . . . 1.67 110.476 175.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.671 HD11 HG12 ' A' ' 76' ' ' ILE . 51.0 mt -115.98 99.08 52.28 Favored Pre-proline 0 C--N 1.305 -1.366 0 N-CA-C 106.305 -1.739 . . . . 0.49 106.305 175.541 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.495 ' HD2' ' HB2' ' A' ' 62' ' ' ASP . 7.9 Cg_exo -70.04 142.79 47.61 Favored 'Trans proline' 0 N--CA 1.443 -1.446 0 C-N-CA 121.53 1.487 . . . . 0.62 111.924 -177.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.417 ' O ' HG12 ' A' ' 63' ' ' VAL . 4.1 m-20 -44.13 -25.13 0.2 Allowed 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 124.784 1.234 . . . . 2.0 112.171 170.638 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.4 ' HA ' ' HE2' ' A' ' 64' ' ' LYS . 4.9 m-20 -73.13 -59.32 2.76 Favored 'General case' 0 C--N 1.317 -0.829 0 C-N-CA 123.289 0.636 . . . . 2.09 109.94 176.605 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.495 ' HB2' ' HD2' ' A' ' 59' ' ' PRO . 76.0 m-20 -66.73 -31.05 71.46 Favored 'General case' 0 CA--C 1.481 -1.71 0 CA-C-N 116.046 -0.525 . . . . 1.58 111.769 -176.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.554 HG21 HG22 ' A' ' 47' ' ' VAL . 2.9 p -61.16 -23.52 30.33 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.396 0 O-C-N 123.544 0.527 . . . . 0.69 110.977 -178.214 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.4 ' HE2' ' HA ' ' A' ' 61' ' ' ASP . 42.1 mttm -71.87 -19.73 61.91 Favored 'General case' 0 C--N 1.347 0.476 0 CA-C-O 121.564 0.697 . . . . 2.44 110.147 -179.42 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 -88.98 -18.79 26.68 Favored 'General case' 0 C--N 1.309 -1.19 0 CA-C-N 115.519 -0.764 . . . . 1.94 110.446 -177.574 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.816 HD13 ' HA ' ' A' ' 72' ' ' ALA . 64.2 mt -76.52 -66.9 0.75 Allowed 'General case' 0 C--N 1.313 -0.988 0 CA-C-N 115.69 -0.686 . . . . 1.67 109.286 -178.094 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.471 ' HA ' ' H3 ' ' A' ' 101' ' ' SHW 0.29 38.6 mmtt 71.84 -39.55 0.45 Allowed 'General case' 0 C--N 1.314 -0.975 0 N-CA-C 116.397 1.999 . . . . 3.18 116.397 178.165 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.482 HG22 ' HA ' ' A' ' 31' ' ' SER . 17.8 p -111.61 156.27 22.05 Favored 'General case' 0 C--N 1.264 -3.112 0 C-N-CA 119.281 -0.968 . . . . 0.51 111.402 179.508 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.64 HG21 ' O ' ' A' ' 27' ' ' LYS . 4.0 m -52.23 -47.71 44.47 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.577 0 CA-C-N 114.382 -1.281 . . . . 0.35 110.879 176.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.458 ' CA ' ' HG ' ' A' ' 28' ' ' LEU . . . -69.18 -31.57 72.02 Favored Glycine 0 N--CA 1.439 -1.115 0 CA-C-N 116.127 -0.488 . . . . 0.3 113.591 -179.296 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -74.28 -38.37 63.42 Favored 'General case' 0 CA--C 1.505 -0.784 0 N-CA-C 107.843 -1.169 . . . . 1.79 107.843 -179.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.816 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -58.87 -54.38 47.76 Favored 'General case' 0 C--O 1.212 -0.883 0 CA-C-N 114.918 -1.037 . . . . 0.29 108.556 174.64 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.576 HG23 ' HB ' ' A' ' 7' ' ' ILE . 96.9 m -48.37 -48.27 36.82 Favored 'General case' 0 C--O 1.195 -1.78 0 C-N-CA 123.953 0.901 . . . . 0.31 112.15 173.466 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.8 ttpp -55.91 -40.17 72.67 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 118.301 0.501 . . . . 2.93 111.267 177.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.576 ' O ' ' HB2' ' A' ' 79' ' ' HIS . 69.9 t80 -69.72 -47.28 63.69 Favored 'General case' 0 C--O 1.21 -1.008 0 N-CA-C 108.452 -0.944 . . . . 0.53 108.452 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.671 HG12 HD11 ' A' ' 58' ' ' ILE . 96.0 mt -59.71 -51.63 70.57 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.958 0 CA-C-N 115.357 -0.838 . . . . 0.27 110.087 179.257 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.572 ' HA ' HE21 ' A' ' 80' ' ' GLN . 27.2 tp -52.84 -43.09 65.77 Favored 'General case' 0 C--N 1.316 -0.85 0 C-N-CA 124.195 0.998 . . . . 1.15 111.379 -179.255 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -85.47 -41.63 15.19 Favored 'General case' 0 C--N 1.301 -1.523 0 O-C-N 123.718 0.636 . . . . 0.67 112.11 -174.294 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.576 ' HB2' ' O ' ' A' ' 75' ' ' TYR . 0.2 OUTLIER -72.14 -55.77 6.72 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-N 115.854 -0.612 . . . . 1.53 110.408 -176.901 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.572 HE21 ' HA ' ' A' ' 77' ' ' LEU . 86.3 mm-40 49.22 -172.69 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.083 0.953 . . . . 0.89 112.797 -174.67 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.293 -1.866 0 N-CA-C 107.35 -1.352 . . . . 2.36 107.35 173.401 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' SHW . . . . . 0.471 ' H3 ' ' HA ' ' A' ' 67' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.509 -0.626 0 N-CA-C 109.034 -0.728 . . . . 2.05 109.034 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -130.45 154.07 48.13 Favored 'General case' 0 CA--C 1.476 -1.882 0 N-CA-C 108.489 -0.93 . . . . 1.02 108.489 -175.003 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.579 ' O ' HG13 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -71.57 128.84 37.12 Favored 'General case' 0 C--N 1.278 -2.534 0 N-CA-C 106.609 -1.626 . . . . 1.05 106.609 -179.501 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.572 ' HA ' HD12 ' A' ' 7' ' ' ILE . 52.4 mt-30 -49.72 -39.51 37.38 Favored 'General case' 0 N--CA 1.486 1.33 0 N-CA-C 115.989 1.848 . . . . 1.25 115.989 -171.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -79.04 -24.54 43.54 Favored 'General case' 0 C--N 1.298 -1.65 0 CA-C-O 121.45 0.643 . . . . 2.3 109.696 -178.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.578 ' HB3' ' O ' ' A' ' 3' ' ' THR . 40.1 tt0 -74.78 -30.78 61.55 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 107.771 -1.196 . . . . 1.92 107.771 176.006 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.579 HG13 ' O ' ' A' ' 3' ' ' THR . 45.8 mt -64.75 -57.4 11.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 107.177 -1.416 . . . . 0.29 107.177 172.555 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.452 ' HA ' HD12 ' A' ' 11' ' ' LEU . 95.4 t -54.85 -38.45 44.51 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.871 0 CA-C-N 115.812 -0.631 . . . . 0.32 110.972 177.124 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.83 -41.54 99.37 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 122.57 0.348 . . . . 0.32 111.237 177.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.24 -39.96 97.53 Favored Glycine 0 CA--C 1.493 -1.321 0 N-CA-C 109.81 -1.316 . . . . 0.31 109.81 177.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.521 ' O ' HG23 ' A' ' 15' ' ' VAL . 96.3 mt -60.79 -50.88 71.68 Favored 'General case' 0 C--N 1.313 -0.982 0 N-CA-C 109.664 -0.495 . . . . 0.29 109.664 175.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.0 -44.72 74.79 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 124.341 1.056 . . . . 0.24 112.369 -178.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -65.3 -36.02 82.77 Favored 'General case' 0 C--O 1.241 0.635 0 N-CA-C 112.274 0.472 . . . . 1.46 112.274 -179.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 97.1 mt -68.68 -48.76 69.88 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.303 0 CA-C-N 115.465 -0.789 . . . . 0.41 109.385 176.061 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.539 HG12 ' HB ' ' A' ' 21' ' ' ILE . 95.3 t -56.93 -47.42 83.26 Favored 'Isoleucine or valine' 0 C--O 1.204 -1.33 0 CA-C-N 115.673 -0.694 . . . . 0.29 110.393 178.721 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -62.64 -32.41 73.45 Favored 'General case' 0 C--N 1.298 -1.658 0 CA-C-O 120.981 0.419 . . . . 0.64 111.534 -179.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -76.51 -51.16 12.25 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 115.615 -0.72 . . . . 2.0 111.03 -179.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.638 HG21 ' HB2' ' A' ' 45' ' ' GLU . 83.6 mt -89.01 -53.57 9.22 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.095 0 CA-C-O 121.155 0.502 . . . . 0.28 112.16 -174.485 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.436 ' CB ' HG13 ' A' ' 38' ' ' VAL . . . -76.19 -36.41 58.68 Favored 'General case' 0 C--N 1.314 -0.951 0 CA-C-N 116.26 -0.427 . . . . 0.34 110.363 -177.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.66 32.56 18.42 Favored Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 110.966 -0.854 . . . . 0.46 110.966 -178.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.539 ' HB ' HG12 ' A' ' 15' ' ' VAL . 50.3 mm -110.9 133.04 21.35 Favored Pre-proline 0 C--N 1.318 -0.794 0 O-C-N 122.911 -0.17 . . . . 0.42 110.724 -176.115 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.51 ' HB2' ' HB2' ' A' ' 25' ' ' ASP . 11.4 Cg_exo -31.4 123.42 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.124 1 C-N-CA 126.078 4.518 . . . . 0.41 115.105 173.668 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 90.6 t -57.14 -34.68 45.94 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 113.948 -1.478 . . . . 0.69 109.986 -179.058 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -98.6 2.39 47.32 Favored 'General case' 0 N--CA 1.423 -1.792 0 N-CA-C 113.533 0.938 . . . . 2.34 113.533 -177.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.552 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 29.8 t70 -86.35 -25.3 25.46 Favored 'General case' 0 CA--C 1.503 -0.831 0 N-CA-C 106.061 -1.829 . . . . 0.69 106.061 172.38 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.736 HG13 HG11 ' A' ' 69' ' ' VAL . 55.8 t -72.17 78.61 0.29 Allowed 'Isoleucine or valine' 0 CA--C 1.547 0.833 0 CA-C-N 114.029 -1.441 . . . . 0.4 108.906 173.41 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.428 ' O ' HG21 ' A' ' 69' ' ' VAL . 62.6 mttm -91.84 -135.77 0.15 Allowed 'General case' 0 C--N 1.307 -1.242 0 CA-C-N 113.838 -1.528 . . . . 1.67 107.689 178.638 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.478 ' HA ' HG23 ' A' ' 69' ' ' VAL . 0.3 OUTLIER -114.68 -14.57 12.02 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 118.842 0.747 . . . . 1.08 111.401 174.504 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -88.72 2.58 53.13 Favored 'General case' 0 C--N 1.295 -1.781 0 C-N-CA 125.717 1.607 . . . . 2.11 109.463 -173.056 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.552 ' HG3' ' O ' ' A' ' 25' ' ' ASP . 75.8 mmtt -98.28 115.73 29.0 Favored 'General case' 0 C--N 1.275 -2.652 0 CA-C-N 114.027 -1.442 . . . . 1.02 114.049 -170.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.531 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 5.5 m -86.9 113.31 22.58 Favored 'General case' 0 N--CA 1.402 -2.869 0 N-CA-C 105.197 -2.149 . . . . 1.16 105.197 170.558 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.687 ' HA ' HD12 ' A' ' 36' ' ' LEU . 89.6 m-85 -31.3 -82.96 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 114.684 1.365 . . . . 0.36 114.684 177.788 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.615 HG23 ' HB ' ' A' ' 38' ' ' VAL . 0.8 OUTLIER -81.94 64.77 6.78 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 114.539 1.311 . . . . 0.47 114.539 177.347 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -175.73 -53.0 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.719 -0.673 . . . . 0.73 110.325 174.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -88.85 -47.71 7.99 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 115.867 -0.606 . . . . 1.46 110.541 178.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.687 HD12 ' HA ' ' A' ' 32' ' ' PHE . 96.5 mt -76.14 -44.61 37.51 Favored 'General case' 0 CA--C 1.505 -0.771 0 CA-C-N 116.125 -0.489 . . . . 0.58 109.982 -179.709 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.0 t70 79.59 86.84 0.06 Allowed 'General case' 0 CA--C 1.505 -0.751 0 C-N-CA 125.639 1.575 . . . . 1.14 109.543 177.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.615 ' HB ' HG23 ' A' ' 33' ' ' THR . 55.8 t -100.26 -102.96 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.423 -1.797 0 CA-C-N 114.275 -1.33 . . . . 1.79 109.114 -177.128 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.9 t70 176.26 -173.42 0.09 Allowed 'General case' 0 C--N 1.31 -1.109 0 N-CA-C 105.988 -1.856 . . . . 0.79 105.988 -177.187 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.505 ' HA ' ' H37' ' A' ' 101' ' ' SHW . 66.0 m -83.51 -44.78 14.32 Favored 'General case' 0 C--N 1.294 -1.83 0 CA-C-O 121.699 0.761 . . . . 1.23 109.883 -178.78 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 87.5 mt -78.73 -45.11 21.94 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-N 115.021 -0.991 . . . . 1.02 112.429 -169.002 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.542 ' O ' HG23 ' A' ' 46' ' ' VAL . 2.9 p -70.08 -23.42 63.07 Favored 'General case' 0 N--CA 1.424 -1.772 0 CA-C-N 115.308 -0.86 . . . . 1.02 110.869 -175.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.439 ' CE ' HG23 ' A' ' 33' ' ' THR . 25.3 tpp -61.54 -43.46 98.82 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.538 -0.755 . . . . 0.55 110.63 177.472 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 48.6 t -69.98 -32.96 53.33 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.97 0 CA-C-N 115.411 -0.813 . . . . 0.56 109.507 -177.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.638 ' HB2' HG21 ' A' ' 18' ' ' ILE . 46.6 mt-10 -68.65 -37.45 79.68 Favored 'General case' 0 N--CA 1.437 -1.121 0 N-CA-C 109.717 -0.475 . . . . 2.08 109.717 178.507 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 42' ' ' SER . 86.0 t -58.87 -47.48 89.35 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.297 0 N-CA-C 109.466 -0.568 . . . . 0.52 109.466 176.214 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.436 HG22 HG21 ' A' ' 63' ' ' VAL . 62.6 t -54.8 -63.67 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 O-C-N 123.58 0.55 . . . . 0.38 109.554 176.069 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 76.2 t -45.03 -53.55 1.54 Allowed 'Isoleucine or valine' 0 CA--C 1.553 1.08 0 O-C-N 124.202 0.939 . . . . 0.58 112.1 177.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.98 -36.82 85.22 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 111.918 0.34 . . . . 0.42 111.918 -178.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.64 -37.27 85.67 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.588 0.232 . . . . 0.38 111.143 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.638 ' HG2' ' H ' ' A' ' 58' ' ' ILE . 43.0 mt-10 -57.55 -47.71 81.31 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.181 0.515 . . . . 1.36 109.878 177.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -76.06 -40.61 52.87 Favored 'General case' 0 C--N 1.306 -1.3 0 CA-C-N 115.943 -0.572 . . . . 2.09 111.962 -178.056 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 22.1 tpt180 -68.06 -35.09 77.65 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.405 0.621 . . . . 2.75 110.704 -172.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.459 ' HB2' HG22 ' A' ' 56' ' ' VAL . 6.6 m-85 -97.53 -4.03 38.65 Favored 'General case' 0 C--N 1.299 -1.616 0 CA-C-N 115.242 -0.89 . . . . 0.73 110.519 -177.083 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 62.65 19.63 11.47 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 124.625 1.17 . . . . 2.02 112.177 179.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.459 HG22 ' HB2' ' A' ' 54' ' ' PHE . 32.1 m -109.83 -166.72 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.305 -1.352 0 CA-C-N 115.62 -0.718 . . . . 1.61 109.233 -178.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.41 ' HD2' ' O ' ' A' ' 56' ' ' VAL . 13.9 mmmm -128.68 120.43 26.5 Favored 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 108.633 -0.877 . . . . 1.67 108.633 172.364 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.638 ' H ' ' HG2' ' A' ' 51' ' ' GLU . 30.9 mt -127.45 86.08 59.38 Favored Pre-proline 0 C--N 1.296 -1.751 0 N-CA-C 105.39 -2.078 . . . . 0.49 105.39 177.027 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -69.09 143.39 53.94 Favored 'Trans proline' 0 N--CA 1.445 -1.374 0 C-N-CA 121.57 1.514 . . . . 0.62 112.921 -174.131 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.492 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 23.8 t70 -43.61 -27.97 0.35 Allowed 'General case' 0 C--O 1.207 -1.171 0 C-N-CA 124.994 1.318 . . . . 2.0 112.702 174.349 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -70.07 -59.1 3.11 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-O 120.757 0.313 . . . . 2.09 111.522 177.062 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -76.26 -22.75 54.76 Favored 'General case' 0 N--CA 1.486 1.328 0 N-CA-C 112.537 0.569 . . . . 1.58 112.537 -174.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.478 HG23 HD12 ' A' ' 66' ' ' LEU . 4.2 p -63.72 -22.45 30.97 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.57 0 CA-C-O 121.288 0.566 . . . . 0.69 110.786 -179.265 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.492 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 64.0 mttm -72.41 -2.71 20.43 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 115.692 -0.686 . . . . 2.44 112.566 -177.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -107.14 6.61 28.96 Favored 'General case' 0 C--N 1.312 -1.038 0 CA-C-O 122.357 1.075 . . . . 1.94 108.731 176.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.796 HD13 ' HA ' ' A' ' 72' ' ' ALA . 64.0 mt -94.9 -68.12 0.82 Allowed 'General case' 0 C--O 1.201 -1.466 0 O-C-N 121.74 -0.6 . . . . 1.67 110.524 -179.706 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . 0.411 0.1 OUTLIER 59.7 -28.34 0.04 OUTLIER 'General case' 0 N--CA 1.5 2.052 0 N-CA-C 116.698 2.11 . . . . 3.18 116.698 178.598 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.531 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 66.8 p -111.88 169.05 9.1 Favored 'General case' 0 CA--C 1.488 -1.432 0 O-C-N 121.271 -0.893 . . . . 0.51 110.201 174.56 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.736 HG11 HG13 ' A' ' 26' ' ' VAL . 3.3 m -69.35 -36.62 72.97 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.287 0 CA-C-N 113.863 -1.517 . . . . 0.35 109.991 173.093 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -70.75 -47.9 37.74 Favored Glycine 0 N--CA 1.442 -0.923 0 CA-C-N 115.481 -0.782 . . . . 0.3 111.716 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -61.37 -39.32 90.21 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 110.083 -0.34 . . . . 1.79 110.083 177.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.796 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -57.99 -59.46 5.23 Favored 'General case' 0 C--O 1.217 -0.636 0 N-CA-C 109.673 -0.491 . . . . 0.29 109.673 177.699 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.423 ' HA ' HG21 ' A' ' 7' ' ' ILE . 92.4 m -48.91 -42.2 36.21 Favored 'General case' 0 C--O 1.214 -0.779 0 C-N-CA 124.277 1.031 . . . . 0.31 112.695 175.077 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -59.2 -40.22 85.07 Favored 'General case' 0 C--N 1.313 -1.008 0 C-N-CA 123.392 0.677 . . . . 2.93 110.123 179.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -76.41 -40.47 50.71 Favored 'General case' 0 C--O 1.216 -0.67 0 CA-C-N 115.855 -0.611 . . . . 0.53 109.641 178.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.515 HG13 ' O ' ' A' ' 72' ' ' ALA . 75.3 mt -66.51 -41.89 89.26 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.551 0 N-CA-C 109.946 -0.391 . . . . 0.27 109.946 -178.043 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.463 ' HA ' ' HG2' ' A' ' 80' ' ' GLN . 29.0 tp -65.56 -24.97 67.22 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-O 121.126 0.489 . . . . 1.15 110.136 178.745 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -84.79 -41.68 15.89 Favored 'General case' 0 C--N 1.307 -1.273 0 CA-C-N 115.381 -0.827 . . . . 0.67 110.44 179.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -91.17 5.57 48.5 Favored 'General case' 0 C--N 1.312 -1.057 0 CA-C-N 115.371 -0.831 . . . . 1.53 112.197 -176.046 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.463 ' HG2' ' HA ' ' A' ' 77' ' ' LEU . 72.0 mm-40 -35.52 137.73 0.18 Allowed 'General case' 0 C--O 1.249 1.078 0 N-CA-C 115.123 1.527 . . . . 0.89 115.123 178.612 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.42 -1.954 0 CA-C-N 114.309 -1.314 . . . . 2.36 107.551 177.746 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' SHW . . . . . 0.515 ' H4 ' ' CD2' ' A' ' 32' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.457 ' HA ' ' HB3' ' A' ' 80' ' ' GLN . . . . . . . . 0 N--CA 1.471 0.614 0 N-CA-C 109.105 -0.702 . . . . 2.05 109.105 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -145.41 155.03 42.9 Favored 'General case' 0 CA--C 1.468 -2.176 0 N-CA-C 106.903 -1.517 . . . . 1.02 106.903 -176.36 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.682 ' O ' HG13 ' A' ' 7' ' ' ILE . 64.2 p -66.03 158.26 28.79 Favored 'General case' 0 N--CA 1.426 -1.659 0 N-CA-C 107.448 -1.315 . . . . 1.05 107.448 177.576 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.566 ' HA ' HD12 ' A' ' 7' ' ' ILE . 52.7 mt-30 -69.74 -20.97 63.5 Favored 'General case' 0 C--N 1.275 -2.649 0 CA-C-O 121.367 0.603 . . . . 1.25 110.845 -177.355 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -73.93 -41.27 62.3 Favored 'General case' 0 C--O 1.204 -1.327 0 N-CA-C 108.279 -1.008 . . . . 2.3 108.279 176.092 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -61.45 -38.17 86.23 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.061 -0.972 . . . . 1.92 108.844 178.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.706 HG21 ' HA ' ' A' ' 73' ' ' THR . 52.3 mt -62.51 -60.45 2.72 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.844 0 CA-C-N 114.985 -1.007 . . . . 0.29 108.914 177.785 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.4 t -54.3 -40.46 48.05 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.082 0 CA-C-N 115.816 -0.629 . . . . 0.32 111.782 177.396 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.31 -40.02 95.08 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.013 0.435 . . . . 0.32 110.218 177.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.06 -40.06 96.77 Favored Glycine 0 C--O 1.209 -1.454 0 N-CA-C 110.088 -1.205 . . . . 0.31 110.088 177.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.403 ' O ' HG23 ' A' ' 15' ' ' VAL . 94.6 mt -63.31 -47.12 83.58 Favored 'General case' 0 C--N 1.306 -1.32 0 N-CA-C 109.878 -0.416 . . . . 0.29 109.878 175.246 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.517 ' HB1' HG13 ' A' ' 23' ' ' VAL . . . -56.72 -43.77 80.94 Favored 'General case' 0 C--N 1.318 -0.787 0 C-N-CA 123.615 0.766 . . . . 0.24 112.466 -178.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -65.82 -43.77 87.6 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-O 121.004 0.43 . . . . 1.46 111.6 179.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.469 HG23 HD12 ' A' ' 18' ' ' ILE . 95.8 mt -63.24 -51.56 69.72 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.295 0 CA-C-N 115.607 -0.724 . . . . 0.41 110.102 178.514 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 11' ' ' LEU . 89.3 t -61.01 -37.6 77.65 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 CA-C-N 115.771 -0.649 . . . . 0.29 111.383 -179.623 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.444 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 3.7 t-20 -65.62 -37.55 86.91 Favored 'General case' 0 C--N 1.305 -1.359 0 C-N-CA 120.277 -0.569 . . . . 0.64 110.578 -179.377 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -81.34 -48.13 12.38 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-N 116.099 -0.501 . . . . 2.0 111.828 -177.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.681 HG21 ' HB2' ' A' ' 45' ' ' GLU . 97.0 mt -81.33 -53.25 12.64 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.192 0 N-CA-C 112.038 0.385 . . . . 0.28 112.038 -176.677 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.715 ' HB1' HG21 ' A' ' 38' ' ' VAL . . . -79.68 -36.73 37.18 Favored 'General case' 0 C--N 1.31 -1.145 0 CA-C-O 121.219 0.533 . . . . 0.34 110.291 -176.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 93.86 7.96 60.93 Favored Glycine 0 C--N 1.31 -0.879 0 C-N-CA 120.75 -0.738 . . . . 0.46 111.297 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.646 HG21 HD22 ' A' ' 36' ' ' LEU . 51.0 mm -91.44 130.62 38.85 Favored Pre-proline 0 C--N 1.314 -0.966 0 N-CA-C 108.987 -0.746 . . . . 0.42 108.987 -178.785 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.485 ' O ' HG23 ' A' ' 26' ' ' VAL . 6.5 Cg_exo -34.99 127.1 0.23 Allowed 'Trans proline' 0 C--N 1.352 0.756 1 C-N-CA 125.406 4.07 . . . . 0.41 114.981 175.713 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.517 HG13 ' HB1' ' A' ' 12' ' ' ALA . 71.1 t -51.2 -33.28 13.47 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.252 0 C-N-CA 124.787 1.235 . . . . 0.69 109.01 174.186 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -82.02 -25.09 34.98 Favored 'General case' 0 N--CA 1.413 -2.275 0 CA-C-N 113.966 -1.47 . . . . 2.34 112.276 -174.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.471 ' O ' ' HE3' ' A' ' 30' ' ' LYS . 26.9 t70 -82.99 -19.39 37.13 Favored 'General case' 0 CA--C 1.503 -0.842 0 N-CA-C 108.337 -0.986 . . . . 0.69 108.337 178.83 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 22' ' ' PRO . 58.4 t -73.75 76.51 0.37 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.694 0 CA-C-O 122.411 1.1 . . . . 0.4 108.743 175.008 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.588 ' O ' HG21 ' A' ' 69' ' ' VAL . 94.3 mttt -91.57 -145.71 0.2 Allowed 'General case' 0 C--N 1.305 -1.34 0 CA-C-N 114.05 -1.432 . . . . 1.67 108.406 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.0 tt -114.66 -13.93 12.07 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 119.386 0.994 . . . . 1.08 111.657 -175.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -87.99 -9.77 52.46 Favored 'General case' 0 C--N 1.301 -1.503 0 CA-C-O 122.466 1.127 . . . . 2.11 109.596 179.452 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.611 ' O ' HG22 ' A' ' 69' ' ' VAL . 66.8 mmtt -72.21 114.35 10.23 Favored 'General case' 0 C--N 1.305 -1.336 0 CA-C-N 114.281 -1.327 . . . . 1.02 114.522 -172.053 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.553 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 3.9 m -85.34 36.07 0.62 Allowed 'General case' 0 C--N 1.287 -2.126 0 CA-C-N 115.031 -0.986 . . . . 1.16 113.503 -178.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.676 ' HA ' HD12 ' A' ' 36' ' ' LEU . 50.2 m-85 48.97 -111.21 0.44 Allowed 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 114.318 1.229 . . . . 0.36 114.318 179.544 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -75.08 38.22 0.13 Allowed 'General case' 0 C--N 1.314 -0.943 0 N-CA-C 114.025 1.12 . . . . 0.47 114.025 -179.192 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.45 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 9.7 t70 -143.19 -66.53 0.37 Allowed 'General case' 0 C--N 1.296 -1.745 0 CA-C-N 114.881 -1.054 . . . . 0.73 108.598 177.402 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -76.59 -51.29 11.89 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 119.484 -0.886 . . . . 1.46 109.8 179.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.676 HD12 ' HA ' ' A' ' 32' ' ' PHE . 79.4 mt -66.33 -50.73 62.6 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 107.695 -1.224 . . . . 0.58 107.695 177.595 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.1 t70 66.43 90.72 0.09 Allowed 'General case' 0 CA--C 1.507 -0.699 0 CA-C-N 114.466 -1.243 . . . . 1.14 109.624 177.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.715 HG21 ' HB1' ' A' ' 19' ' ' ALA . 4.0 p -119.97 -89.23 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.412 -2.339 0 N-CA-C 114.456 1.28 . . . . 1.79 114.456 -179.316 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.687 ' H ' HG13 ' A' ' 38' ' ' VAL . 7.6 t70 -158.18 172.38 18.49 Favored 'General case' 0 C--N 1.304 -1.393 0 N-CA-C 106.225 -1.769 . . . . 0.79 106.225 -172.335 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 47.6 t -95.51 -39.88 9.74 Favored 'General case' 0 C--N 1.265 -3.104 0 CA-C-O 121.895 0.855 . . . . 1.23 109.117 -174.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 68.2 mt -79.63 -24.99 41.52 Favored 'General case' 0 C--N 1.301 -1.543 0 CA-C-N 114.777 -1.101 . . . . 1.02 109.382 -172.442 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.509 ' O ' HG23 ' A' ' 46' ' ' VAL . 31.4 m -79.38 -26.82 41.9 Favored 'General case' 0 N--CA 1.423 -1.781 0 CA-C-N 115.138 -0.937 . . . . 1.02 109.532 176.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.485 ' CE ' ' HB3' ' A' ' 32' ' ' PHE . 32.7 tpp -67.59 -40.2 84.81 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.482 0.658 . . . . 0.55 110.284 -178.194 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.463 ' O ' HG23 ' A' ' 48' ' ' VAL . 40.4 t -67.18 -36.95 78.21 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.249 0 CA-C-N 115.373 -0.831 . . . . 0.56 109.758 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.681 ' HB2' HG21 ' A' ' 18' ' ' ILE . 31.6 mm-40 -66.3 -35.21 79.8 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 116.5 -0.318 . . . . 2.08 110.397 178.213 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 42' ' ' SER . 99.5 t -60.58 -45.16 97.68 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.644 0 N-CA-C 108.899 -0.778 . . . . 0.52 108.899 176.277 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.679 HG22 HG21 ' A' ' 63' ' ' VAL . 59.4 t -54.32 -62.47 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 N-CA-C 108.812 -0.81 . . . . 0.38 108.812 175.198 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 44' ' ' VAL . 95.5 t -41.68 -60.04 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 124.278 0.986 . . . . 0.58 111.218 175.42 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -61.6 -39.72 92.25 Favored 'General case' 0 C--O 1.218 -0.595 0 N-CA-C 112.61 0.596 . . . . 0.42 112.61 -177.284 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -59.3 -37.59 78.1 Favored 'General case' 0 C--O 1.241 0.636 0 C-N-CA 122.297 0.239 . . . . 0.38 111.243 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.655 ' HG2' ' H ' ' A' ' 58' ' ' ILE . 28.6 mt-10 -59.99 -42.16 93.62 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 116.282 -0.417 . . . . 1.36 110.596 177.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -81.35 -39.29 25.3 Favored 'General case' 0 C--N 1.309 -1.173 0 O-C-N 124.012 0.82 . . . . 2.09 111.644 -176.127 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 51.7 tpt85 -72.21 -36.76 69.25 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.422 0.629 . . . . 2.75 110.766 -174.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.525 ' CE2' HD13 ' A' ' 76' ' ' ILE . 24.3 m-85 -99.78 -16.72 18.0 Favored 'General case' 0 C--N 1.292 -1.892 0 C-N-CA 120.127 -0.629 . . . . 0.73 111.447 -178.588 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 33.5 t70 64.76 13.13 8.21 Favored 'General case' 0 N--CA 1.487 1.395 0 C-N-CA 124.749 1.22 . . . . 2.02 110.236 -179.327 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.507 HG12 ' HA ' ' A' ' 80' ' ' GLN . 33.1 m -88.42 -13.43 9.94 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.83 0 CA-C-N 115.13 -0.941 . . . . 1.61 111.255 -175.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.429 ' HE2' ' OE1' ' A' ' 51' ' ' GLU . 14.2 mmmm 53.54 88.36 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 124.715 1.206 . . . . 1.67 112.139 -177.369 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.655 ' H ' ' HG2' ' A' ' 51' ' ' GLU . 23.9 mt -98.38 97.98 5.27 Favored Pre-proline 0 C--N 1.307 -1.247 0 N-CA-C 107.436 -1.32 . . . . 0.49 107.436 176.057 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -72.53 147.96 47.04 Favored 'Trans proline' 0 N--CA 1.44 -1.663 0 C-N-CA 120.968 1.112 . . . . 0.62 111.491 -177.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.591 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 5.5 m-20 -42.72 -34.34 0.89 Allowed 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 125.166 1.387 . . . . 2.0 112.328 176.045 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.476 ' HA ' ' HE2' ' A' ' 64' ' ' LYS . 12.6 t70 -62.52 -56.97 13.03 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-O 121.186 0.517 . . . . 2.09 110.799 179.255 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 -74.64 -27.66 60.54 Favored 'General case' 0 CA--C 1.487 -1.454 0 CA-C-N 116.267 -0.424 . . . . 1.58 111.111 -175.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.679 HG21 HG22 ' A' ' 47' ' ' VAL . 1.1 p -61.7 -22.86 29.32 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.897 0 CA-C-O 121.289 0.566 . . . . 0.69 110.823 -177.618 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.591 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 54.4 mtmt -71.4 -8.79 56.1 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-N 115.55 -0.75 . . . . 2.44 112.058 -179.068 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 28.7 m-80 -102.95 0.66 32.62 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 116.166 -0.47 . . . . 1.94 109.753 -178.089 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.663 HD13 ' HA ' ' A' ' 72' ' ' ALA . 70.9 mt -90.09 -62.86 1.37 Allowed 'General case' 0 C--N 1.312 -1.038 0 C-N-CA 120.718 -0.393 . . . . 1.67 110.866 -175.572 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.402 ' HA ' ' H3 ' ' A' ' 101' ' ' SHW 0.522 0.0 OUTLIER 57.44 -6.23 0.04 OUTLIER 'General case' 0 CA--C 1.559 1.327 0 N-CA-C 118.405 2.742 . . . . 3.18 118.405 179.709 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.553 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 57.2 p -137.19 172.85 12.38 Favored 'General case' 0 CA--C 1.498 -1.029 0 O-C-N 121.319 -0.863 . . . . 0.51 109.487 169.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.611 HG22 ' O ' ' A' ' 30' ' ' LYS . 2.4 m -69.91 -45.55 76.52 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.573 0 CA-C-N 114.757 -1.11 . . . . 0.35 109.783 171.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -63.47 -42.66 98.93 Favored Glycine 0 N--CA 1.446 -0.639 0 CA-C-N 116.178 -0.465 . . . . 0.3 112.936 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 -70.76 -32.53 69.7 Favored 'General case' 0 CA--C 1.508 -0.673 0 O-C-N 122.463 -0.433 . . . . 1.79 110.395 178.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.663 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -60.55 -57.14 14.0 Favored 'General case' 0 C--O 1.208 -1.104 0 N-CA-C 108.245 -1.021 . . . . 0.29 108.245 173.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.706 ' HA ' HG21 ' A' ' 7' ' ' ILE . 85.2 m -47.7 -41.99 23.97 Favored 'General case' 0 C--O 1.209 -1.073 0 C-N-CA 124.365 1.066 . . . . 0.31 112.748 174.276 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -59.55 -42.28 92.03 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 118.109 0.413 . . . . 2.93 110.658 177.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.476 ' O ' ' HB2' ' A' ' 79' ' ' HIS . 55.0 t80 -72.21 -42.46 65.75 Favored 'General case' 0 C--O 1.205 -1.28 0 N-CA-C 109.137 -0.69 . . . . 0.53 109.137 179.78 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.601 HG12 HD11 ' A' ' 58' ' ' ILE . 76.0 mt -65.57 -43.87 94.03 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.288 0 CA-C-N 116.078 -0.51 . . . . 0.27 109.927 -178.818 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.493 ' HA ' HE21 ' A' ' 80' ' ' GLN . 21.0 tp -63.88 -26.26 68.53 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.205 0.526 . . . . 1.15 110.794 178.481 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -87.53 -34.3 18.66 Favored 'General case' 0 C--N 1.304 -1.411 0 CA-C-O 121.81 0.814 . . . . 0.67 110.425 -179.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.476 ' HB2' ' O ' ' A' ' 75' ' ' TYR . 0.2 OUTLIER -92.85 2.78 56.59 Favored 'General case' 0 C--N 1.308 -1.199 0 CA-C-N 114.991 -1.004 . . . . 1.53 111.172 -176.073 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.507 ' HA ' HG12 ' A' ' 56' ' ' VAL . 67.6 mm-40 -38.16 133.35 0.93 Allowed 'General case' 0 N--CA 1.475 0.797 0 N-CA-C 115.575 1.694 . . . . 0.89 115.575 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.421 -1.907 0 N-CA-C 107.084 -1.45 . . . . 2.36 107.084 174.464 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' SHW . . . . . 0.421 ' S1 ' ' HG2' ' A' ' 43' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.481 ' HA ' ' HG3' ' A' ' 80' ' ' GLN . . . . . . . . 0 CA--C 1.515 -0.367 0 N-CA-C 109.536 -0.542 . . . . 2.05 109.536 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -133.68 -165.19 1.59 Allowed 'General case' 0 N--CA 1.43 -1.437 0 N-CA-C 106.644 -1.613 . . . . 1.02 106.644 -177.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.501 ' O ' HG13 ' A' ' 7' ' ' ILE . 23.8 m -93.48 118.25 31.1 Favored 'General case' 0 C--N 1.281 -2.378 0 N-CA-C 108.109 -1.071 . . . . 1.05 108.109 179.49 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.457 ' HA ' HD12 ' A' ' 7' ' ' ILE . 27.0 mt-30 -49.26 -37.24 22.91 Favored 'General case' 0 N--CA 1.485 1.298 0 N-CA-C 112.809 0.67 . . . . 1.25 112.809 -178.247 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -64.45 -33.86 76.85 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 116.243 -0.435 . . . . 2.3 110.905 179.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -72.31 -37.97 68.82 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.078 -0.712 . . . . 1.92 109.078 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.501 HG13 ' O ' ' A' ' 3' ' ' THR . 19.8 mt -63.0 -58.49 7.36 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.045 0 N-CA-C 108.393 -0.966 . . . . 0.29 108.393 179.395 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.469 HG21 HD11 ' A' ' 28' ' ' LEU . 57.4 t -54.53 -38.71 42.79 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.272 0 CA-C-N 115.618 -0.719 . . . . 0.32 111.287 177.546 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.418 ' O ' ' HG2' ' A' ' 13' ' ' GLU . . . -66.88 -41.74 86.73 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.606 0.241 . . . . 0.32 110.857 178.36 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.12 -41.4 99.75 Favored Glycine 0 N--CA 1.445 -0.702 0 N-CA-C 110.592 -1.003 . . . . 0.31 110.592 176.446 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.5 ' O ' HG23 ' A' ' 15' ' ' VAL . 76.9 mt -61.22 -45.86 92.84 Favored 'General case' 0 N--CA 1.436 -1.153 0 C-N-CA 123.127 0.571 . . . . 0.29 110.154 175.554 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.429 ' HB1' HG13 ' A' ' 23' ' ' VAL . . . -56.79 -41.58 77.95 Favored 'General case' 0 C--N 1.322 -0.621 0 C-N-CA 123.894 0.878 . . . . 0.24 111.823 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.418 ' HG2' ' O ' ' A' ' 9' ' ' ALA . 7.8 mm-40 -53.94 -51.21 64.52 Favored 'General case' 0 N--CA 1.488 1.464 0 CA-C-O 122.132 0.968 . . . . 1.46 109.401 175.746 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 95.9 mt -63.42 -50.08 80.1 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.935 0 CA-C-N 113.38 -1.736 . . . . 0.41 110.674 -177.19 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 11' ' ' LEU . 90.6 t -58.25 -47.11 88.37 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.682 0 CA-C-N 115.959 -0.564 . . . . 0.29 110.481 178.799 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -64.71 -33.13 75.23 Favored 'General case' 0 C--N 1.302 -1.497 0 CA-C-O 121.085 0.469 . . . . 0.64 111.344 -177.382 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -69.87 -57.59 4.88 Favored 'General case' 0 C--N 1.304 -1.403 0 CA-C-N 115.593 -0.731 . . . . 2.0 110.719 177.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.734 HG22 ' HB3' ' A' ' 42' ' ' SER . 59.6 mt -82.95 -53.39 11.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.808 -0.633 . . . . 0.28 111.817 -171.292 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.699 ' HB2' HG13 ' A' ' 38' ' ' VAL . . . -75.94 -37.41 58.69 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.051 0.453 . . . . 0.34 110.278 -178.384 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 87.29 18.24 57.65 Favored Glycine 0 C--O 1.226 -0.392 0 N-CA-C 111.446 -0.662 . . . . 0.46 111.446 -178.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.437 ' HA ' ' HD2' ' A' ' 22' ' ' PRO . 51.4 mm -98.72 134.36 21.7 Favored Pre-proline 0 C--N 1.313 -1.009 0 N-CA-C 109.842 -0.429 . . . . 0.42 109.842 -177.024 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.437 ' HD2' ' HA ' ' A' ' 21' ' ' ILE . 20.1 Cg_exo -28.74 123.64 0.05 OUTLIER 'Trans proline' 0 C--N 1.371 1.756 1 C-N-CA 126.087 4.524 . . . . 0.41 115.108 174.775 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.475 ' O ' ' HB ' ' A' ' 26' ' ' VAL . 71.3 t -50.95 -47.69 29.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 113.87 -1.514 . . . . 0.69 108.828 176.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -79.67 -3.7 48.43 Favored 'General case' 0 N--CA 1.418 -2.026 0 N-CA-C 114.322 1.23 . . . . 2.34 114.322 -176.366 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.629 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 26.3 t70 -87.79 -16.45 34.11 Favored 'General case' 0 N--CA 1.437 -1.106 0 C-N-CA 118.088 -1.445 . . . . 0.69 108.503 175.776 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.493 HG13 HG11 ' A' ' 69' ' ' VAL . 20.6 t -72.93 85.47 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.431 -1.394 0 CA-C-O 122.965 1.364 . . . . 0.4 108.245 172.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.595 ' NZ ' ' HA ' ' A' ' 25' ' ' ASP . 54.2 mttp -97.03 -134.12 0.23 Allowed 'General case' 0 C--N 1.303 -1.438 0 CA-C-N 112.805 -1.998 . . . . 1.67 107.589 179.174 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.641 ' HA ' HG23 ' A' ' 69' ' ' VAL . 8.2 mp -124.78 -17.25 5.94 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 118.987 0.812 . . . . 1.08 112.647 174.05 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -88.45 -0.76 57.54 Favored 'General case' 0 N--CA 1.491 1.623 0 CA-C-O 123.256 1.503 . . . . 2.11 109.181 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.672 ' O ' HG22 ' A' ' 69' ' ' VAL . 71.9 mmtt -86.44 97.66 10.59 Favored 'General case' 0 C--N 1.289 -2.056 0 CA-C-N 113.744 -1.571 . . . . 1.02 113.293 -175.414 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.644 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 12.0 m -70.94 111.69 6.53 Favored 'General case' 0 N--CA 1.401 -2.913 0 N-CA-C 107.333 -1.358 . . . . 1.16 107.333 171.534 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.744 ' HA ' HD12 ' A' ' 36' ' ' LEU . 77.0 m-85 -29.59 -88.56 0.0 OUTLIER 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 114.53 1.308 . . . . 0.36 114.53 177.154 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.599 HG23 ' HB ' ' A' ' 38' ' ' VAL . 0.8 OUTLIER -82.81 66.87 8.63 Favored 'General case' 0 C--N 1.298 -1.671 0 N-CA-C 113.031 0.752 . . . . 0.47 113.031 176.105 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.644 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 23.0 t70 -169.77 -59.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.223 -0.899 . . . . 0.73 110.682 178.359 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -101.65 -31.03 11.01 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-O 121.488 0.661 . . . . 1.46 109.971 -175.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.744 HD12 ' HA ' ' A' ' 32' ' ' PHE . 88.2 mt -83.52 -49.95 8.75 Favored 'General case' 0 CA--C 1.507 -0.682 0 N-CA-C 109.477 -0.564 . . . . 0.58 109.477 175.337 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.6 t70 78.5 92.24 0.06 Allowed 'General case' 0 CA--C 1.512 -0.488 0 C-N-CA 125.471 1.509 . . . . 1.14 110.235 -178.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.699 HG13 ' HB2' ' A' ' 19' ' ' ALA . 84.5 t -102.15 -94.72 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.308 -1.227 0 CA-C-N 114.214 -1.357 . . . . 1.79 110.091 -173.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.6 t70 174.88 -178.37 0.1 Allowed 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 104.421 -2.437 . . . . 0.79 104.421 -178.385 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.521 ' HA ' ' C38' ' A' ' 101' ' ' SHW . 24.3 t -98.54 -41.22 7.86 Favored 'General case' 0 C--N 1.267 -2.992 0 CA-C-O 121.469 0.652 . . . . 1.23 109.527 -174.407 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 83.8 mt -78.76 -31.55 46.23 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 108.835 -0.802 . . . . 1.02 108.835 -177.09 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.734 ' HB3' HG22 ' A' ' 18' ' ' ILE . 15.0 m -70.76 -29.46 65.69 Favored 'General case' 0 N--CA 1.422 -1.832 0 CA-C-N 114.312 -1.313 . . . . 1.02 109.795 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.498 ' HE2' ' HB2' ' A' ' 43' ' ' MET . 31.2 tpp -62.77 -43.01 99.92 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 115.663 -0.699 . . . . 0.55 111.509 -177.702 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.409 ' O ' HG23 ' A' ' 48' ' ' VAL . 47.7 t -70.78 -29.44 37.76 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.493 0 CA-C-N 115.614 -0.721 . . . . 0.56 109.859 -176.676 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -72.96 -35.72 66.99 Favored 'General case' 0 N--CA 1.439 -0.981 0 N-CA-C 109.7 -0.482 . . . . 2.08 109.7 177.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 42' ' ' SER . 93.3 t -59.27 -45.91 92.73 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 N-CA-C 109.25 -0.648 . . . . 0.52 109.25 176.702 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.429 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 59.9 t -55.81 -63.21 0.63 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 CA-C-N 115.817 -0.629 . . . . 0.38 109.354 176.308 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.627 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 87.4 t -49.48 -48.08 19.81 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.348 0 O-C-N 123.858 0.723 . . . . 0.58 112.277 179.105 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.01 -29.2 68.96 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 112.44 0.533 . . . . 0.42 112.44 -178.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -67.55 -37.91 83.39 Favored 'General case' 0 C--O 1.25 1.112 0 CA-C-O 120.707 0.289 . . . . 0.38 110.312 178.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.627 ' OE1' ' HA ' ' A' ' 48' ' ' VAL . 26.6 mt-10 -59.72 -48.56 81.21 Favored 'General case' 0 CA--C 1.518 -0.256 0 N-CA-C 107.918 -1.141 . . . . 1.36 107.918 177.439 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -64.3 -30.64 71.68 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-N 113.706 -1.588 . . . . 2.09 111.062 -178.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.425 ' HD2' ' HA ' ' A' ' 53' ' ' ARG . 20.2 tpt180 -80.73 -53.29 6.64 Favored 'General case' 0 N--CA 1.439 -1.003 0 CA-C-O 121.096 0.474 . . . . 2.75 110.738 -173.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.559 ' HB2' HG12 ' A' ' 56' ' ' VAL . 55.1 m-85 -93.39 -6.53 46.97 Favored 'General case' 0 C--N 1.3 -1.552 0 CA-C-N 115.865 -0.607 . . . . 0.73 112.561 -171.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.2 t70 70.74 16.48 6.74 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.834 1.253 . . . . 2.02 111.014 178.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.586 ' O ' ' HA ' ' A' ' 51' ' ' GLU . 3.7 p -107.72 116.12 50.44 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.527 0 N-CA-C 107.668 -1.234 . . . . 1.61 107.668 176.043 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.9 tmtm? -73.16 96.77 2.28 Favored 'General case' 0 C--N 1.293 -1.854 0 CA-C-N 115.281 -0.872 . . . . 1.67 109.345 -175.487 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.619 ' H ' ' HG2' ' A' ' 51' ' ' GLU . 19.2 mt -101.04 99.12 9.83 Favored Pre-proline 0 C--N 1.312 -1.024 0 N-CA-C 108.216 -1.031 . . . . 0.49 108.216 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 63.2 Cg_endo -74.13 149.82 41.7 Favored 'Trans proline' 0 N--CA 1.445 -1.358 0 C-N-CA 121.636 1.558 . . . . 0.62 111.091 -178.349 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.517 ' HA ' ' CG1' ' A' ' 63' ' ' VAL . 4.6 p-10 -59.92 -14.61 16.45 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 122.992 0.517 . . . . 2.0 111.183 178.134 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.453 ' HA ' ' HE2' ' A' ' 64' ' ' LYS . 28.0 t70 -68.25 -56.84 7.24 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.048 -0.524 . . . . 2.09 111.518 174.262 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -83.87 -25.36 30.31 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-O 121.104 0.478 . . . . 1.58 110.839 -175.268 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.78 HG22 ' H5 ' ' A' ' 101' ' ' SHW . 1.4 p -57.35 -21.71 15.86 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.861 0 CA-C-N 115.768 -0.651 . . . . 0.69 111.363 -179.486 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.453 ' HE2' ' HA ' ' A' ' 61' ' ' ASP . 62.9 mttm -60.97 -13.16 14.28 Favored 'General case' 0 C--O 1.218 -0.591 0 C-N-CA 124.043 0.937 . . . . 2.44 112.853 -178.312 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 45.2 m-80 -91.28 -18.55 24.17 Favored 'General case' 0 CA--C 1.501 -0.912 0 N-CA-C 108.867 -0.79 . . . . 1.94 108.867 -179.377 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.789 HD13 ' HA ' ' A' ' 72' ' ' ALA . 14.1 mt -93.9 109.97 21.66 Favored 'General case' 0 N--CA 1.42 -1.972 0 N-CA-C 106.025 -1.843 . . . . 1.67 106.025 -179.516 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.78 -3.9 14.81 Favored 'General case' 0 C--N 1.28 -2.422 0 N-CA-C 113.539 0.94 . . . . 3.18 113.539 -178.481 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.605 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 81.3 p -129.44 176.13 8.21 Favored 'General case' 0 N--CA 1.432 -1.335 0 CA-C-O 121.397 0.618 . . . . 0.51 110.046 175.649 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.672 HG22 ' O ' ' A' ' 30' ' ' LYS . 2.2 m -66.71 -31.34 53.08 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.608 0 CA-C-N 114.243 -1.344 . . . . 0.35 110.098 171.41 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -73.8 -43.89 33.46 Favored Glycine 0 N--CA 1.431 -1.657 0 N-CA-C 110.495 -1.042 . . . . 0.3 110.495 178.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.545 ' HB3' ' HA ' ' A' ' 66' ' ' LEU . 10.6 m-20 -61.75 -41.87 98.23 Favored 'General case' 0 CA--C 1.5 -0.965 0 C-N-CA 122.169 0.188 . . . . 1.79 110.605 177.52 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.789 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -55.41 -59.77 4.34 Favored 'General case' 0 CA--C 1.517 -0.311 0 N-CA-C 108.973 -0.751 . . . . 0.29 108.973 176.58 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.477 ' HA ' HG21 ' A' ' 7' ' ' ILE . 91.6 m -48.71 -42.96 36.68 Favored 'General case' 0 C--O 1.192 -1.941 0 C-N-CA 124.011 0.924 . . . . 0.31 112.737 173.008 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 23.7 tptm -60.27 -33.19 71.97 Favored 'General case' 0 C--N 1.317 -0.83 0 C-N-CA 123.617 0.767 . . . . 2.93 111.068 -179.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.59 ' HB2' HD21 ' A' ' 66' ' ' LEU . 37.9 t80 -76.9 -54.85 6.05 Favored 'General case' 0 C--O 1.205 -1.241 0 N-CA-C 107.703 -1.221 . . . . 0.53 107.703 176.748 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.553 HG12 HD11 ' A' ' 58' ' ' ILE . 73.7 mt -56.56 -50.03 75.1 Favored 'Isoleucine or valine' 0 C--O 1.193 -1.918 0 C-N-CA 124.632 1.173 . . . . 0.27 111.373 -176.439 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 46.7 tp -53.5 -38.19 63.47 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.842 0.857 . . . . 1.15 111.349 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -87.08 -39.71 15.34 Favored 'General case' 0 C--N 1.293 -1.882 0 CA-C-N 114.511 -1.222 . . . . 0.67 111.446 -175.459 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 31.1 m-70 -90.62 5.33 48.41 Favored 'General case' 0 C--N 1.294 -1.808 0 CA-C-N 114.637 -1.165 . . . . 1.53 112.322 -175.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.515 ' NE2' HG22 ' A' ' 76' ' ' ILE . 69.5 mm-40 -37.92 140.62 0.25 Allowed 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 125.326 1.45 . . . . 0.89 114.547 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.418 -2.074 0 N-CA-C 107.099 -1.445 . . . . 2.36 107.099 174.652 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' SHW . . . . . 0.78 ' H5 ' HG22 ' A' ' 63' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.478 ' HA ' ' HG3' ' A' ' 80' ' ' GLN . . . . . . . . 0 C--O 1.239 0.525 0 N-CA-C 109.468 -0.567 . . . . 2.05 109.468 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -149.76 139.37 21.63 Favored 'General case' 0 CA--C 1.486 -1.494 0 N-CA-C 107.372 -1.344 . . . . 1.02 107.372 176.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.555 ' O ' HG13 ' A' ' 7' ' ' ILE . 1.2 m -65.73 140.31 58.43 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 107.358 -1.349 . . . . 1.05 107.358 179.571 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.53 ' HA ' HD12 ' A' ' 7' ' ' ILE . 50.5 mt-30 -60.01 -29.85 68.75 Favored 'General case' 0 C--N 1.314 -0.955 0 N-CA-C 114.725 1.38 . . . . 1.25 114.725 -168.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -75.59 -37.48 59.82 Favored 'General case' 0 C--N 1.302 -1.468 0 N-CA-C 108.077 -1.082 . . . . 2.3 108.077 -178.425 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.422 ' HB3' ' O ' ' A' ' 3' ' ' THR . 10.0 tp10 -62.71 -36.2 82.2 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 124.629 1.172 . . . . 1.92 108.667 175.259 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.555 HG13 ' O ' ' A' ' 3' ' ' THR . 46.8 mt -65.61 -57.5 10.57 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.471 0 N-CA-C 108.662 -0.866 . . . . 0.29 108.662 176.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.4 t -53.12 -39.06 31.98 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.957 0 CA-C-N 116.189 -0.459 . . . . 0.32 111.273 176.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.38 -38.45 84.75 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.182 0.515 . . . . 0.32 110.596 177.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.78 -35.12 91.54 Favored Glycine 0 C--O 1.206 -1.627 0 N-CA-C 110.476 -1.05 . . . . 0.31 110.476 178.135 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.486 ' O ' HG23 ' A' ' 15' ' ' VAL . 96.1 mt -68.31 -50.5 53.07 Favored 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 109.414 -0.587 . . . . 0.29 109.414 174.76 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -53.8 -43.39 69.28 Favored 'General case' 0 C--O 1.24 0.578 0 C-N-CA 124.166 0.986 . . . . 0.24 112.599 -177.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -64.73 -29.64 70.63 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-O 121.255 0.55 . . . . 1.46 111.923 -179.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.475 HD11 ' HB2' ' A' ' 53' ' ' ARG . 96.8 mt -80.04 -51.32 16.36 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.778 0 CA-C-N 115.688 -0.687 . . . . 0.41 109.197 179.461 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 11' ' ' LEU . 87.6 t -54.02 -43.97 60.71 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.443 0 CA-C-N 115.195 -0.911 . . . . 0.29 110.748 179.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.404 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 3.2 t-20 -59.71 -34.2 72.6 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-O 120.735 0.302 . . . . 0.64 111.055 -179.391 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -83.1 -45.93 13.39 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 112.387 0.514 . . . . 2.0 112.387 -176.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.644 HG21 ' HB2' ' A' ' 45' ' ' GLU . 79.5 mt -88.54 -53.82 8.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 CA-C-O 121.338 0.59 . . . . 0.28 111.727 -175.041 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.656 ' HB1' HG11 ' A' ' 38' ' ' VAL . . . -74.83 -38.74 61.94 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-N 115.834 -0.621 . . . . 0.34 109.577 -177.718 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 85.33 36.28 11.05 Favored Glycine 0 N--CA 1.438 -1.208 0 N-CA-C 110.351 -1.1 . . . . 0.46 110.351 -178.442 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.675 HG21 HD22 ' A' ' 36' ' ' LEU . 46.8 mm -117.1 128.43 26.03 Favored Pre-proline 0 C--N 1.307 -1.249 0 N-CA-C 107.538 -1.282 . . . . 0.42 107.538 178.777 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.425 ' HD2' ' HA ' ' A' ' 21' ' ' ILE . 3.8 Cg_exo -34.36 127.93 0.19 Allowed 'Trans proline' 0 C--N 1.351 0.678 1 C-N-CA 125.609 4.206 . . . . 0.41 115.161 176.504 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 91.5 t -53.14 -39.19 32.67 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 CA-C-N 114.541 -1.209 . . . . 0.69 108.164 174.594 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.9 mt-10 -79.73 -16.85 54.85 Favored 'General case' 0 C--N 1.29 -2.015 0 CA-C-N 113.583 -1.644 . . . . 2.34 112.726 -173.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.424 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 28.0 t70 -90.09 -14.76 33.09 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 108.303 -0.999 . . . . 0.69 108.303 -179.709 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.537 HG13 HG11 ' A' ' 69' ' ' VAL . 48.6 t -82.81 77.93 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.288 0 CA-C-O 122.851 1.31 . . . . 0.4 109.407 177.681 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.576 ' O ' HG21 ' A' ' 69' ' ' VAL . 15.6 pttt -110.13 170.52 8.02 Favored 'General case' 0 N--CA 1.422 -1.848 0 CA-C-N 113.484 -1.689 . . . . 1.67 108.389 175.549 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.666 ' HA ' HG23 ' A' ' 69' ' ' VAL . 5.3 tt -73.71 4.34 5.23 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 114.945 1.461 . . . . 1.08 114.945 -163.666 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -99.95 -0.43 39.43 Favored 'General case' 0 C--N 1.286 -2.192 0 O-C-N 121.436 -0.79 . . . . 2.11 110.146 175.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.547 ' O ' HG22 ' A' ' 69' ' ' VAL . 74.9 mmtt -89.6 117.86 28.8 Favored 'General case' 0 N--CA 1.419 -1.982 0 N-CA-C 113.727 1.01 . . . . 1.02 113.727 -173.23 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.686 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 30.6 t -88.09 113.07 23.36 Favored 'General case' 0 N--CA 1.401 -2.895 0 N-CA-C 105.054 -2.202 . . . . 1.16 105.054 168.445 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.663 ' HA ' HD12 ' A' ' 36' ' ' LEU . 58.3 m-85 -29.55 -92.22 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 115.396 1.628 . . . . 0.36 115.396 178.029 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.811 ' HB ' H38A ' A' ' 101' ' ' SHW . 0.0 OUTLIER -81.39 45.97 0.91 Allowed 'General case' 0 C--N 1.281 -2.408 0 N-CA-C 114.409 1.263 . . . . 0.47 114.409 178.456 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -147.53 -57.72 0.25 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.119 -0.491 . . . . 0.73 111.029 177.147 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -91.49 -45.03 8.75 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.296 -0.631 . . . . 1.46 109.296 -177.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.675 HD22 HG21 ' A' ' 21' ' ' ILE . 90.4 mt -70.2 -49.53 49.33 Favored 'General case' 0 CA--C 1.509 -0.597 0 N-CA-C 106.88 -1.526 . . . . 0.58 106.88 174.445 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.4 t70 69.05 80.68 0.19 Allowed 'General case' 0 CA--C 1.505 -0.776 0 CA-C-N 113.86 -1.518 . . . . 1.14 111.199 172.311 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.656 HG11 ' HB1' ' A' ' 19' ' ' ALA . 3.9 p -117.61 -102.53 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.414 -2.235 0 C-N-CA 119.525 -0.87 . . . . 1.79 112.967 178.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.643 ' H ' HG13 ' A' ' 38' ' ' VAL . 15.0 t70 -141.32 169.51 17.48 Favored 'General case' 0 C--N 1.293 -1.886 0 N-CA-C 106.701 -1.592 . . . . 0.79 106.701 -175.325 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.454 ' O ' HG23 ' A' ' 44' ' ' VAL . 34.4 p -111.05 -42.23 4.02 Favored 'General case' 0 C--N 1.27 -2.889 0 O-C-N 123.712 0.633 . . . . 1.23 110.55 -170.424 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 90.2 mt -66.59 -30.84 71.22 Favored 'General case' 0 C--N 1.315 -0.916 0 N-CA-C 108.012 -1.107 . . . . 1.02 108.012 174.172 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.594 ' HB2' ' HB3' ' A' ' 39' ' ' ASP . 20.3 m -75.9 -30.38 58.78 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-N 115.139 -0.937 . . . . 1.02 109.315 175.352 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.515 ' O ' HG23 ' A' ' 47' ' ' VAL . 32.2 tpp -64.54 -37.3 87.07 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 115.734 -0.666 . . . . 0.55 110.118 -179.795 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.468 ' O ' ' HB ' ' A' ' 47' ' ' VAL . 43.6 t -64.56 -34.9 72.72 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 CA-C-N 115.939 -0.573 . . . . 0.56 110.329 179.269 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.644 ' HB2' HG21 ' A' ' 18' ' ' ILE . 25.4 mm-40 -69.21 -35.62 76.41 Favored 'General case' 0 N--CA 1.443 -0.821 0 N-CA-C 109.12 -0.696 . . . . 2.08 109.12 179.028 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 90.4 t -60.44 -46.67 94.89 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.501 0 N-CA-C 108.672 -0.862 . . . . 0.52 108.672 175.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.57 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 85.7 t -52.24 -64.02 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 O-C-N 123.914 0.759 . . . . 0.38 109.424 175.136 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 85.4 t -49.23 -45.8 18.09 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.249 0 C-N-CA 123.688 0.795 . . . . 0.58 112.031 179.124 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.1 -33.32 71.72 Favored 'General case' 0 C--N 1.321 -0.658 0 O-C-N 122.04 -0.412 . . . . 0.42 111.97 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -65.5 -38.35 89.46 Favored 'General case' 0 CA--C 1.506 -0.734 0 N-CA-C 109.078 -0.712 . . . . 0.38 109.078 176.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.57 ' HG3' ' O ' ' A' ' 47' ' ' VAL . 35.3 mt-10 -58.1 -41.9 84.54 Favored 'General case' 0 C--O 1.213 -0.851 0 CA-C-N 115.163 -0.926 . . . . 1.36 110.15 175.525 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -69.75 -42.37 73.99 Favored 'General case' 0 C--N 1.312 -1.042 0 C-N-CA 123.837 0.855 . . . . 2.09 111.455 177.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.475 ' HB2' HD11 ' A' ' 14' ' ' ILE . 2.3 tpm_? -66.25 -36.63 83.51 Favored 'General case' 0 C--N 1.311 -1.065 0 C-N-CA 124.512 1.125 . . . . 2.75 110.584 -172.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.504 ' CE1' ' HA ' ' A' ' 7' ' ' ILE . 43.5 m-85 -112.38 -8.51 13.9 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 113.22 0.822 . . . . 0.73 113.22 -174.62 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 66.39 8.0 5.38 Favored 'General case' 0 N--CA 1.504 2.262 0 C-N-CA 124.252 1.021 . . . . 2.02 111.552 -177.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.49 HG12 ' HB2' ' A' ' 54' ' ' PHE . 5.7 p -68.19 -45.84 82.28 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.39 0 C-N-CA 124.484 1.114 . . . . 1.61 113.584 -173.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.4 ' HD2' ' HB3' ' A' ' 51' ' ' GLU . 4.5 mmmp? 68.16 112.12 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.813 0 CA-C-O 122.119 0.961 . . . . 1.67 110.961 -171.794 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.614 HD11 HG12 ' A' ' 76' ' ' ILE . 40.6 mt -136.01 93.89 14.92 Favored Pre-proline 0 C--N 1.288 -2.078 0 N-CA-C 105.27 -2.122 . . . . 0.49 105.27 -177.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_endo -60.41 136.08 65.5 Favored 'Trans proline' 0 N--CA 1.452 -0.916 0 C-N-CA 122.012 1.808 . . . . 0.62 111.962 -175.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.557 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 25.8 t70 -40.89 -31.64 0.18 Allowed 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 124.803 1.241 . . . . 2.0 113.279 175.664 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -60.52 -56.79 17.16 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-O 121.783 0.801 . . . . 2.09 110.194 177.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -86.43 -20.63 27.89 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.14 -0.936 . . . . 1.58 111.54 -171.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.519 HG12 ' O ' ' A' ' 60' ' ' ASP . 3.8 p -63.81 -22.66 31.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.935 -0.575 . . . . 0.69 110.717 179.489 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.557 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 64.5 mttm -62.89 -19.7 64.43 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.845 -0.616 . . . . 2.44 112.12 -177.177 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 43.2 m-80 -82.38 -17.65 44.78 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.115 -0.493 . . . . 1.94 111.504 -178.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.717 HD13 ' HA ' ' A' ' 72' ' ' ALA . 69.1 mt -65.14 -66.38 0.55 Allowed 'General case' 0 N--CA 1.467 0.38 0 O-C-N 123.365 0.416 . . . . 1.67 111.758 -175.031 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt 73.3 -48.59 0.68 Allowed 'General case' 0 N--CA 1.491 1.59 0 C-N-CA 124.817 1.247 . . . . 3.18 112.889 178.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.686 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 35.0 p -107.46 162.2 14.15 Favored 'General case' 0 C--N 1.294 -1.806 0 CA-C-O 121.31 0.576 . . . . 0.51 112.155 -177.122 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.666 HG23 ' HA ' ' A' ' 28' ' ' LEU . 6.5 m -64.83 -37.6 80.6 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.284 0 CA-C-N 114.597 -1.183 . . . . 0.35 109.597 172.627 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.443 ' CA ' ' HG ' ' A' ' 28' ' ' LEU . . . -64.32 -46.62 90.18 Favored Glycine 0 N--CA 1.435 -1.371 0 CA-C-N 115.411 -0.813 . . . . 0.3 112.464 178.387 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.468 ' OD1' ' HA ' ' A' ' 66' ' ' LEU . 10.5 t70 -68.54 -35.59 77.65 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.646 -0.501 . . . . 1.79 109.646 -179.516 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.717 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -57.74 -59.33 5.37 Favored 'General case' 0 C--O 1.218 -0.561 0 N-CA-C 109.061 -0.718 . . . . 0.29 109.061 174.728 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.461 ' HA ' HG21 ' A' ' 7' ' ' ILE . 63.3 m -48.25 -46.58 35.77 Favored 'General case' 0 C--O 1.199 -1.584 0 C-N-CA 123.962 0.905 . . . . 0.31 112.249 172.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -61.15 -29.49 69.82 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-O 121.21 0.529 . . . . 2.93 111.849 178.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -77.22 -51.04 11.61 Favored 'General case' 0 C--N 1.31 -1.134 0 N-CA-C 107.115 -1.439 . . . . 0.53 107.115 177.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.614 HG12 HD11 ' A' ' 58' ' ' ILE . 72.4 mt -60.31 -51.27 74.96 Favored 'Isoleucine or valine' 0 C--O 1.187 -2.203 0 C-N-CA 124.54 1.136 . . . . 0.27 111.236 -178.455 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.599 ' HA ' HE21 ' A' ' 80' ' ' GLN . 31.0 tp -54.9 -35.74 64.44 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.015 0.526 . . . . 1.15 111.599 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -88.54 -28.25 20.89 Favored 'General case' 0 C--N 1.298 -1.669 0 CA-C-O 122.007 0.908 . . . . 0.67 111.385 -177.558 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 33.6 m-70 -99.18 5.75 46.66 Favored 'General case' 0 C--N 1.304 -1.403 0 CA-C-N 115.018 -0.992 . . . . 1.53 112.916 -177.435 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.599 HE21 ' HA ' ' A' ' 77' ' ' LEU . 78.5 mm-40 -39.06 139.41 0.48 Allowed 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 124.916 1.286 . . . . 0.89 113.311 178.257 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.431 -1.419 0 CA-C-N 115.29 -0.868 . . . . 2.36 109.182 178.139 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' SHW . . . . . 0.811 H38A ' HB ' ' A' ' 33' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.515 -0.394 0 N-CA-C 108.132 -1.062 . . . . 2.05 108.132 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -146.58 152.15 38.47 Favored 'General case' 0 CA--C 1.483 -1.622 0 N-CA-C 109.137 -0.69 . . . . 1.02 109.137 -177.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.579 ' O ' HG13 ' A' ' 7' ' ' ILE . 35.8 p -63.88 142.62 58.34 Favored 'General case' 0 N--CA 1.43 -1.426 0 O-C-N 124.072 0.857 . . . . 1.05 109.466 178.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.508 ' HA ' HD12 ' A' ' 7' ' ' ILE . 23.7 mt-30 -60.62 -26.19 66.83 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 112.848 0.684 . . . . 1.25 112.848 -174.593 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -67.72 -38.9 84.23 Favored 'General case' 0 C--N 1.307 -1.263 0 N-CA-C 109.407 -0.59 . . . . 2.3 109.407 176.165 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -71.52 -34.04 69.72 Favored 'General case' 0 N--CA 1.435 -1.209 0 N-CA-C 108.383 -0.969 . . . . 1.92 108.383 -178.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.637 HG21 ' HA ' ' A' ' 73' ' ' THR . 36.9 mt -63.46 -55.97 19.82 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.992 0 CA-C-N 114.899 -1.046 . . . . 0.29 108.926 177.072 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 70.5 t -55.53 -38.15 48.39 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.9 0 CA-C-N 116.296 -0.411 . . . . 0.32 110.93 176.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.34 -42.96 98.97 Favored 'General case' 0 C--O 1.242 0.692 0 CA-C-O 121.064 0.459 . . . . 0.32 110.037 177.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.4 -37.11 94.31 Favored Glycine 0 C--O 1.217 -0.909 0 CA-C-N 115.463 -0.79 . . . . 0.31 111.347 176.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.482 ' O ' HG23 ' A' ' 15' ' ' VAL . 70.5 mt -64.48 -49.82 69.9 Favored 'General case' 0 N--CA 1.434 -1.256 0 N-CA-C 109.985 -0.376 . . . . 0.29 109.985 175.676 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.404 ' HB1' HG13 ' A' ' 23' ' ' VAL . . . -54.13 -43.29 70.38 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 123.677 0.791 . . . . 0.24 111.952 -179.275 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -64.52 -43.21 94.76 Favored 'General case' 0 C--O 1.239 0.509 0 N-CA-C 112.779 0.659 . . . . 1.46 112.779 179.051 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.541 HD11 ' HG2' ' A' ' 53' ' ' ARG . 96.4 mt -65.31 -46.93 89.05 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.194 0 CA-C-O 121.399 0.619 . . . . 0.41 110.392 179.066 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.648 HG12 ' HB ' ' A' ' 21' ' ' ILE . 98.9 t -58.74 -36.73 62.0 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.823 0 CA-C-N 115.436 -0.802 . . . . 0.29 110.919 -179.75 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -66.08 -34.27 77.7 Favored 'General case' 0 C--N 1.305 -1.334 0 C-N-CA 120.258 -0.577 . . . . 0.64 111.275 179.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -77.37 -50.32 13.02 Favored 'General case' 0 C--N 1.307 -1.241 0 CA-C-N 116.142 -0.481 . . . . 2.0 111.286 -179.098 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.536 HG21 ' HB2' ' A' ' 45' ' ' GLU . 80.6 mt -86.39 -53.5 10.19 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.622 0 N-CA-C 112.556 0.576 . . . . 0.28 112.556 -174.365 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.526 ' HB2' HG13 ' A' ' 38' ' ' VAL . . . -76.87 -32.27 57.38 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 121.239 0.542 . . . . 0.34 110.136 -177.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.22 31.06 29.23 Favored Glycine 0 CA--C 1.494 -1.221 0 N-CA-C 110.485 -1.046 . . . . 0.46 110.485 -178.35 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.648 ' HB ' HG12 ' A' ' 15' ' ' VAL . 46.9 mm -108.13 128.91 24.85 Favored Pre-proline 0 C--N 1.305 -1.359 0 CA-C-N 115.556 -0.322 . . . . 0.42 110.5 -176.079 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.441 ' HD2' ' HA ' ' A' ' 21' ' ' ILE . 16.3 Cg_exo -31.97 127.24 0.09 OUTLIER 'Trans proline' 0 N--CA 1.451 -1.029 1 C-N-CA 125.495 4.13 . . . . 0.41 114.035 172.201 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.404 HG13 ' HB1' ' A' ' 12' ' ' ALA . 84.1 t -57.74 -26.06 26.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 114.616 -1.175 . . . . 0.69 109.603 178.219 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -95.59 -8.92 33.63 Favored 'General case' 0 N--CA 1.426 -1.669 0 CA-C-N 115.454 -0.794 . . . . 2.34 112.421 -176.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.45 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 33.6 t70 -85.02 -26.58 26.96 Favored 'General case' 0 CA--C 1.504 -0.797 0 N-CA-C 106.981 -1.488 . . . . 0.69 106.981 177.045 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.535 HG13 HG11 ' A' ' 69' ' ' VAL . 73.5 t -73.4 84.79 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.716 0 CA-C-N 113.972 -1.467 . . . . 0.4 109.508 175.078 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.576 ' O ' HG21 ' A' ' 69' ' ' VAL . 87.4 mttt -95.01 -146.1 0.27 Allowed 'General case' 0 C--N 1.299 -1.629 0 CA-C-N 113.882 -1.508 . . . . 1.67 107.273 177.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.448 ' O ' HD23 ' A' ' 28' ' ' LEU . 6.0 tt -113.38 -18.46 12.02 Favored 'General case' 0 C--N 1.309 -1.183 0 CA-C-N 119.512 1.051 . . . . 1.08 111.772 -176.548 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -86.98 -7.08 58.5 Favored 'General case' 0 C--N 1.303 -1.455 0 CA-C-O 122.893 1.33 . . . . 2.11 109.474 178.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.652 ' O ' HG22 ' A' ' 69' ' ' VAL . 32.9 mmtm -76.45 100.09 5.11 Favored 'General case' 0 C--N 1.295 -1.799 0 CA-C-N 113.424 -1.716 . . . . 1.02 114.435 -172.261 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.668 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 8.0 m -73.6 110.42 7.87 Favored 'General case' 0 N--CA 1.399 -2.983 0 N-CA-C 106.808 -1.552 . . . . 1.16 106.808 170.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.847 ' HA ' HD12 ' A' ' 36' ' ' LEU . 95.1 m-85 -31.38 -80.9 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.674 1.19 . . . . 0.36 113.9 177.058 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.463 HG21 H38A ' A' ' 101' ' ' SHW . 0.2 OUTLIER -79.76 48.34 0.93 Allowed 'General case' 0 C--N 1.297 -1.698 0 N-CA-C 114.353 1.242 . . . . 0.47 114.353 -179.824 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.668 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 23.9 t70 -158.57 -61.72 0.08 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.803 -0.635 . . . . 0.73 110.981 178.714 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.462 ' HB3' ' HD3' ' A' ' 30' ' ' LYS . 1.8 t70 -94.74 -34.34 12.57 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-N 116.121 -0.491 . . . . 1.46 110.052 -175.235 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.847 HD12 ' HA ' ' A' ' 32' ' ' PHE . 91.6 mt -79.91 -42.59 23.79 Favored 'General case' 0 C--O 1.243 0.753 0 CA-C-N 116.132 -0.486 . . . . 0.58 110.398 178.086 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.1 t70 74.45 85.28 0.1 Allowed 'General case' 0 CA--C 1.505 -0.781 0 O-C-N 124.623 1.202 . . . . 1.14 110.303 -175.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.526 HG13 ' HB2' ' A' ' 19' ' ' ALA . 86.7 t -94.11 -93.6 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.299 -1.594 0 CA-C-N 114.171 -1.377 . . . . 1.79 108.53 -179.577 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.3 t70 170.93 176.04 0.06 Allowed 'General case' 0 CA--C 1.494 -1.197 0 N-CA-C 103.534 -2.765 . . . . 0.79 103.534 -178.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.7 t -92.46 -37.12 12.71 Favored 'General case' 0 C--N 1.266 -3.061 0 N-CA-C 109.155 -0.683 . . . . 1.23 109.155 -175.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 91.2 mt -82.59 -34.79 27.57 Favored 'General case' 0 C--N 1.306 -1.319 0 CA-C-N 115.747 -0.661 . . . . 1.02 109.543 -176.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.454 ' HB3' HG22 ' A' ' 18' ' ' ILE . 15.2 m -70.65 -23.48 62.52 Favored 'General case' 0 N--CA 1.436 -1.161 0 CA-C-N 114.978 -1.01 . . . . 1.02 109.608 -179.278 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.506 ' HB2' ' HE2' ' A' ' 43' ' ' MET . 24.0 tpp -61.31 -48.4 81.51 Favored 'General case' 0 N--CA 1.438 -1.065 0 CA-C-N 115.593 -0.73 . . . . 0.55 110.949 179.393 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.402 ' O ' HG23 ' A' ' 48' ' ' VAL . 57.7 t -67.86 -24.71 31.0 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.519 0 CA-C-N 115.449 -0.796 . . . . 0.56 110.762 -177.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.536 ' HB2' HG21 ' A' ' 18' ' ' ILE . 37.0 mt-10 -73.26 -36.63 66.4 Favored 'General case' 0 N--CA 1.431 -1.422 0 N-CA-C 108.575 -0.898 . . . . 2.08 108.575 178.763 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 42' ' ' SER . 85.4 t -61.32 -47.34 93.94 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.588 0 N-CA-C 108.5 -0.926 . . . . 0.52 108.5 174.512 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.584 HG13 HG21 ' A' ' 63' ' ' VAL . 97.9 t -52.85 -64.8 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.779 0 O-C-N 124.01 0.819 . . . . 0.38 109.886 177.767 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 44' ' ' VAL . 85.2 t -45.83 -52.74 2.6 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 C-N-CA 123.489 0.716 . . . . 0.58 112.286 175.389 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.02 -33.46 76.1 Favored 'General case' 0 N--CA 1.466 0.334 0 N-CA-C 112.347 0.499 . . . . 0.42 112.347 -177.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -64.21 -36.7 84.93 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.903 0.383 . . . . 0.38 110.415 179.219 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.652 ' HG2' ' H ' ' A' ' 58' ' ' ILE . 32.6 mt-10 -61.94 -31.56 71.9 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-O 121.901 0.858 . . . . 1.36 110.272 179.715 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -82.59 -47.47 12.07 Favored 'General case' 0 C--N 1.302 -1.488 0 CA-C-N 114.736 -1.12 . . . . 2.09 109.913 -179.359 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.541 ' HG2' HD11 ' A' ' 14' ' ' ILE . 52.4 tpt85 -71.56 -34.3 69.86 Favored 'General case' 0 C--N 1.317 -0.816 0 C-N-CA 123.796 0.839 . . . . 2.75 112.328 -173.599 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.473 ' CD2' HG21 ' A' ' 76' ' ' ILE . 88.9 m-85 -100.31 -2.06 34.59 Favored 'General case' 0 C--N 1.298 -1.656 0 CA-C-N 115.975 -0.557 . . . . 0.73 111.428 -177.385 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 36.4 t70 69.51 -5.61 1.13 Allowed 'General case' 0 N--CA 1.488 1.437 0 C-N-CA 123.971 0.908 . . . . 2.02 112.803 178.177 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.593 ' O ' ' HA ' ' A' ' 51' ' ' GLU . 8.1 p -106.61 126.31 62.43 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.88 0 O-C-N 121.885 -0.509 . . . . 1.61 110.699 -177.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 4.0 mmmp? -70.18 123.39 21.5 Favored 'General case' 0 C--N 1.307 -1.246 0 CA-C-N 115.61 -0.723 . . . . 1.67 110.086 178.067 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.694 HG22 HG23 ' A' ' 63' ' ' VAL . 47.3 mt -132.42 103.44 13.71 Favored Pre-proline 0 C--N 1.304 -1.382 0 N-CA-C 107.131 -1.433 . . . . 0.49 107.131 -178.414 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -81.73 156.12 18.29 Favored 'Trans proline' 0 N--CA 1.433 -2.066 0 C-N-CA 121.219 1.279 . . . . 0.62 112.133 -177.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.639 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 3.5 m-20 -35.59 -48.26 0.51 Allowed 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 125.075 1.35 . . . . 2.0 111.587 174.043 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -49.42 -53.84 20.6 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.927 0.891 . . . . 2.09 113.146 -178.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.433 ' O ' ' HG ' ' A' ' 66' ' ' LEU . 21.1 m-20 -75.3 -33.48 61.2 Favored 'General case' 0 CA--C 1.49 -1.356 0 CA-C-O 120.98 0.419 . . . . 1.58 110.432 -178.049 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.694 HG23 HG22 ' A' ' 58' ' ' ILE . 2.2 t -55.47 -32.3 29.65 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.214 0 CA-C-N 115.204 -0.907 . . . . 0.69 111.272 176.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.639 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 95.5 mttt -68.38 -19.99 64.66 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.497 -0.774 . . . . 2.44 112.291 179.6 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 45.1 m-20 -94.45 -6.08 44.79 Favored 'General case' 0 C--N 1.309 -1.187 0 N-CA-C 109.01 -0.737 . . . . 1.94 109.01 -178.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.878 HD13 ' HA ' ' A' ' 72' ' ' ALA . 58.7 mt -92.19 -66.09 0.95 Allowed 'General case' 0 N--CA 1.43 -1.446 0 CA-C-N 115.565 -0.743 . . . . 1.67 109.721 -177.355 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 1.093 ' HA ' ' H3 ' ' A' ' 101' ' ' SHW 0.437 0.0 OUTLIER 54.76 -6.34 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 117.874 2.546 . . . . 3.18 117.874 -179.735 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.616 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 61.5 p -128.82 170.69 13.06 Favored 'General case' 0 CA--C 1.493 -1.243 0 O-C-N 121.405 -0.81 . . . . 0.51 109.776 173.351 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.652 HG22 ' O ' ' A' ' 30' ' ' LYS . 2.2 m -65.45 -47.55 86.33 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.738 0 CA-C-N 114.498 -1.228 . . . . 0.35 110.349 172.115 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -62.19 -42.97 99.73 Favored Glycine 0 CA--C 1.498 -0.986 0 CA-C-N 116.198 -0.455 . . . . 0.3 112.368 -179.109 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.43 ' HB3' ' HA ' ' A' ' 66' ' ' LEU . 5.7 m-20 -68.32 -39.11 82.08 Favored 'General case' 0 CA--C 1.5 -0.952 0 CA-C-O 119.673 -0.204 . . . . 1.79 111.208 178.42 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.878 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -56.93 -55.13 38.54 Favored 'General case' 0 CA--C 1.51 -0.566 0 N-CA-C 108.354 -0.98 . . . . 0.29 108.354 175.726 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.637 ' HA ' HG21 ' A' ' 7' ' ' ILE . 91.4 m -48.32 -48.55 36.01 Favored 'General case' 0 N--CA 1.434 -1.23 0 C-N-CA 124.766 1.226 . . . . 0.31 112.536 173.266 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -61.45 -30.3 70.5 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 120.758 0.313 . . . . 2.93 111.64 -179.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.475 ' HB2' HD21 ' A' ' 66' ' ' LEU . 57.8 t80 -76.7 -44.71 32.42 Favored 'General case' 0 CA--C 1.492 -1.26 0 N-CA-C 107.52 -1.289 . . . . 0.53 107.52 177.085 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.575 HG12 HD11 ' A' ' 58' ' ' ILE . 84.7 mt -61.72 -49.92 82.35 Favored 'Isoleucine or valine' 0 C--O 1.196 -1.717 0 CA-C-N 115.299 -0.864 . . . . 0.27 110.46 -178.727 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -55.93 -41.06 74.02 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-O 121.133 0.492 . . . . 1.15 110.998 179.106 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -81.09 -39.26 25.95 Favored 'General case' 0 C--N 1.299 -1.611 0 CA-C-N 115.586 -0.734 . . . . 0.67 112.715 -175.46 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -101.36 -3.45 28.77 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 115.011 1.486 . . . . 1.53 115.011 -172.389 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.413 ' NE2' HG22 ' A' ' 76' ' ' ILE . 11.2 pt20 -80.9 -177.27 6.31 Favored 'General case' 0 CA--C 1.51 -0.578 0 C-N-CA 118.873 -1.131 . . . . 0.89 111.958 -174.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.406 -2.667 0 N-CA-C 107.681 -1.229 . . . . 2.36 107.681 177.889 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' SHW . . . . . 1.093 ' H3 ' ' HA ' ' A' ' 67' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.516 ' HA ' ' HG3' ' A' ' 80' ' ' GLN . . . . . . . . 0 CA--C 1.504 -0.808 0 N-CA-C 108.281 -1.007 . . . . 2.05 108.281 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -93.94 165.82 12.47 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 119.709 -0.796 . . . . 1.02 109.623 -178.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.501 ' O ' HG13 ' A' ' 7' ' ' ILE . 0.3 OUTLIER -75.89 118.45 18.69 Favored 'General case' 0 N--CA 1.413 -2.314 0 N-CA-C 106.667 -1.605 . . . . 1.05 106.667 173.593 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -49.75 -37.65 30.56 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.212 0.605 . . . . 1.25 111.811 -175.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -63.14 -36.49 83.78 Favored 'General case' 0 C--N 1.305 -1.363 0 C-N-CA 124.091 0.956 . . . . 2.3 109.871 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -73.12 -32.4 64.92 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.261 -0.644 . . . . 1.92 109.261 178.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.554 ' HB ' HG23 ' A' ' 73' ' ' THR . 20.5 mt -68.23 -52.72 35.0 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.251 0 N-CA-C 107.675 -1.232 . . . . 0.29 107.675 178.447 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 74.1 t -55.93 -44.5 78.24 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.178 0 CA-C-N 115.679 -0.691 . . . . 0.32 110.382 175.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.84 -34.85 78.85 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.145 0.498 . . . . 0.32 110.81 177.368 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -66.32 -44.38 90.77 Favored Glycine 0 C--O 1.211 -1.292 0 N-CA-C 110.151 -1.179 . . . . 0.31 110.151 177.048 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 95.7 mt -59.96 -45.26 93.25 Favored 'General case' 0 C--N 1.312 -1.058 0 N-CA-C 109.235 -0.654 . . . . 0.29 109.235 175.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.473 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -55.51 -45.39 77.09 Favored 'General case' 0 N--CA 1.443 -0.792 0 CA-C-N 115.356 -0.838 . . . . 0.24 111.922 178.775 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -69.61 -32.12 70.66 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.728 0.64 . . . . 1.46 112.728 -179.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 85.4 mt -67.57 -54.04 26.69 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.232 0 N-CA-C 108.388 -0.967 . . . . 0.41 108.388 175.253 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.644 HG12 ' HB ' ' A' ' 21' ' ' ILE . 71.5 t -58.72 -41.57 82.82 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.237 0 CA-C-N 114.909 -1.041 . . . . 0.29 111.225 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -63.96 -33.17 75.12 Favored 'General case' 0 C--N 1.301 -1.53 0 CA-C-O 120.957 0.408 . . . . 0.64 111.649 179.374 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -77.89 -50.73 11.66 Favored 'General case' 0 C--N 1.304 -1.382 0 CA-C-N 115.606 -0.725 . . . . 2.0 110.852 -179.16 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.709 HG21 ' HB2' ' A' ' 45' ' ' GLU . 61.4 mt -88.91 -53.76 8.94 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.053 0 N-CA-C 112.513 0.56 . . . . 0.28 112.513 -173.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.77 ' HB2' HG13 ' A' ' 38' ' ' VAL . . . -74.05 -37.51 64.26 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 121.541 0.686 . . . . 0.34 109.737 -178.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.39 25.37 28.52 Favored Glycine 0 N--CA 1.447 -0.583 0 CA-C-N 114.966 -1.015 . . . . 0.46 110.828 -178.121 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.644 ' HB ' HG12 ' A' ' 15' ' ' VAL . 49.8 mm -99.93 130.93 25.29 Favored Pre-proline 0 C--N 1.311 -1.076 0 O-C-N 122.785 -0.244 . . . . 0.42 110.73 -176.517 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.505 ' HD2' ' HA ' ' A' ' 21' ' ' ILE . 7.5 Cg_exo -32.96 125.95 0.11 Allowed 'Trans proline' 0 C--N 1.358 1.052 1 C-N-CA 125.817 4.345 . . . . 0.41 114.627 173.692 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.473 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 85.9 t -57.82 -29.58 35.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 114.182 -1.372 . . . . 0.69 109.739 178.621 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -104.15 11.14 35.44 Favored 'General case' 0 N--CA 1.42 -1.93 0 N-CA-C 112.916 0.71 . . . . 2.34 112.916 -176.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.417 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 16.0 t70 -97.44 -26.38 14.87 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 105.441 -2.059 . . . . 0.69 105.441 170.042 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.563 HG13 HG11 ' A' ' 69' ' ' VAL . 58.4 t -74.03 87.1 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.962 0 CA-C-N 113.948 -1.478 . . . . 0.4 109.333 175.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.488 ' O ' HG21 ' A' ' 69' ' ' VAL . 94.4 mttt -98.25 -142.29 0.31 Allowed 'General case' 0 C--N 1.293 -1.871 0 CA-C-N 113.483 -1.689 . . . . 1.67 108.091 178.241 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.1 tt -116.16 -20.63 9.76 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-N 119.407 1.003 . . . . 1.08 111.504 -176.568 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -84.39 -11.99 55.27 Favored 'General case' 0 C--N 1.302 -1.471 0 CA-C-O 122.344 1.068 . . . . 2.11 109.531 -179.228 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.714 ' O ' HG22 ' A' ' 69' ' ' VAL . 55.8 mmtt -73.71 120.04 18.76 Favored 'General case' 0 C--N 1.293 -1.885 0 CA-C-N 114.23 -1.35 . . . . 1.02 114.609 -170.349 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.413 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 23.7 m -79.96 109.48 14.44 Favored 'General case' 0 N--CA 1.399 -3.015 0 N-CA-C 107.493 -1.299 . . . . 1.16 107.493 170.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.853 ' HA ' HD12 ' A' ' 36' ' ' LEU . 45.5 m-85 -31.49 -89.27 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.701 0 C-N-CA 124.627 1.171 . . . . 0.36 114.085 175.217 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.498 HG23 ' HE2' ' A' ' 43' ' ' MET . 0.0 OUTLIER -75.91 58.73 1.18 Allowed 'General case' 0 C--N 1.29 -1.995 0 N-CA-C 113.171 0.804 . . . . 0.47 113.171 177.845 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.413 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 26.7 t70 -167.76 -64.61 0.03 OUTLIER 'General case' 0 C--O 1.217 -0.641 0 CA-C-N 116.037 -0.529 . . . . 0.73 111.447 177.711 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -88.77 -45.24 9.94 Favored 'General case' 0 CA--C 1.501 -0.911 0 N-CA-C 109.022 -0.733 . . . . 1.46 109.022 -176.133 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.853 HD12 ' HA ' ' A' ' 32' ' ' PHE . 94.1 mt -69.53 -47.79 62.61 Favored 'General case' 0 CA--C 1.504 -0.796 0 N-CA-C 107.483 -1.303 . . . . 0.58 107.483 175.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 38.8 t70 72.41 91.11 0.09 Allowed 'General case' 0 CA--C 1.506 -0.746 0 CA-C-N 113.666 -1.606 . . . . 1.14 110.655 178.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.77 HG13 ' HB2' ' A' ' 19' ' ' ALA . 95.9 t -93.87 -90.63 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.291 -1.964 0 CA-C-N 113.126 -1.852 . . . . 1.79 108.552 -174.222 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.532 ' HB3' ' CB ' ' A' ' 42' ' ' SER . 9.5 t70 171.07 172.08 0.08 Allowed 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 104.394 -2.447 . . . . 0.79 104.394 -179.74 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.451 ' HA ' H28A ' A' ' 101' ' ' SHW . 0.7 OUTLIER -82.49 -43.12 17.59 Favored 'General case' 0 C--N 1.258 -3.375 0 N-CA-C 108.258 -1.016 . . . . 1.23 108.258 -173.713 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 93.4 mt -86.8 -35.3 19.2 Favored 'General case' 0 C--N 1.301 -1.512 0 CA-C-N 114.029 -1.442 . . . . 1.02 110.368 -175.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.573 ' OG ' HG22 ' A' ' 18' ' ' ILE . 23.0 t -61.86 -31.23 71.48 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 114.662 -1.154 . . . . 1.02 108.66 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.5 ' O ' HG23 ' A' ' 47' ' ' VAL . 30.2 tpp -60.65 -39.74 89.46 Favored 'General case' 0 N--CA 1.436 -1.144 0 CA-C-N 114.768 -1.106 . . . . 0.55 111.749 178.821 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 38.7 t -70.96 -29.44 37.22 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-O 121.263 0.554 . . . . 0.56 109.754 -175.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.709 ' HB2' HG21 ' A' ' 18' ' ' ILE . 5.7 mm-40 -72.22 -40.74 67.55 Favored 'General case' 0 N--CA 1.427 -1.592 0 N-CA-C 107.704 -1.221 . . . . 2.08 107.704 178.1 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 42' ' ' SER . 92.4 t -56.37 -50.11 73.62 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-N 115.594 -0.73 . . . . 0.52 109.413 175.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 43' ' ' MET . 94.5 t -50.28 -63.53 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 O-C-N 123.911 0.757 . . . . 0.38 109.756 176.337 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 97.1 t -51.97 -47.11 42.24 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.403 0 CA-C-N 115.899 -0.591 . . . . 0.58 112.54 178.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.36 -25.83 66.17 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.44 0.533 . . . . 0.42 112.44 -178.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -66.83 -35.14 79.38 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.093 0.473 . . . . 0.38 110.014 178.207 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.666 ' HG2' ' H ' ' A' ' 58' ' ' ILE . 31.3 mt-10 -65.77 -24.66 66.99 Favored 'General case' 0 C--O 1.213 -0.844 0 C-N-CA 123.664 0.786 . . . . 1.36 109.515 178.16 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -83.54 -48.67 10.02 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-O 121.321 0.582 . . . . 2.09 109.501 175.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.3 tpm_? -68.09 -34.12 75.81 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 123.763 0.825 . . . . 2.75 111.519 -172.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.481 ' CD2' HD13 ' A' ' 76' ' ' ILE . 38.8 m-85 -114.07 -3.52 13.28 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-N 115.912 -0.585 . . . . 0.73 112.006 -176.126 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 10.0 t70 72.3 -23.24 0.2 Allowed 'General case' 0 N--CA 1.506 2.338 0 C-N-CA 125.698 1.599 . . . . 2.02 112.269 -179.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.499 ' O ' ' HA ' ' A' ' 51' ' ' GLU . 4.8 p -75.66 122.23 29.12 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.114 0 CA-C-O 121.241 0.543 . . . . 1.61 110.32 -175.476 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 16.5 tptm -72.34 113.24 9.16 Favored 'General case' 0 C--N 1.302 -1.494 0 N-CA-C 107.772 -1.196 . . . . 1.67 107.772 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.666 ' H ' ' HG2' ' A' ' 51' ' ' GLU . 37.9 mt -116.86 99.48 52.92 Favored Pre-proline 0 C--N 1.298 -1.671 0 N-CA-C 106.359 -1.719 . . . . 0.49 106.359 -178.2 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_endo -69.5 133.86 27.09 Favored 'Trans proline' 0 N--CA 1.446 -1.298 0 C-N-CA 122.087 1.858 . . . . 0.62 113.555 -173.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.402 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 3.0 t70 -37.53 -33.25 0.07 Allowed 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 125.771 1.628 . . . . 2.0 113.956 172.529 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.497 ' HA ' ' HE2' ' A' ' 64' ' ' LYS . 27.3 t70 -75.12 -46.3 35.42 Favored 'General case' 0 C--N 1.296 -1.741 0 N-CA-C 112.109 0.411 . . . . 2.09 112.109 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -86.64 -21.79 26.53 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-O 121.716 0.77 . . . . 1.58 110.916 -174.19 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.528 HG13 ' S1 ' ' A' ' 101' ' ' SHW . 6.0 p -65.01 -21.49 29.58 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.871 0 CA-C-N 115.392 -0.822 . . . . 0.69 110.679 178.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.497 ' HE2' ' HA ' ' A' ' 61' ' ' ASP . 57.6 mttm -63.14 -9.97 13.01 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 115.503 -0.772 . . . . 2.44 112.916 -176.313 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -94.77 -4.09 47.92 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 120.571 0.224 . . . . 1.94 111.474 -179.065 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.843 HD13 ' HA ' ' A' ' 72' ' ' ALA . 72.8 mt -84.54 -69.96 0.61 Allowed 'General case' 0 C--O 1.217 -0.64 0 N-CA-C 112.07 0.396 . . . . 1.67 112.07 -175.554 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.589 ' H ' ' H3 ' ' A' ' 101' ' ' SHW 0.412 0.0 OUTLIER 62.41 -29.65 0.08 Allowed 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 117.0 2.222 . . . . 3.18 117.0 177.279 . . . . . . . . 4 4 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 65.9 p -110.2 166.17 11.17 Favored 'General case' 0 CA--C 1.485 -1.541 0 O-C-N 121.514 -0.741 . . . . 0.51 109.823 174.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.714 HG22 ' O ' ' A' ' 30' ' ' LYS . 4.0 m -68.2 -39.59 81.43 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.015 0 CA-C-N 114.708 -1.133 . . . . 0.35 109.799 173.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -62.41 -47.97 85.63 Favored Glycine 0 N--CA 1.438 -1.174 0 CA-C-N 116.031 -0.531 . . . . 0.3 112.101 177.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -65.7 -39.63 91.43 Favored 'General case' 0 CA--C 1.5 -0.947 0 CA-C-N 116.714 0.257 . . . . 1.79 111.359 179.037 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.843 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -56.72 -58.65 7.18 Favored 'General case' 0 CA--C 1.516 -0.336 0 N-CA-C 109.085 -0.709 . . . . 0.29 109.085 176.067 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.554 HG23 ' HB ' ' A' ' 7' ' ' ILE . 87.3 m -48.23 -51.5 25.24 Favored 'General case' 0 C--O 1.189 -2.103 0 C-N-CA 123.953 0.901 . . . . 0.31 111.881 173.21 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.427 ' HE2' ' HB3' ' A' ' 74' ' ' LYS . 3.9 tmmm? -54.24 -35.82 62.88 Favored 'General case' 0 C--N 1.322 -0.596 0 C-N-CA 123.862 0.865 . . . . 2.93 111.788 179.302 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.423 ' HB2' HD21 ' A' ' 66' ' ' LEU . 37.3 t80 -71.53 -54.02 11.9 Favored 'General case' 0 C--O 1.199 -1.579 0 N-CA-C 107.789 -1.189 . . . . 0.53 107.789 178.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.503 HG12 HD11 ' A' ' 58' ' ' ILE . 71.0 mt -57.96 -48.94 82.84 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.282 0 C-N-CA 124.566 1.146 . . . . 0.27 110.823 -179.145 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 55.0 tp -51.0 -40.11 57.31 Favored 'General case' 0 C--N 1.307 -1.277 0 C-N-CA 124.388 1.075 . . . . 1.15 111.386 178.232 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -88.23 -41.78 12.71 Favored 'General case' 0 C--N 1.303 -1.438 0 CA-C-O 121.697 0.761 . . . . 0.67 111.508 -177.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 62.7 m-70 -84.36 5.68 26.06 Favored 'General case' 0 C--N 1.296 -1.745 0 CA-C-N 114.526 -1.215 . . . . 1.53 113.75 -173.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.516 ' HG3' ' HA ' ' A' ' 1' ' ' ALA . 34.2 mm-40 -37.32 126.5 1.03 Allowed 'General case' 0 N--CA 1.491 1.596 0 C-N-CA 123.929 0.892 . . . . 0.89 111.084 174.317 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.299 -1.607 0 N-CA-C 108.048 -1.093 . . . . 2.36 108.048 179.482 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' SHW . . . . . 0.589 ' H3 ' ' H ' ' A' ' 67' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.442 ' HA ' ' HG3' ' A' ' 80' ' ' GLN . . . . . . . . 0 CA--C 1.506 -0.732 0 N-CA-C 108.74 -0.837 . . . . 2.05 108.74 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -126.84 154.4 44.39 Favored 'General case' 0 C--N 1.305 -1.347 0 N-CA-C 107.733 -1.21 . . . . 1.02 107.733 177.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.606 ' O ' HG13 ' A' ' 7' ' ' ILE . 0.3 OUTLIER -67.55 125.87 27.52 Favored 'General case' 0 C--N 1.301 -1.543 0 N-CA-C 107.527 -1.286 . . . . 1.05 107.527 -178.574 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.49 ' O ' HG23 ' A' ' 8' ' ' VAL . 20.7 mt-30 -54.7 -40.19 68.94 Favored 'General case' 0 C--O 1.214 -0.78 0 N-CA-C 112.962 0.727 . . . . 1.25 112.962 -169.807 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -82.15 -23.43 35.6 Favored 'General case' 0 C--N 1.287 -2.115 0 CA-C-O 121.157 0.504 . . . . 2.3 110.8 -175.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.518 ' HB3' ' O ' ' A' ' 3' ' ' THR . 36.0 tt0 -67.2 -35.72 80.21 Favored 'General case' 0 C--N 1.31 -1.137 0 N-CA-C 107.658 -1.238 . . . . 1.92 107.658 172.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.606 HG13 ' O ' ' A' ' 3' ' ' THR . 26.2 mt -68.13 -52.81 34.47 Favored 'Isoleucine or valine' 0 C--O 1.209 -1.077 0 N-CA-C 107.717 -1.216 . . . . 0.29 107.717 174.429 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.772 HG21 HD11 ' A' ' 28' ' ' LEU . 93.1 t -52.51 -41.57 36.83 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.851 0 C-N-CA 123.252 0.621 . . . . 0.32 111.521 177.734 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.36 -36.55 84.08 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.955 0.407 . . . . 0.32 110.224 177.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.84 -41.93 87.4 Favored Glycine 0 C--O 1.206 -1.595 0 N-CA-C 110.404 -1.078 . . . . 0.31 110.404 176.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.523 ' O ' HG23 ' A' ' 15' ' ' VAL . 85.1 mt -62.81 -49.07 76.41 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-O 120.59 0.233 . . . . 0.29 110.433 176.625 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -52.96 -44.75 67.36 Favored 'General case' 0 C--N 1.32 -0.702 0 C-N-CA 124.189 0.996 . . . . 0.24 111.874 -178.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.495 ' O ' ' HG2' ' A' ' 17' ' ' GLU . 16.8 pt-20 -66.57 -38.67 87.56 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 120.393 -0.523 . . . . 1.46 112.16 -179.449 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 90.3 mt -63.91 -47.32 91.14 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.959 0 C-N-CA 123.411 0.684 . . . . 0.41 109.415 176.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.523 HG23 ' O ' ' A' ' 11' ' ' LEU . 83.9 t -56.88 -36.33 49.62 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.793 0 CA-C-N 115.354 -0.839 . . . . 0.29 110.89 179.401 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -71.54 -29.91 65.29 Favored 'General case' 0 C--N 1.299 -1.617 0 CA-C-O 120.929 0.395 . . . . 0.64 111.37 -178.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.495 ' HG2' ' O ' ' A' ' 13' ' ' GLU . 68.8 mm-40 -76.93 -46.73 23.2 Favored 'General case' 0 N--CA 1.434 -1.257 0 CA-C-N 116.162 -0.472 . . . . 2.0 111.218 179.694 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.566 HG21 ' HB2' ' A' ' 45' ' ' GLU . 72.9 mt -90.84 -53.69 8.57 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.237 0 CA-C-N 115.631 -0.713 . . . . 0.28 112.334 -173.134 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.572 ' HB2' HG13 ' A' ' 38' ' ' VAL . . . -79.27 -39.88 31.91 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-O 121.261 0.553 . . . . 0.34 109.717 -178.009 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 92.97 20.43 33.5 Favored Glycine 0 N--CA 1.445 -0.701 0 CA-C-N 115.337 -0.847 . . . . 0.46 111.056 -178.247 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.523 ' HB ' HG12 ' A' ' 15' ' ' VAL . 49.0 mm -96.84 136.13 21.8 Favored Pre-proline 0 C--N 1.31 -1.114 0 N-CA-C 110.134 -0.321 . . . . 0.42 110.134 -176.308 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.489 ' HD2' ' HA ' ' A' ' 21' ' ' ILE . 2.8 Cg_exo -35.68 126.12 0.31 Allowed 'Trans proline' 0 C--N 1.357 1.009 0 C-N-CA 125.25 3.967 . . . . 0.41 114.214 174.022 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 92.4 t -63.02 -19.76 24.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 114.635 -1.166 . . . . 0.69 109.191 178.252 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -96.74 -8.1 32.17 Favored 'General case' 0 N--CA 1.418 -2.027 0 CA-C-N 114.581 -1.191 . . . . 2.34 111.934 -176.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.442 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 9.1 t70 -92.16 -18.12 23.94 Favored 'General case' 0 C--N 1.314 -0.949 0 N-CA-C 108.002 -1.11 . . . . 0.69 108.002 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.582 HG13 HG11 ' A' ' 69' ' ' VAL . 56.1 t -77.48 87.25 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.436 -1.174 0 CA-C-N 114.169 -1.378 . . . . 0.4 109.311 177.208 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -96.24 -136.98 0.24 Allowed 'General case' 0 C--N 1.298 -1.65 0 CA-C-N 113.578 -1.646 . . . . 1.67 107.209 177.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.772 HD11 HG21 ' A' ' 8' ' ' VAL . 7.7 mp -122.41 -13.66 8.0 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 119.144 0.883 . . . . 1.08 113.145 174.281 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -85.88 -12.61 50.24 Favored 'General case' 0 C--N 1.304 -1.377 0 CA-C-O 122.163 0.982 . . . . 2.11 109.678 -178.145 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.681 ' O ' HG22 ' A' ' 69' ' ' VAL . 61.7 mmtt -78.9 125.86 29.94 Favored 'General case' 0 C--N 1.3 -1.57 0 CA-C-N 113.967 -1.47 . . . . 1.02 112.396 -171.049 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.52 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 4.2 m -91.54 109.56 20.86 Favored 'General case' 0 N--CA 1.397 -3.125 0 N-CA-C 106.236 -1.764 . . . . 1.16 106.236 173.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.658 ' HA ' HD12 ' A' ' 36' ' ' LEU . 54.9 m-85 -28.06 -84.16 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 124.768 1.227 . . . . 0.36 114.191 178.692 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.704 HG23 ' HB ' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -81.86 67.14 7.73 Favored 'General case' 0 C--N 1.291 -1.971 0 N-CA-C 114.126 1.158 . . . . 0.47 114.126 177.132 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.487 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 22.1 t70 -175.03 -57.0 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.381 -0.827 . . . . 0.73 109.47 175.459 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -86.05 -41.15 15.05 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.215 -0.902 . . . . 1.46 110.887 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.658 HD12 ' HA ' ' A' ' 32' ' ' PHE . 89.6 mt -84.95 -50.05 7.82 Favored 'General case' 0 C--N 1.315 -0.916 0 N-CA-C 109.377 -0.601 . . . . 0.58 109.377 179.439 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 23.2 t70 82.08 90.08 0.04 OUTLIER 'General case' 0 CA--C 1.502 -0.866 0 C-N-CA 125.281 1.432 . . . . 1.14 111.318 -178.62 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.704 ' HB ' HG23 ' A' ' 33' ' ' THR . 63.8 t -104.39 -95.39 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.298 -1.639 0 CA-C-N 114.109 -1.405 . . . . 1.79 109.491 -176.086 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.415 ' O ' ' HB2' ' A' ' 43' ' ' MET . 11.8 t70 173.32 -177.77 0.07 Allowed 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 103.332 -2.84 . . . . 0.79 103.332 -178.129 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 41.3 t -93.23 -42.53 9.3 Favored 'General case' 0 C--N 1.278 -2.508 0 N-CA-C 108.365 -0.976 . . . . 1.23 108.365 -179.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 57.2 mt -78.44 -33.62 48.36 Favored 'General case' 0 N--CA 1.431 -1.386 0 CA-C-N 114.841 -1.072 . . . . 1.02 109.734 -174.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.503 ' HB2' HG12 ' A' ' 38' ' ' VAL . 15.7 m -72.69 -25.95 61.43 Favored 'General case' 0 N--CA 1.431 -1.401 0 CA-C-N 115.387 -0.824 . . . . 1.02 109.051 177.451 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.645 ' HE3' ' HB3' ' A' ' 32' ' ' PHE . 28.9 tpp -64.41 -48.31 75.87 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 115.746 -0.661 . . . . 0.55 110.596 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.423 ' O ' HG23 ' A' ' 48' ' ' VAL . 22.2 t -69.74 -23.7 26.14 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.182 0 CA-C-N 115.401 -0.818 . . . . 0.56 110.853 -176.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.566 ' HB2' HG21 ' A' ' 18' ' ' ILE . 22.0 mm-40 -69.13 -39.77 78.66 Favored 'General case' 0 N--CA 1.441 -0.918 0 N-CA-C 109.246 -0.65 . . . . 2.08 109.246 175.342 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 42' ' ' SER . 87.7 t -60.64 -44.85 97.81 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.572 0 N-CA-C 108.789 -0.819 . . . . 0.52 108.789 176.789 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.608 HG22 HG21 ' A' ' 63' ' ' VAL . 46.8 t -54.02 -63.53 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.62 0 O-C-N 123.932 0.77 . . . . 0.38 109.486 176.81 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.495 ' HA ' ' OE1' ' A' ' 51' ' ' GLU . 67.7 t -49.12 -51.68 12.49 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.213 0 O-C-N 123.621 0.576 . . . . 0.58 111.991 176.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.79 -33.71 76.29 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 112.332 0.493 . . . . 0.42 112.332 -178.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -63.41 -36.38 83.55 Favored 'General case' 0 CA--C 1.511 -0.55 0 CA-C-O 120.65 0.262 . . . . 0.38 110.701 178.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.495 ' OE1' ' HA ' ' A' ' 48' ' ' VAL . 40.7 mt-10 -60.31 -47.29 86.66 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 109.421 -0.585 . . . . 1.36 109.421 177.396 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -64.98 -38.38 90.78 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 114.847 -1.069 . . . . 2.09 110.523 179.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 39.2 tpt85 -74.62 -35.66 62.92 Favored 'General case' 0 C--N 1.312 -1.065 0 CA-C-N 115.391 -0.822 . . . . 2.75 111.662 -174.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.539 ' CD2' HD13 ' A' ' 76' ' ' ILE . 32.6 m-85 -107.29 2.41 24.56 Favored 'General case' 0 C--N 1.298 -1.663 0 N-CA-C 112.937 0.717 . . . . 0.73 112.937 -175.446 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 27.0 t70 66.11 22.24 11.12 Favored 'General case' 0 N--CA 1.482 1.157 0 CA-C-O 122.12 0.962 . . . . 2.02 110.28 178.16 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.505 HG22 ' HB2' ' A' ' 54' ' ' PHE . 31.4 m -108.73 -171.67 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 CA-C-N 115.615 -0.721 . . . . 1.61 111.381 -177.138 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.4 ' HD2' ' HA ' ' A' ' 57' ' ' LYS . 27.7 mmmt -132.83 125.95 31.19 Favored 'General case' 0 N--CA 1.437 -1.12 0 N-CA-C 108.239 -1.023 . . . . 1.67 108.239 174.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.554 HD11 HG12 ' A' ' 76' ' ' ILE . 42.1 mt -137.38 99.74 9.6 Favored Pre-proline 0 C--N 1.303 -1.413 0 N-CA-C 107.144 -1.428 . . . . 0.49 107.144 -177.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -72.67 138.11 28.64 Favored 'Trans proline' 0 C--N 1.318 -1.065 0 C-N-CA 121.977 1.785 . . . . 0.62 112.349 -178.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.461 ' HA ' ' CG1' ' A' ' 63' ' ' VAL . 5.6 p-10 -55.55 -18.59 7.73 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.31 1.044 . . . . 2.0 111.934 176.605 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -73.59 -46.24 48.36 Favored 'General case' 0 C--N 1.308 -1.21 0 C-N-CA 123.119 0.568 . . . . 2.09 111.433 176.229 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -86.7 -30.89 21.34 Favored 'General case' 0 CA--C 1.504 -0.801 0 CA-C-O 121.004 0.431 . . . . 1.58 110.995 -174.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.608 HG21 HG22 ' A' ' 47' ' ' VAL . 4.3 p -55.74 -22.18 12.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.025 -0.989 . . . . 0.69 111.862 -177.438 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.63 ' HA ' ' S1 ' ' A' ' 101' ' ' SHW . 66.7 mttm -60.9 -17.95 53.67 Favored 'General case' 0 N--CA 1.44 -0.971 0 CA-C-N 115.247 -0.888 . . . . 2.44 112.586 -178.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -92.08 -6.74 50.38 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.658 -0.246 . . . . 1.94 111.213 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.85 HD13 ' HA ' ' A' ' 72' ' ' ALA . 67.3 mt -77.38 -70.77 0.45 Allowed 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.715 -0.394 . . . . 1.67 110.547 -176.646 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.75 ' H ' ' H3 ' ' A' ' 101' ' ' SHW . 48.2 mtmt 74.99 -47.44 0.62 Allowed 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 124.617 1.167 . . . . 3.18 113.42 175.519 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.52 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 58.3 p -104.68 161.12 14.41 Favored 'General case' 0 N--CA 1.417 -2.108 0 CA-C-O 121.621 0.724 . . . . 0.51 111.971 -177.299 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.693 HG23 ' HA ' ' A' ' 28' ' ' LEU . 4.6 m -66.35 -31.44 53.64 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.989 0 CA-C-N 114.051 -1.431 . . . . 0.35 110.469 175.819 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -75.49 -40.73 31.92 Favored Glycine 0 N--CA 1.435 -1.383 0 CA-C-N 115.678 -0.692 . . . . 0.3 111.651 178.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.46 ' OD1' ' HA ' ' A' ' 66' ' ' LEU . 10.2 t70 -73.54 -34.3 65.13 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.666 -0.494 . . . . 1.79 109.666 -178.366 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.85 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -56.77 -57.91 10.41 Favored 'General case' 0 CA--C 1.515 -0.378 0 N-CA-C 109.234 -0.654 . . . . 0.29 109.234 175.108 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.543 HG23 ' HB ' ' A' ' 7' ' ' ILE . 97.7 m -47.95 -48.46 32.09 Favored 'General case' 0 C--O 1.2 -1.536 0 C-N-CA 123.794 0.838 . . . . 0.31 112.17 172.73 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 28.5 ttpp -56.25 -34.86 66.78 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 123.29 0.636 . . . . 2.93 111.949 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.437 ' O ' ' HB2' ' A' ' 79' ' ' HIS . 75.6 t80 -73.7 -41.34 62.73 Favored 'General case' 0 C--O 1.201 -1.486 0 N-CA-C 108.843 -0.799 . . . . 0.53 108.843 178.405 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.554 HG12 HD11 ' A' ' 58' ' ' ILE . 68.9 mt -68.41 -44.75 83.16 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.339 0 CA-C-N 115.837 -0.62 . . . . 0.27 109.483 -178.441 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.481 HD22 ' HG2' ' A' ' 4' ' ' GLN . 64.8 tp -54.01 -33.94 58.55 Favored 'General case' 0 C--N 1.316 -0.853 0 C-N-CA 124.408 1.083 . . . . 1.15 110.46 176.491 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -88.09 -40.73 13.56 Favored 'General case' 0 C--N 1.305 -1.369 0 CA-C-N 115.402 -0.817 . . . . 0.67 111.089 -178.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.437 ' HB2' ' O ' ' A' ' 75' ' ' TYR . 0.8 OUTLIER -87.06 5.2 38.78 Favored 'General case' 0 C--N 1.309 -1.161 0 N-CA-C 113.294 0.85 . . . . 1.53 113.294 -172.897 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.442 ' HG3' ' HA ' ' A' ' 1' ' ' ALA . 83.0 mm-40 -40.07 128.92 2.23 Favored 'General case' 0 C--O 1.244 0.799 0 O-C-N 124.093 0.871 . . . . 0.89 111.454 174.506 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.362 0 O-C-N 123.939 0.774 . . . . 2.36 111.861 -175.841 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' SHW . . . . . 0.75 ' H3 ' ' H ' ' A' ' 67' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.417 ' HA ' ' HG3' ' A' ' 80' ' ' GLN . . . . . . . . 0 CA--C 1.508 -0.673 0 N-CA-C 108.216 -1.031 . . . . 2.05 108.216 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -125.28 -172.44 2.59 Favored 'General case' 0 N--CA 1.435 -1.196 0 N-CA-C 108.058 -1.089 . . . . 1.02 108.058 -175.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.435 ' O ' HG13 ' A' ' 7' ' ' ILE . 62.5 m -101.32 119.68 39.13 Favored 'General case' 0 N--CA 1.403 -2.8 0 N-CA-C 107.309 -1.367 . . . . 1.05 107.309 175.731 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -44.64 -37.27 3.53 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.87 1.268 . . . . 1.25 112.892 -177.487 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -63.07 -35.2 79.45 Favored 'General case' 0 C--N 1.31 -1.141 0 C-N-CA 123.931 0.892 . . . . 2.3 110.824 -177.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -80.27 -30.45 38.36 Favored 'General case' 0 N--CA 1.437 -1.123 0 CA-C-N 115.365 -0.834 . . . . 1.92 109.853 -179.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.67 ' HB ' HG23 ' A' ' 73' ' ' THR . 25.5 mt -69.17 -52.9 28.9 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.211 0 N-CA-C 107.996 -1.113 . . . . 0.29 107.996 178.711 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.849 HG21 HD11 ' A' ' 28' ' ' LEU . 93.3 t -58.08 -33.93 47.86 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-N 116.151 -0.477 . . . . 0.32 110.613 175.362 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.514 ' O ' ' HG2' ' A' ' 13' ' ' GLU . . . -65.81 -41.51 91.79 Favored 'General case' 0 N--CA 1.445 -0.685 0 N-CA-C 109.848 -0.427 . . . . 0.32 109.848 177.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.14 -43.7 89.23 Favored Glycine 0 CA--C 1.495 -1.194 0 N-CA-C 110.773 -0.931 . . . . 0.31 110.773 178.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.451 ' HA ' HD12 ' A' ' 14' ' ' ILE . 86.8 mt -59.36 -42.17 90.97 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.592 -0.304 . . . . 0.29 110.651 176.808 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -58.41 -39.07 78.75 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 123.141 0.577 . . . . 0.24 110.874 177.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.514 ' HG2' ' O ' ' A' ' 9' ' ' ALA . 24.8 mm-40 -61.83 -52.98 61.95 Favored 'General case' 0 CA--C 1.503 -0.831 0 CA-C-O 121.645 0.736 . . . . 1.46 109.634 176.607 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.451 HD12 ' HA ' ' A' ' 11' ' ' LEU . 93.4 mt -54.78 -52.16 45.0 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.45 0 CA-C-N 113.702 -1.59 . . . . 0.41 110.332 -179.305 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.532 HG12 ' HB ' ' A' ' 21' ' ' ILE . 91.7 t -62.58 -37.43 78.9 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.981 0 CA-C-N 115.62 -0.718 . . . . 0.29 111.45 179.605 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.468 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 4.0 t-20 -64.07 -39.36 93.9 Favored 'General case' 0 C--N 1.311 -1.07 0 CA-C-O 121.277 0.56 . . . . 0.64 109.601 179.33 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -71.87 -63.95 1.03 Allowed 'General case' 0 C--N 1.303 -1.434 0 CA-C-N 114.771 -1.104 . . . . 2.0 111.474 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.465 HG22 ' HB3' ' A' ' 42' ' ' SER . 76.0 mt -77.45 -52.84 15.66 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.2 0 CA-C-N 115.845 -0.616 . . . . 0.28 112.353 -171.147 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.517 ' HB2' HG13 ' A' ' 38' ' ' VAL . . . -77.6 -29.11 51.76 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-O 120.726 0.298 . . . . 0.34 110.392 -177.181 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.61 39.76 33.94 Favored Glycine 0 N--CA 1.442 -0.929 0 N-CA-C 110.709 -0.956 . . . . 0.46 110.709 -177.449 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.532 ' HB ' HG12 ' A' ' 15' ' ' VAL . 51.4 mm -117.82 136.66 23.8 Favored Pre-proline 0 C--N 1.314 -0.973 0 N-CA-C 109.202 -0.666 . . . . 0.42 109.202 -178.274 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.477 ' HD2' ' HA ' ' A' ' 21' ' ' ILE . 2.9 Cg_exo -35.74 122.84 0.25 Allowed 'Trans proline' 0 C--N 1.352 0.759 1 C-N-CA 125.504 4.136 . . . . 0.41 114.932 175.335 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 83.3 t -52.77 -42.47 42.25 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.626 0 CA-C-N 114.132 -1.395 . . . . 0.69 108.135 175.242 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -75.69 -22.25 56.84 Favored 'General case' 0 C--N 1.292 -1.928 0 CA-C-N 113.523 -1.671 . . . . 2.34 113.476 -174.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -82.53 -15.8 51.01 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 119.581 -0.848 . . . . 0.69 109.435 -179.269 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.639 HG13 HG11 ' A' ' 69' ' ' VAL . 55.1 t -78.34 79.22 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.308 -1.23 0 C-N-CA 125.081 1.352 . . . . 0.4 110.312 179.773 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.517 ' O ' HG21 ' A' ' 69' ' ' VAL . 11.4 pttm -116.01 169.45 9.24 Favored 'General case' 0 N--CA 1.424 -1.733 0 CA-C-N 113.615 -1.629 . . . . 1.67 106.83 174.284 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.849 HD11 HG21 ' A' ' 8' ' ' VAL . 6.6 mp -74.01 9.85 1.41 Allowed 'General case' 0 N--CA 1.484 1.241 0 N-CA-C 116.281 1.956 . . . . 1.08 116.281 -165.017 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -97.9 -3.26 38.94 Favored 'General case' 0 C--N 1.286 -2.165 0 CA-C-O 122.488 1.137 . . . . 2.11 108.89 178.036 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.443 ' O ' HG22 ' A' ' 69' ' ' VAL . 69.6 mmtt -99.19 122.04 41.85 Favored 'General case' 0 N--CA 1.423 -1.81 0 CA-C-N 114.736 -1.12 . . . . 1.02 113.11 -170.676 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.688 ' HB3' ' HB3' ' A' ' 34' ' ' ASP . 37.1 t -95.29 116.21 28.46 Favored 'General case' 0 N--CA 1.416 -2.161 0 N-CA-C 105.459 -2.052 . . . . 1.16 105.459 169.339 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.71 ' HA ' HD12 ' A' ' 36' ' ' LEU . 87.6 m-85 -35.0 -76.77 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.902 1.281 . . . . 0.36 113.718 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.492 HG23 ' HB ' ' A' ' 38' ' ' VAL . 0.2 OUTLIER -84.76 48.41 1.54 Allowed 'General case' 0 C--N 1.307 -1.266 0 N-CA-C 113.074 0.768 . . . . 0.47 113.074 179.3 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.688 ' HB3' ' HB3' ' A' ' 31' ' ' SER . 6.8 t70 -149.35 -52.97 0.16 Allowed 'General case' 0 C--N 1.307 -1.279 0 CA-C-N 115.645 -0.707 . . . . 0.73 110.732 179.534 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -104.56 -54.89 2.44 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-N 115.832 -0.622 . . . . 1.46 109.707 -176.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.71 HD12 ' HA ' ' A' ' 32' ' ' PHE . 82.9 mt -62.68 -47.55 83.16 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.242 -0.89 . . . . 0.58 109.249 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.5 t70 75.4 86.95 0.09 Allowed 'General case' 0 CA--C 1.502 -0.866 0 C-N-CA 126.152 1.781 . . . . 1.14 109.824 -179.061 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.517 HG13 ' HB2' ' A' ' 19' ' ' ALA . 88.7 t -80.9 -86.87 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.305 -1.363 0 CA-C-N 114.175 -1.375 . . . . 1.79 108.24 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.5 t70 170.18 174.18 0.06 Allowed 'General case' 0 CA--C 1.485 -1.537 0 N-CA-C 103.024 -2.954 . . . . 0.79 103.024 178.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.606 ' HA ' ' H37' ' A' ' 101' ' ' SHW . 3.1 t -90.04 -31.95 16.95 Favored 'General case' 0 C--N 1.248 -3.837 0 N-CA-C 108.173 -1.047 . . . . 1.23 108.173 -173.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 83.8 mt -87.02 -45.39 10.8 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 115.279 -0.873 . . . . 1.02 109.781 -179.132 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.465 ' HB3' HG22 ' A' ' 18' ' ' ILE . 13.5 m -64.24 -22.16 66.85 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-N 115.802 -0.636 . . . . 1.02 110.26 -176.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.533 ' O ' HG23 ' A' ' 47' ' ' VAL . 21.7 tpp -55.12 -43.05 73.75 Favored 'General case' 0 N--CA 1.44 -0.942 0 CA-C-N 115.026 -0.988 . . . . 0.55 110.666 175.767 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.427 ' O ' HG23 ' A' ' 48' ' ' VAL . 47.5 t -70.15 -26.07 28.84 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.19 0 CA-C-N 115.973 -0.558 . . . . 0.56 110.875 -175.425 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -81.96 -23.88 35.84 Favored 'General case' 0 N--CA 1.427 -1.604 0 C-N-CA 119.583 -0.847 . . . . 2.08 110.707 177.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 42' ' ' SER . 87.7 t -65.63 -40.69 88.71 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 N-CA-C 107.714 -1.217 . . . . 0.52 107.714 173.559 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.792 HG22 HG21 ' A' ' 63' ' ' VAL . 21.7 t -58.85 -61.65 1.33 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 N-CA-C 108.134 -1.062 . . . . 0.38 108.134 175.272 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 44' ' ' VAL . 84.2 t -49.38 -48.71 18.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 CA-C-N 115.843 -0.617 . . . . 0.58 112.322 177.115 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.58 -23.81 65.44 Favored 'General case' 0 C--O 1.212 -0.909 0 O-C-N 121.841 -0.537 . . . . 0.42 112.439 -178.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -68.37 -35.42 77.69 Favored 'General case' 0 C--O 1.24 0.561 0 N-CA-C 109.068 -0.716 . . . . 0.38 109.068 176.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.621 ' HG2' ' H ' ' A' ' 58' ' ' ILE . 35.5 mt-10 -65.92 -50.62 63.76 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 107.971 -1.122 . . . . 1.36 107.971 176.046 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -55.1 -37.94 67.5 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 114.096 -1.411 . . . . 2.09 111.051 -179.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 11.1 tpt180 -83.54 -52.57 6.37 Favored 'General case' 0 N--CA 1.429 -1.482 0 CA-C-N 115.582 -0.735 . . . . 2.75 111.557 -173.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.551 ' HB2' HG12 ' A' ' 56' ' ' VAL . 48.9 m-85 -95.53 -4.47 44.72 Favored 'General case' 0 C--N 1.305 -1.367 0 N-CA-C 114.116 1.154 . . . . 0.73 114.116 -170.223 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 36.5 t70 77.59 -7.34 1.85 Allowed 'General case' 0 N--CA 1.5 2.031 0 C-N-CA 124.388 1.075 . . . . 2.02 111.257 177.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.551 HG12 ' HB2' ' A' ' 54' ' ' PHE . 11.7 p -76.52 164.71 3.42 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.162 0 CA-C-N 114.893 -1.048 . . . . 1.61 109.929 -179.641 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.438 ' HD2' ' OE2' ' A' ' 51' ' ' GLU . 24.0 tptm -110.73 105.88 14.9 Favored 'General case' 0 C--N 1.31 -1.136 0 N-CA-C 108.627 -0.879 . . . . 1.67 108.627 178.19 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.707 HD11 HG12 ' A' ' 76' ' ' ILE . 21.9 mt -126.25 96.58 36.3 Favored Pre-proline 0 C--N 1.299 -1.622 0 N-CA-C 106.759 -1.571 . . . . 0.49 106.759 178.346 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.58 ' HD2' ' HB2' ' A' ' 62' ' ' ASP . 81.4 Cg_endo -86.68 165.94 8.95 Favored 'Trans proline' 0 N--CA 1.436 -1.874 0 C-N-CA 121.666 1.577 . . . . 0.62 110.939 177.393 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.483 ' O ' HG12 ' A' ' 63' ' ' VAL . 4.1 p-10 -51.81 -22.42 3.65 Favored 'General case' 0 C--N 1.319 -0.737 0 C-N-CA 124.394 1.078 . . . . 2.0 113.118 178.096 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.476 ' HA ' ' HE3' ' A' ' 64' ' ' LYS . 14.1 t70 -74.17 -50.37 19.57 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-O 121.031 0.443 . . . . 2.09 110.561 176.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.58 ' HB2' ' HD2' ' A' ' 59' ' ' PRO . 3.2 m-20 -72.36 -25.61 61.59 Favored 'General case' 0 CA--C 1.493 -1.214 0 CA-C-N 116.1 -0.5 . . . . 1.58 111.121 -179.748 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.792 HG21 HG22 ' A' ' 47' ' ' VAL . 0.8 OUTLIER -65.48 -21.33 29.02 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.163 0 CA-C-N 115.936 -0.574 . . . . 0.69 111.05 179.04 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.479 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 10.3 mtmp? -66.93 -1.81 4.49 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.111 0.564 . . . . 2.44 112.279 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 35.9 m-80 -107.43 1.41 23.56 Favored 'General case' 0 CA--C 1.498 -1.021 0 N-CA-C 107.222 -1.399 . . . . 1.94 107.222 -178.094 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.57 HD13 ' HA ' ' A' ' 72' ' ' ALA . 38.9 mt -119.47 150.06 40.85 Favored 'General case' 0 N--CA 1.397 -3.124 0 N-CA-C 107.016 -1.476 . . . . 1.67 107.016 -175.499 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.477 ' HA ' ' H3 ' ' A' ' 101' ' ' SHW 0.281 0.0 OUTLIER -153.45 -34.42 0.11 Allowed 'General case' 0 C--N 1.278 -2.505 0 CA-C-N 115.124 -0.944 . . . . 3.18 112.215 176.138 . . . . . . . . 4 4 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.648 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 75.8 p -101.92 170.5 8.1 Favored 'General case' 0 C--N 1.308 -1.234 0 C-N-CA 117.44 -1.704 . . . . 0.51 110.548 173.573 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.809 HG23 ' HA ' ' A' ' 28' ' ' LEU . 6.9 m -62.77 -33.1 58.24 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.477 0 CA-C-N 114.8 -1.091 . . . . 0.35 109.201 172.278 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -67.06 -42.57 92.09 Favored Glycine 0 N--CA 1.434 -1.45 0 CA-C-N 114.882 -1.054 . . . . 0.3 111.517 178.04 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.473 ' OD2' ' HD2' ' A' ' 67' ' ' LYS . 15.0 m-20 -62.62 -47.77 82.31 Favored 'General case' 0 CA--C 1.486 -1.496 0 N-CA-C 109.737 -0.468 . . . . 1.79 109.737 177.776 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.57 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -54.03 -59.76 4.22 Favored 'General case' 0 N--CA 1.445 -0.683 0 O-C-N 124.313 1.008 . . . . 0.29 109.695 -179.756 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.67 HG23 ' HB ' ' A' ' 7' ' ' ILE . 85.8 m -49.1 -46.46 44.78 Favored 'General case' 0 C--O 1.202 -1.445 0 C-N-CA 123.729 0.811 . . . . 0.31 112.536 174.609 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 21.7 tptm -63.32 -31.81 73.06 Favored 'General case' 0 C--N 1.315 -0.923 0 C-N-CA 122.646 0.378 . . . . 2.93 111.071 -177.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.557 ' HB2' HD21 ' A' ' 66' ' ' LEU . 78.9 t80 -76.37 -44.13 37.69 Favored 'General case' 0 C--O 1.203 -1.385 0 N-CA-C 108.213 -1.032 . . . . 0.53 108.213 178.036 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.707 HG12 HD11 ' A' ' 58' ' ' ILE . 74.7 mt -62.3 -49.73 82.8 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.068 0 CA-C-N 115.705 -0.68 . . . . 0.27 109.959 -179.585 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 47.9 tp -49.96 -41.98 47.8 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 124.587 1.155 . . . . 1.15 111.017 179.356 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -89.34 -41.54 12.08 Favored 'General case' 0 C--N 1.296 -1.758 0 CA-C-N 115.392 -0.822 . . . . 0.67 112.78 -176.215 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.4 ' HB2' ' O ' ' A' ' 75' ' ' TYR . 0.2 OUTLIER -85.03 4.99 31.34 Favored 'General case' 0 C--N 1.308 -1.204 0 N-CA-C 113.138 0.792 . . . . 1.53 113.138 -174.867 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.444 ' NE2' HG22 ' A' ' 76' ' ' ILE . 82.9 mm-40 -35.16 131.47 0.42 Allowed 'General case' 0 N--CA 1.492 1.65 0 C-N-CA 124.193 0.997 . . . . 0.89 111.532 175.567 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.165 0 CA-C-O 119.026 -0.511 . . . . 2.36 110.738 -176.494 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' SHW . . . . . 0.606 ' H37' ' HA ' ' A' ' 40' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.508 ' HA ' ' HG3' ' A' ' 80' ' ' GLN . . . . . . . . 0 N--CA 1.451 -0.424 0 N-CA-C 109.737 -0.468 . . . . 2.05 109.737 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -120.07 -172.72 2.4 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 107.072 -1.455 . . . . 1.02 107.072 178.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.573 ' O ' HG13 ' A' ' 7' ' ' ILE . 4.5 m -90.65 123.42 34.26 Favored 'General case' 0 N--CA 1.415 -2.218 0 N-CA-C 107.757 -1.201 . . . . 1.05 107.757 -178.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.503 ' HA ' HD12 ' A' ' 7' ' ' ILE . 23.3 mt-30 -52.52 -36.39 55.31 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 124.279 1.031 . . . . 1.25 111.513 -174.324 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -62.75 -41.02 99.0 Favored 'General case' 0 C--N 1.302 -1.462 0 CA-C-N 114.919 -1.037 . . . . 2.3 110.221 179.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -75.38 -28.47 59.51 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.668 -0.696 . . . . 1.92 110.225 -179.261 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.573 HG13 ' O ' ' A' ' 3' ' ' THR . 31.5 mt -65.7 -56.47 14.91 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.098 0 N-CA-C 107.859 -1.163 . . . . 0.29 107.859 176.027 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.472 ' HA ' HD12 ' A' ' 11' ' ' LEU . 84.5 t -58.54 -33.26 47.85 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.945 0 CA-C-N 115.882 -0.599 . . . . 0.32 110.887 175.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.443 ' O ' ' HG2' ' A' ' 13' ' ' GLU . . . -66.53 -41.9 88.04 Favored 'General case' 0 C--O 1.221 -0.417 0 N-CA-C 110.122 -0.325 . . . . 0.32 110.122 177.356 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -62.41 -41.09 99.78 Favored Glycine 0 CA--C 1.507 -0.465 0 N-CA-C 110.919 -0.872 . . . . 0.31 110.919 176.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.472 HD12 ' HA ' ' A' ' 8' ' ' VAL . 88.3 mt -61.02 -43.31 99.08 Favored 'General case' 0 N--CA 1.434 -1.257 0 C-N-CA 122.894 0.478 . . . . 0.29 109.86 175.408 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.18 -41.71 89.1 Favored 'General case' 0 C--N 1.323 -0.545 0 C-N-CA 123.55 0.74 . . . . 0.24 111.526 178.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.443 ' HG2' ' O ' ' A' ' 9' ' ' ALA . 10.1 mm-40 -54.18 -52.41 61.27 Favored 'General case' 0 N--CA 1.483 1.194 0 CA-C-O 121.925 0.869 . . . . 1.46 109.777 176.213 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.69 -52.27 62.82 Favored 'Isoleucine or valine' 0 N--CA 1.418 -2.053 0 CA-C-N 113.154 -1.839 . . . . 0.41 110.605 -177.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.516 HG11 HD13 ' A' ' 36' ' ' LEU . 92.7 t -58.74 -41.95 83.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.332 -0.394 . . . . 0.29 110.928 178.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.526 ' HA ' ' O ' ' A' ' 21' ' ' ILE . 5.4 t-20 -60.39 -43.25 96.84 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-O 121.023 0.44 . . . . 0.64 110.226 -179.621 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -70.45 -58.49 3.66 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-N 115.582 -0.736 . . . . 2.0 111.148 -179.372 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.619 HG21 ' HB2' ' A' ' 45' ' ' GLU . 80.2 mt -78.36 -53.29 14.24 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.915 0 N-CA-C 113.156 0.798 . . . . 0.28 113.156 -172.055 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.644 ' HB2' HG13 ' A' ' 38' ' ' VAL . . . -77.03 -31.72 56.48 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.103 0.478 . . . . 0.34 109.956 -177.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.7 11.62 63.61 Favored Glycine 0 C--O 1.227 -0.296 0 CA-C-N 115.438 -0.801 . . . . 0.46 111.609 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.526 ' O ' ' HA ' ' A' ' 16' ' ' ASN . 49.9 mm -95.19 131.38 30.1 Favored Pre-proline 0 C--N 1.309 -1.193 0 CA-C-O 119.525 -0.274 . . . . 0.42 110.432 -176.434 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.498 ' HD2' ' HA ' ' A' ' 21' ' ' ILE . 14.1 Cg_exo -32.34 127.13 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.157 1 C-N-CA 125.605 4.204 . . . . 0.41 114.801 174.088 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 93.4 t -51.21 -36.44 16.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 CA-C-N 114.594 -1.184 . . . . 0.69 108.935 176.177 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -92.4 0.11 57.41 Favored 'General case' 0 N--CA 1.417 -2.081 0 N-CA-C 114.22 1.193 . . . . 2.34 114.22 -174.306 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.688 ' O ' ' HE3' ' A' ' 30' ' ' LYS . 18.8 t70 -93.32 -15.05 26.19 Favored 'General case' 0 C--O 1.208 -1.125 0 N-CA-C 106.693 -1.595 . . . . 0.69 106.693 172.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.489 ' HA ' HD21 ' A' ' 36' ' ' LEU . 81.7 t -78.18 71.83 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.058 0 CA-C-N 114.364 -1.289 . . . . 0.4 108.91 179.695 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.771 ' O ' HG21 ' A' ' 69' ' ' VAL . 80.1 mttt -85.96 179.35 7.01 Favored 'General case' 0 CA--C 1.489 -1.401 0 N-CA-C 107.312 -1.366 . . . . 1.67 107.312 178.087 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.469 ' O ' HD23 ' A' ' 28' ' ' LEU . 5.9 tt -86.16 -5.32 59.22 Favored 'General case' 0 C--N 1.291 -1.953 0 CA-C-O 121.605 0.717 . . . . 1.08 112.841 -170.494 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -96.65 -4.52 40.83 Favored 'General case' 0 C--N 1.274 -2.71 0 CA-C-O 121.216 0.531 . . . . 2.11 110.031 179.122 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.688 ' HE3' ' O ' ' A' ' 25' ' ' ASP . 63.1 mmtt -75.03 122.61 23.79 Favored 'General case' 0 C--N 1.309 -1.17 0 N-CA-C 113.237 0.829 . . . . 1.02 113.237 -172.765 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.534 ' HA ' HG22 ' A' ' 68' ' ' THR . 1.0 OUTLIER -90.74 38.06 0.94 Allowed 'General case' 0 CA--C 1.554 1.103 0 CA-C-N 116.315 -0.402 . . . . 1.16 111.165 -179.767 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.751 ' HA ' HD12 ' A' ' 36' ' ' LEU . 62.6 m-85 50.73 -100.65 0.09 Allowed 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 114.214 1.19 . . . . 0.36 114.214 178.766 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.506 HG23 ' HB ' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -69.09 33.46 0.03 OUTLIER 'General case' 0 C--N 1.318 -0.801 0 C-N-CA 125.804 1.642 . . . . 0.47 115.125 -178.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -143.32 -71.88 0.3 Allowed 'General case' 0 C--N 1.294 -1.83 0 CA-C-N 116.331 -0.395 . . . . 0.73 110.677 178.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -78.49 -40.48 35.26 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.942 0.401 . . . . 1.46 111.265 -176.124 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.751 HD12 ' HA ' ' A' ' 32' ' ' PHE . 95.3 mt -74.51 -52.7 11.17 Favored 'General case' 0 CA--C 1.507 -0.699 0 N-CA-C 108.349 -0.982 . . . . 0.58 108.349 176.022 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.2 t70 81.53 92.89 0.04 OUTLIER 'General case' 0 CA--C 1.499 -0.994 0 C-N-CA 126.556 1.942 . . . . 1.14 109.83 -178.076 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.644 HG13 ' HB2' ' A' ' 19' ' ' ALA . 89.2 t -92.91 -90.74 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.295 -1.8 0 CA-C-N 114.084 -1.416 . . . . 1.79 107.847 -177.057 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 14.7 t70 172.12 171.43 0.1 Allowed 'General case' 0 CA--C 1.481 -1.69 0 N-CA-C 103.413 -2.81 . . . . 0.79 103.413 177.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.494 ' HA ' ' H37' ' A' ' 101' ' ' SHW . 3.7 t -88.98 -31.82 17.94 Favored 'General case' 0 C--N 1.258 -3.371 0 N-CA-C 108.457 -0.942 . . . . 1.23 108.457 -173.309 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 91.8 mt -86.35 -33.33 20.59 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-O 121.451 0.643 . . . . 1.02 110.72 -178.261 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.467 ' HB3' HG22 ' A' ' 18' ' ' ILE . 7.4 m -74.46 -14.11 60.79 Favored 'General case' 0 N--CA 1.434 -1.236 0 CA-C-N 115.412 -0.813 . . . . 1.02 110.68 -176.391 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.529 ' HE3' ' HB3' ' A' ' 32' ' ' PHE . 28.9 tpp -64.48 -38.81 92.31 Favored 'General case' 0 N--CA 1.439 -0.976 0 CA-C-N 115.714 -0.675 . . . . 0.55 111.102 179.749 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.45 ' O ' HG23 ' A' ' 48' ' ' VAL . 38.7 t -72.5 -23.5 21.13 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.681 0 CA-C-N 116.064 -0.516 . . . . 0.56 110.138 -178.212 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.619 ' HB2' HG21 ' A' ' 18' ' ' ILE . 8.6 mm-40 -73.11 -35.52 66.57 Favored 'General case' 0 N--CA 1.438 -1.068 0 N-CA-C 108.05 -1.093 . . . . 2.08 108.05 179.61 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 66.6 t -60.2 -46.52 94.53 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.39 0 N-CA-C 108.283 -1.006 . . . . 0.52 108.283 175.16 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.521 HG13 HG21 ' A' ' 63' ' ' VAL . 92.4 t -53.12 -63.57 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 O-C-N 123.99 0.806 . . . . 0.38 109.601 175.638 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 44' ' ' VAL . 86.6 t -46.76 -52.13 4.17 Favored 'Isoleucine or valine' 0 C--O 1.251 1.155 0 O-C-N 124.063 0.852 . . . . 0.58 111.596 179.199 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.88 -39.45 94.23 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.271 -0.422 . . . . 0.42 111.939 -179.32 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.4 -43.4 98.91 Favored 'General case' 0 C--O 1.242 0.672 0 C-N-CA 122.334 0.254 . . . . 0.38 111.325 -179.058 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.641 ' HG2' ' H ' ' A' ' 58' ' ' ILE . 40.2 mt-10 -56.6 -36.2 69.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.772 0.796 . . . . 1.36 110.593 179.189 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -83.24 -48.75 10.14 Favored 'General case' 0 C--N 1.306 -1.302 0 CA-C-N 114.943 -1.026 . . . . 2.09 111.564 -179.264 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 -64.41 -38.0 89.48 Favored 'General case' 0 CA--C 1.504 -0.794 0 C-N-CA 123.316 0.647 . . . . 2.75 110.793 -171.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.522 ' CD2' HG21 ' A' ' 76' ' ' ILE . 51.4 m-85 -100.32 -7.41 24.54 Favored 'General case' 0 C--N 1.297 -1.712 0 CA-C-N 115.22 -0.9 . . . . 0.73 111.109 -176.028 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.451 ' O ' ' HA ' ' A' ' 81' ' ' ALA . 11.8 m-20 63.84 14.67 8.5 Favored 'General case' 0 N--CA 1.494 1.77 0 C-N-CA 124.45 1.1 . . . . 2.02 112.787 -178.54 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.579 ' O ' ' HA ' ' A' ' 51' ' ' GLU . 5.7 p -108.78 123.26 64.45 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.564 0 N-CA-C 108.963 -0.754 . . . . 1.61 108.963 179.757 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -70.89 103.87 2.76 Favored 'General case' 0 C--N 1.299 -1.589 0 CA-C-N 115.425 -0.807 . . . . 1.67 109.995 -178.067 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.713 HG22 HG23 ' A' ' 63' ' ' VAL . 11.5 mt -125.22 86.75 56.51 Favored Pre-proline 0 C--N 1.299 -1.593 0 N-CA-C 107.061 -1.459 . . . . 0.49 107.061 176.711 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo -71.52 162.83 41.0 Favored 'Trans proline' 0 N--CA 1.442 -1.502 0 C-N-CA 121.107 1.205 . . . . 0.62 110.15 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.548 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 5.4 p-10 -48.42 -31.47 6.29 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.113 0.565 . . . . 2.0 111.574 179.171 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.461 ' HA ' ' HE3' ' A' ' 64' ' ' LYS . 21.1 t70 -60.2 -51.4 69.73 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 123.337 0.655 . . . . 2.09 112.019 177.659 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -73.71 -30.83 63.08 Favored 'General case' 0 N--CA 1.493 1.687 0 CA-C-O 121.555 0.693 . . . . 1.58 110.194 179.421 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.713 HG23 HG22 ' A' ' 58' ' ' ILE . 5.4 t -59.44 -22.62 23.32 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.572 0 CA-C-N 114.437 -1.256 . . . . 0.69 111.545 177.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.548 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 10.2 mtmp? -70.91 -1.83 13.14 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 113.284 0.846 . . . . 2.44 113.284 179.161 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -107.72 -11.7 15.37 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 106.694 -1.595 . . . . 1.94 106.694 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.566 ' HA ' ' OD1' ' A' ' 71' ' ' ASP . 52.7 mt -97.36 146.6 25.01 Favored 'General case' 0 N--CA 1.428 -1.527 0 N-CA-C 105.998 -1.853 . . . . 1.67 105.998 179.06 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.444 ' HE2' ' OD2' ' A' ' 71' ' ' ASP . 0.0 OUTLIER -149.26 -9.3 0.33 Allowed 'General case' 0 C--N 1.282 -2.364 0 N-CA-C 113.798 1.036 . . . . 3.18 113.798 -178.2 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.534 HG22 ' HA ' ' A' ' 31' ' ' SER . 26.8 p -137.69 172.93 12.22 Favored 'General case' 0 N--CA 1.423 -1.787 0 N-CA-C 109.402 -0.592 . . . . 0.51 109.402 176.387 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.771 HG21 ' O ' ' A' ' 27' ' ' LYS . 3.3 m -60.64 -48.8 87.11 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.746 0 CA-C-N 115.023 -0.99 . . . . 0.35 109.852 173.585 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.486 ' H ' HG23 ' A' ' 69' ' ' VAL . . . -64.26 -32.82 85.47 Favored Glycine 0 N--CA 1.436 -1.366 0 CA-C-N 115.86 -0.609 . . . . 0.3 112.481 177.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.566 ' OD1' ' HA ' ' A' ' 66' ' ' LEU . 6.4 t70 -69.94 -43.46 71.58 Favored 'General case' 0 CA--C 1.508 -0.661 0 N-CA-C 108.807 -0.812 . . . . 1.79 108.807 -179.521 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.494 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -57.29 -53.0 63.07 Favored 'General case' 0 CA--C 1.514 -0.408 0 N-CA-C 108.62 -0.881 . . . . 0.29 108.62 176.106 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.482 ' HA ' HG21 ' A' ' 7' ' ' ILE . 85.7 m -48.86 -48.08 42.32 Favored 'General case' 0 C--O 1.188 -2.138 0 C-N-CA 123.843 0.857 . . . . 0.31 111.737 172.452 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 28.3 tptp -58.51 -26.87 63.93 Favored 'General case' 0 CA--C 1.549 0.916 0 C-N-CA 123.252 0.621 . . . . 2.93 111.458 -179.254 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.459 ' HB2' HD21 ' A' ' 66' ' ' LEU . 44.9 t80 -83.96 -51.27 7.27 Favored 'General case' 0 C--N 1.314 -0.969 0 N-CA-C 108.552 -0.907 . . . . 0.53 108.552 177.26 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.523 HG12 HD11 ' A' ' 58' ' ' ILE . 82.0 mt -60.5 -51.74 69.56 Favored 'Isoleucine or valine' 0 C--O 1.2 -1.536 0 C-N-CA 124.308 1.043 . . . . 0.27 111.242 -178.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.524 ' HA ' HE21 ' A' ' 80' ' ' GLN . 59.0 tp -50.83 -41.19 57.4 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.31 1.044 . . . . 1.15 111.352 179.329 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -77.87 -46.14 22.21 Favored 'General case' 0 C--N 1.307 -1.264 0 CA-C-N 114.879 -1.055 . . . . 0.67 110.322 -175.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -72.0 -58.93 3.02 Favored 'General case' 0 C--N 1.305 -1.341 0 CA-C-N 114.702 -1.135 . . . . 1.53 113.587 -177.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.524 HE21 ' HA ' ' A' ' 77' ' ' LEU . 84.2 mm-40 39.83 95.74 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 125.485 1.514 . . . . 0.89 114.778 -174.276 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.451 ' HA ' ' O ' ' A' ' 55' ' ' ASP . . . . . . . . 0 C--O 1.249 1.037 0 C-N-CA 124.319 1.047 . . . . 2.36 111.599 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' SHW . . . . . 0.494 ' H37' ' HA ' ' A' ' 40' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.238 0.471 0 N-CA-C 108.008 -1.108 . . . . 2.05 108.008 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -149.82 139.79 21.96 Favored 'General case' 0 CA--C 1.474 -1.967 0 C-N-CA 118.946 -1.102 . . . . 1.02 109.306 -177.123 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.4 m -62.75 133.88 55.44 Favored 'General case' 0 N--CA 1.422 -1.838 0 N-CA-C 105.913 -1.884 . . . . 1.05 105.913 175.599 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.567 ' HA ' HD12 ' A' ' 7' ' ' ILE . 52.7 mt-30 -50.61 -30.9 14.47 Favored 'General case' 0 C--N 1.312 -1.023 0 N-CA-C 114.341 1.237 . . . . 1.25 114.341 -173.321 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -61.76 -39.18 90.72 Favored 'General case' 0 C--N 1.315 -0.904 0 C-N-CA 122.769 0.428 . . . . 2.3 110.347 175.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -74.41 -26.56 60.16 Favored 'General case' 0 C--N 1.315 -0.92 0 C-N-CA 123.839 0.855 . . . . 1.92 108.794 -178.3 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.632 ' HA ' ' HE2' ' A' ' 54' ' ' PHE . 29.9 mt -71.81 -57.91 6.31 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.246 0 N-CA-C 107.678 -1.23 . . . . 0.29 107.678 177.461 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.9 t -54.88 -48.19 74.64 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.622 -0.717 . . . . 0.32 110.616 177.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.15 -32.59 74.36 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.556 -0.293 . . . . 0.32 111.318 179.288 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.52 -44.06 97.18 Favored Glycine 0 CA--C 1.495 -1.184 0 N-CA-C 109.629 -1.389 . . . . 0.31 109.629 175.443 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.461 ' O ' HG23 ' A' ' 15' ' ' VAL . 96.9 mt -60.13 -49.69 76.65 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 109.237 -0.653 . . . . 0.29 109.237 175.598 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -54.36 -45.37 72.75 Favored 'General case' 0 C--N 1.317 -0.819 0 C-N-CA 124.216 1.006 . . . . 0.24 112.721 -178.165 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -69.64 -21.72 63.53 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 112.83 0.678 . . . . 1.46 112.83 -179.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 96.4 mt -86.0 -42.87 16.2 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.284 0 CA-C-O 121.464 0.65 . . . . 0.41 109.305 176.072 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 11' ' ' LEU . 78.4 t -61.41 -43.26 96.4 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.993 0 CA-C-N 115.845 -0.616 . . . . 0.29 110.905 179.23 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -63.72 -29.38 70.6 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-O 121.498 0.666 . . . . 0.64 110.133 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -79.14 -53.49 6.94 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 114.938 -1.028 . . . . 2.0 110.975 -179.05 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.651 HG22 ' HB3' ' A' ' 42' ' ' SER . 92.0 mt -87.37 -53.07 10.72 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.706 0 N-CA-C 112.734 0.642 . . . . 0.28 112.734 -175.034 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.593 ' HB2' HG13 ' A' ' 38' ' ' VAL . . . -75.34 -37.94 60.43 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 120.996 0.427 . . . . 0.34 110.678 -177.069 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.38 3.35 61.46 Favored Glycine 0 N--CA 1.447 -0.617 0 CA-C-N 115.228 -0.896 . . . . 0.46 111.013 -178.329 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.447 ' HA ' ' HD2' ' A' ' 22' ' ' PRO . 48.4 mm -88.09 130.44 46.24 Favored Pre-proline 0 C--N 1.31 -1.111 0 N-CA-C 109.674 -0.491 . . . . 0.42 109.674 -178.133 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.447 ' HD2' ' HA ' ' A' ' 21' ' ' ILE . 7.6 Cg_exo -34.3 132.78 0.16 Allowed 'Trans proline' 0 C--N 1.354 0.862 1 C-N-CA 125.399 4.066 . . . . 0.41 115.276 175.66 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 97.1 t -55.06 -33.18 28.81 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.416 0 CA-C-N 114.146 -1.388 . . . . 0.69 107.757 174.274 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.455 ' O ' ' HE3' ' A' ' 27' ' ' LYS . 11.3 pt-20 -87.2 -9.04 56.18 Favored 'General case' 0 C--N 1.297 -1.685 0 CA-C-N 114.045 -1.434 . . . . 2.34 113.806 -175.562 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.531 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 24.5 t70 -89.65 -18.5 26.37 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 107.519 -1.289 . . . . 0.69 107.519 178.581 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.729 HG13 HG11 ' A' ' 69' ' ' VAL . 53.0 t -81.2 81.14 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.432 -1.348 0 CA-C-N 113.475 -1.693 . . . . 0.4 108.271 178.17 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.455 ' HE3' ' O ' ' A' ' 24' ' ' GLU . 34.0 mmtp -92.09 -122.63 0.08 Allowed 'General case' 0 C--N 1.297 -1.702 0 CA-C-N 113.525 -1.67 . . . . 1.67 109.744 178.385 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.61 ' HA ' HG23 ' A' ' 69' ' ' VAL . 5.7 tt -134.89 -23.33 1.56 Allowed 'General case' 0 C--N 1.314 -0.951 0 C-N-CA 118.431 -1.307 . . . . 1.08 111.846 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -90.84 -3.53 57.3 Favored 'General case' 0 C--N 1.307 -1.263 0 CA-C-O 122.507 1.146 . . . . 2.11 109.126 -179.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.671 ' O ' HG22 ' A' ' 69' ' ' VAL . 41.1 mmtm -82.57 120.82 26.01 Favored 'General case' 0 C--N 1.298 -1.637 0 CA-C-N 114.461 -1.245 . . . . 1.02 112.085 -172.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.747 ' HA ' ' HA ' ' A' ' 68' ' ' THR . 7.3 m -85.05 120.02 26.09 Favored 'General case' 0 N--CA 1.398 -3.069 0 N-CA-C 107.569 -1.271 . . . . 1.16 107.569 175.704 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.779 ' HA ' HD12 ' A' ' 36' ' ' LEU . 68.9 m-85 -32.81 -91.74 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 114.554 1.316 . . . . 0.36 114.554 174.072 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.683 HG23 ' HB ' ' A' ' 38' ' ' VAL . 0.7 OUTLIER -81.68 60.65 4.72 Favored 'General case' 0 C--N 1.284 -2.247 0 N-CA-C 113.575 0.954 . . . . 0.47 113.575 177.394 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.664 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 23.0 t70 -169.14 -49.15 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.496 0 CA-C-O 120.993 0.425 . . . . 0.73 110.394 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -95.36 -51.77 4.44 Favored 'General case' 0 N--CA 1.482 1.157 0 N-CA-C 109.179 -0.674 . . . . 1.46 109.179 175.276 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.779 HD12 ' HA ' ' A' ' 32' ' ' PHE . 80.6 mt -72.34 -51.72 19.36 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 115.328 -0.851 . . . . 0.58 110.118 -177.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.3 t70 80.51 95.79 0.05 Allowed 'General case' 0 CA--C 1.504 -0.813 0 C-N-CA 126.254 1.822 . . . . 1.14 109.467 -176.63 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.683 ' HB ' HG23 ' A' ' 33' ' ' THR . 93.9 t -98.42 -90.88 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.298 -1.65 0 CA-C-N 114.577 -1.192 . . . . 1.79 110.141 -173.415 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.585 ' HB3' ' HB2' ' A' ' 42' ' ' SER . 18.3 t70 174.22 -175.01 0.07 Allowed 'General case' 0 C--N 1.298 -1.663 0 N-CA-C 105.67 -1.974 . . . . 0.79 105.67 -177.596 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.431 ' H ' ' CG ' ' A' ' 39' ' ' ASP . 4.7 t -94.65 -49.69 5.51 Favored 'General case' 0 C--N 1.272 -2.793 0 N-CA-C 107.557 -1.275 . . . . 1.23 107.557 -174.137 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 80.9 mt -86.42 -34.2 20.22 Favored 'General case' 0 C--N 1.292 -1.906 0 CA-C-N 113.722 -1.581 . . . . 1.02 109.972 -173.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.651 ' HB3' HG22 ' A' ' 18' ' ' ILE . 22.1 m -67.7 -25.3 65.61 Favored 'General case' 0 N--CA 1.438 -1.042 0 CA-C-N 115.316 -0.857 . . . . 1.02 109.587 179.211 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.653 ' HG2' H43A ' A' ' 101' ' ' SHW . 26.9 tpp -59.94 -47.05 87.38 Favored 'General case' 0 N--CA 1.44 -0.955 0 CA-C-N 115.604 -0.726 . . . . 0.55 110.571 177.692 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 41.5 t -71.11 -26.98 28.21 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-N 115.706 -0.679 . . . . 0.56 110.4 -177.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.533 ' HB2' HG21 ' A' ' 18' ' ' ILE . 54.6 mm-40 -71.29 -39.12 71.69 Favored 'General case' 0 N--CA 1.431 -1.395 0 N-CA-C 109.501 -0.555 . . . . 2.08 109.501 178.078 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 42' ' ' SER . 77.7 t -55.43 -51.47 56.69 Favored 'Isoleucine or valine' 0 C--O 1.21 -1.016 0 N-CA-C 108.785 -0.82 . . . . 0.52 108.785 175.261 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.587 HG22 ' H7 ' ' A' ' 101' ' ' SHW . 64.5 t -57.52 -64.47 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.621 0 O-C-N 123.635 0.585 . . . . 0.38 111.159 179.784 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 93.7 t -52.58 -50.56 39.81 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.855 0 N-CA-C 112.401 0.519 . . . . 0.58 112.401 -179.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.76 -26.32 66.06 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 117.875 0.307 . . . . 0.42 111.705 -178.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . 0.415 ' O ' ' HD1' ' A' ' 54' ' ' PHE . . . -65.39 -35.86 82.23 Favored 'General case' 0 C--O 1.204 -1.316 0 N-CA-C 108.741 -0.837 . . . . 0.38 108.741 178.038 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . 0.253 48.0 mm-40 -58.04 -27.09 63.27 Favored 'General case' 0 N--CA 1.404 -2.731 0 N-CA-C 116.942 2.201 . . . . 1.36 116.942 175.403 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -82.85 -19.76 36.92 Favored 'General case' 0 C--N 1.306 -1.313 0 CA-C-O 122.085 0.945 . . . . 2.09 109.084 176.205 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 -88.61 -52.61 5.06 Favored 'General case' 0 C--N 1.312 -1.048 0 CA-C-N 115.271 -0.877 . . . . 2.75 110.438 -178.304 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.632 ' HE2' ' HA ' ' A' ' 7' ' ' ILE . 75.6 m-85 -91.34 -38.41 12.64 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 123.952 0.901 . . . . 0.73 112.801 -172.392 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.2 t70 71.65 26.78 3.05 Favored 'General case' 0 N--CA 1.499 1.99 0 C-N-CA 123.674 0.79 . . . . 2.02 111.694 174.329 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.432 ' HB ' ' HB3' ' A' ' 79' ' ' HIS . 19.8 m -104.65 3.15 10.53 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.024 0 N-CA-C 114.11 1.152 . . . . 1.61 114.11 -171.691 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . 0.259 14.2 mmmm 54.78 86.92 0.05 OUTLIER 'General case' 0 C--N 1.294 -1.813 0 C-N-CA 126.765 2.026 . . . . 1.67 113.572 -177.189 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.808 HG22 HG23 ' A' ' 63' ' ' VAL . 8.4 mt -114.81 101.26 54.37 Favored Pre-proline 0 C--N 1.296 -1.722 0 N-CA-C 106.828 -1.545 . . . . 0.49 106.828 178.796 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.463 ' HD2' ' HB2' ' A' ' 62' ' ' ASP . 56.6 Cg_endo -84.9 156.7 11.61 Favored 'Trans proline' 0 N--CA 1.442 -1.52 0 C-N-CA 121.305 1.337 . . . . 0.62 110.305 175.305 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.651 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 3.8 p30 -43.44 -37.63 2.45 Favored 'General case' 0 N--CA 1.485 1.286 0 C-N-CA 123.442 0.697 . . . . 2.0 112.805 176.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -63.13 -44.15 96.4 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 112.523 0.564 . . . . 2.09 112.523 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.463 ' HB2' ' HD2' ' A' ' 59' ' ' PRO . 0.9 OUTLIER -72.5 -32.48 66.2 Favored 'General case' 0 CA--C 1.49 -1.364 0 CA-C-O 121.61 0.719 . . . . 1.58 109.775 179.052 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.808 HG23 HG22 ' A' ' 58' ' ' ILE . 2.9 t -60.2 -25.56 33.88 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.81 0 CA-C-N 114.248 -1.342 . . . . 0.69 111.432 174.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.651 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 95.1 mttt -76.79 -0.05 22.42 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-O 121.36 0.6 . . . . 2.44 111.878 178.466 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 47.7 m-80 -116.1 10.71 15.08 Favored 'General case' 0 C--N 1.303 -1.415 0 N-CA-C 106.972 -1.492 . . . . 1.94 106.972 -179.126 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.65 HD13 ' HA ' ' A' ' 72' ' ' ALA . 53.4 mt -120.33 158.96 25.99 Favored 'General case' 0 N--CA 1.402 -2.874 0 N-CA-C 103.853 -2.647 . . . . 1.67 103.853 175.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.518 ' HD2' ' OD2' ' A' ' 71' ' ' ASP 0.338 0.0 OUTLIER -154.61 -22.55 0.12 Allowed 'General case' 0 C--N 1.285 -2.222 0 N-CA-C 113.93 1.085 . . . . 3.18 113.93 176.757 . . . . . . . . 4 4 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.747 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 77.4 p -113.15 176.28 5.09 Favored 'General case' 0 N--CA 1.432 -1.345 0 C-N-CA 119.22 -0.992 . . . . 0.51 110.974 172.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.729 HG11 HG13 ' A' ' 26' ' ' VAL . 2.4 m -67.87 -27.63 38.49 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.133 0 CA-C-N 114.537 -1.211 . . . . 0.35 109.723 170.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -70.41 -43.1 63.13 Favored Glycine 0 N--CA 1.429 -1.809 0 CA-C-N 115.111 -0.95 . . . . 0.3 110.913 176.079 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.518 ' OD2' ' HD2' ' A' ' 67' ' ' LYS . 18.1 m-20 -61.17 -46.71 89.4 Favored 'General case' 0 CA--C 1.493 -1.231 0 C-N-CA 122.367 0.267 . . . . 1.79 111.131 178.575 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.65 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -54.38 -59.48 4.62 Favored 'General case' 0 C--O 1.222 -0.393 0 N-CA-C 109.173 -0.677 . . . . 0.29 109.173 178.016 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.583 ' HA ' HG21 ' A' ' 7' ' ' ILE . 90.0 m -48.86 -48.55 41.88 Favored 'General case' 0 C--O 1.207 -1.14 0 C-N-CA 124.122 0.969 . . . . 0.31 113.15 173.69 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 63.3 tttm -58.57 -37.27 75.39 Favored 'General case' 0 C--N 1.314 -0.958 0 C-N-CA 123.154 0.581 . . . . 2.93 111.187 -179.223 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.52 ' HB2' HD21 ' A' ' 66' ' ' LEU . 89.9 t80 -74.9 -44.08 50.76 Favored 'General case' 0 N--CA 1.44 -0.927 0 N-CA-C 108.855 -0.795 . . . . 0.53 108.855 179.435 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.484 HG21 ' CD2' ' A' ' 54' ' ' PHE . 88.7 mt -63.75 -46.1 95.45 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.626 0 CA-C-N 115.212 -0.904 . . . . 0.27 110.648 -179.677 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.52 ' HA ' HE21 ' A' ' 80' ' ' GLN . 17.9 tp -61.96 -29.37 70.19 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-O 121.617 0.722 . . . . 1.15 110.818 178.668 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -79.79 -43.07 23.15 Favored 'General case' 0 C--N 1.293 -1.883 0 CA-C-N 115.363 -0.835 . . . . 0.67 110.173 -178.268 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . 0.432 ' HB3' ' HB ' ' A' ' 56' ' ' VAL . 0.1 OUTLIER -71.65 -52.18 19.3 Favored 'General case' 0 C--N 1.297 -1.708 0 CA-C-N 114.537 -1.21 . . . . 1.53 111.849 179.503 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.52 HE21 ' HA ' ' A' ' 77' ' ' LEU . 63.1 mm-40 30.6 112.01 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 118.769 2.877 . . . . 0.89 118.769 179.396 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.407 -2.577 0 N-CA-C 106.74 -1.578 . . . . 2.36 106.74 176.087 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' SHW . . . . . 0.653 H43A ' HG2' ' A' ' 43' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.512 ' HA ' ' HG3' ' A' ' 80' ' ' GLN . . . . . . . . 0 N--CA 1.447 -0.624 0 N-CA-C 109.075 -0.713 . . . . 2.05 109.075 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -127.11 167.22 16.28 Favored 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 106.365 -1.717 . . . . 1.02 106.365 178.321 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.547 ' O ' HG13 ' A' ' 7' ' ' ILE . 63.6 p -74.73 128.68 36.15 Favored 'General case' 0 C--N 1.3 -1.572 0 N-CA-C 107.939 -1.134 . . . . 1.05 107.939 179.794 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.427 ' HA ' HD12 ' A' ' 7' ' ' ILE . 25.6 mt-30 -51.65 -31.82 27.07 Favored 'General case' 0 N--CA 1.483 1.208 0 N-CA-C 112.31 0.485 . . . . 1.25 112.31 -174.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 19.9 mp0 -70.71 -37.34 73.55 Favored 'General case' 0 C--N 1.308 -1.222 0 CA-C-N 115.572 -0.74 . . . . 2.3 109.542 -176.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -70.39 -33.64 71.64 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 121.541 0.686 . . . . 1.92 109.402 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.547 HG13 ' O ' ' A' ' 3' ' ' THR . 29.3 mt -66.47 -55.9 16.57 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.131 0 CA-C-N 114.629 -1.168 . . . . 0.29 108.1 177.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.444 HG21 HD11 ' A' ' 28' ' ' LEU . 53.4 t -55.65 -39.46 55.03 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.712 0 CA-C-N 115.859 -0.609 . . . . 0.32 111.4 177.096 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.86 -37.97 86.5 Favored 'General case' 0 C--O 1.242 0.69 0 C-N-CA 122.824 0.45 . . . . 0.32 110.889 177.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -67.32 -43.78 87.21 Favored Glycine 0 CA--C 1.496 -1.112 0 N-CA-C 110.533 -1.027 . . . . 0.31 110.533 177.047 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.47 ' O ' HG23 ' A' ' 15' ' ' VAL . 96.4 mt -59.42 -50.46 73.88 Favored 'General case' 0 C--N 1.314 -0.939 0 N-CA-C 109.637 -0.505 . . . . 0.29 109.637 177.159 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.44 ' HB1' ' HA ' ' A' ' 23' ' ' VAL . . . -53.7 -43.7 69.18 Favored 'General case' 0 C--N 1.316 -0.888 0 C-N-CA 124.733 1.213 . . . . 0.24 112.476 -178.581 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -67.31 -42.96 82.82 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 119.732 -0.787 . . . . 1.46 112.099 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 93.9 mt -60.93 -49.23 85.52 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.98 0 CA-C-O 121.374 0.607 . . . . 0.41 109.666 176.293 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 11' ' ' LEU . 91.1 t -58.9 -46.61 91.2 Favored 'Isoleucine or valine' 0 C--O 1.203 -1.387 0 CA-C-N 115.427 -0.806 . . . . 0.29 110.268 178.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -64.79 -31.98 73.46 Favored 'General case' 0 C--N 1.297 -1.692 0 O-C-N 122.002 -0.436 . . . . 0.64 111.67 -179.315 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -72.16 -51.63 20.4 Favored 'General case' 0 C--N 1.304 -1.375 0 CA-C-N 115.822 -0.626 . . . . 2.0 111.067 179.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.698 HG21 ' HB2' ' A' ' 45' ' ' GLU . 75.9 mt -88.9 -54.22 8.16 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 CA-C-O 121.45 0.643 . . . . 0.28 111.913 -174.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.608 ' HB1' HG21 ' A' ' 38' ' ' VAL . . . -76.59 -40.32 49.88 Favored 'General case' 0 C--N 1.307 -1.266 0 CA-C-N 115.496 -0.775 . . . . 0.34 109.775 -176.783 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 89.78 21.42 39.88 Favored Glycine 0 C--O 1.214 -1.116 0 CA-C-N 115.613 -0.722 . . . . 0.46 111.432 -179.241 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . 0.525 HG21 HD22 ' A' ' 36' ' ' LEU . 48.8 mm -96.06 130.95 29.88 Favored Pre-proline 0 C--N 1.307 -1.253 0 N-CA-C 109.212 -0.662 . . . . 0.42 109.212 -178.412 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.497 ' HD2' ' HA ' ' A' ' 21' ' ' ILE . 12.9 Cg_exo -31.39 125.51 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 1 C-N-CA 125.866 4.377 . . . . 0.41 114.926 174.939 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.44 ' HA ' ' HB1' ' A' ' 12' ' ' ALA . 89.2 t -59.55 -32.69 49.6 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 CA-C-N 113.943 -1.481 . . . . 0.69 108.788 179.112 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -89.74 -14.38 34.76 Favored 'General case' 0 N--CA 1.425 -1.691 0 N-CA-C 113.378 0.881 . . . . 2.34 113.378 -177.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.474 ' HB2' ' HB2' ' A' ' 22' ' ' PRO . 10.3 t70 -86.39 -19.09 30.23 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-O 122.271 1.034 . . . . 0.69 108.474 -179.016 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.729 HG13 HG11 ' A' ' 69' ' ' VAL . 32.3 t -72.5 86.09 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.915 0 CA-C-N 113.905 -1.498 . . . . 0.4 108.322 172.227 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -96.02 -122.11 0.11 Allowed 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 113.846 -1.524 . . . . 1.67 109.322 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.642 ' HA ' HG23 ' A' ' 69' ' ' VAL . 8.2 mp -129.11 -31.22 2.13 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 113.459 0.911 . . . . 1.08 113.459 176.652 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -82.49 -6.95 59.62 Favored 'General case' 0 N--CA 1.484 1.274 0 CA-C-O 122.795 1.283 . . . . 2.11 109.378 -177.293 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.632 ' O ' HG22 ' A' ' 69' ' ' VAL . 39.5 mmtm -78.05 105.16 9.08 Favored 'General case' 0 C--N 1.295 -1.783 0 CA-C-N 113.902 -1.499 . . . . 1.02 112.42 -174.569 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.591 ' HB2' ' HB3' ' A' ' 34' ' ' ASP . 17.7 m -72.15 115.67 11.65 Favored 'General case' 0 N--CA 1.398 -3.037 0 N-CA-C 107.372 -1.344 . . . . 1.16 107.372 170.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.8 ' HA ' HD12 ' A' ' 36' ' ' LEU . 96.6 m-85 -35.18 -84.5 0.0 OUTLIER 'General case' 0 C--N 1.312 -1.061 0 N-CA-C 114.149 1.166 . . . . 0.36 114.149 176.537 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.554 HG23 ' HE3' ' A' ' 43' ' ' MET . 0.0 OUTLIER -83.34 45.54 1.05 Allowed 'General case' 0 C--N 1.295 -1.801 0 N-CA-C 113.831 1.049 . . . . 0.47 113.831 -179.824 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.591 ' HB3' ' HB2' ' A' ' 31' ' ' SER . 7.1 t70 -153.99 -63.65 0.14 Allowed 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.926 -0.579 . . . . 0.73 110.491 179.208 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.538 ' OD2' ' HD3' ' A' ' 30' ' ' LYS . 6.8 t70 -88.83 -43.95 10.85 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.331 -0.618 . . . . 1.46 109.331 -174.765 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.8 HD12 ' HA ' ' A' ' 32' ' ' PHE . 96.1 mt -71.06 -54.39 11.34 Favored 'General case' 0 CA--C 1.511 -0.529 0 N-CA-C 106.555 -1.646 . . . . 0.58 106.555 172.707 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.8 t70 72.93 86.07 0.11 Allowed 'General case' 0 CA--C 1.509 -0.607 0 CA-C-N 113.956 -1.474 . . . . 1.14 112.16 173.682 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.662 HG13 ' H ' ' A' ' 39' ' ' ASP . 3.2 p -112.3 -89.95 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.433 -1.324 0 N-CA-C 113.818 1.044 . . . . 1.79 113.818 176.695 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.662 ' H ' HG13 ' A' ' 38' ' ' VAL . 10.7 t70 -159.34 172.75 17.41 Favored 'General case' 0 CA--C 1.512 -0.502 0 N-CA-C 108.786 -0.82 . . . . 0.79 108.786 -174.267 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 27.4 t -84.39 -53.82 5.19 Favored 'General case' 0 C--N 1.28 -2.442 0 C-N-CA 125.177 1.391 . . . . 1.23 111.037 -172.239 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.402 ' O ' ' HG2' ' A' ' 45' ' ' GLU . 48.9 mt -73.65 -28.12 61.61 Favored 'General case' 0 CA--C 1.492 -1.273 0 C-N-CA 120.425 -0.51 . . . . 1.02 109.843 -173.817 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.565 ' O ' HG23 ' A' ' 46' ' ' VAL . 17.1 m -68.9 -28.17 66.44 Favored 'General case' 0 N--CA 1.424 -1.745 0 CA-C-N 115.015 -0.993 . . . . 1.02 108.969 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.554 ' HE3' HG23 ' A' ' 33' ' ' THR . 23.9 tpp -71.01 -40.64 71.67 Favored 'General case' 0 N--CA 1.429 -1.508 0 CA-C-N 115.661 -0.699 . . . . 0.55 110.473 -177.526 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.42 ' O ' HG23 ' A' ' 48' ' ' VAL . 45.0 t -68.31 -37.1 77.46 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.981 0 N-CA-C 109.074 -0.713 . . . . 0.56 109.074 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.698 ' HB2' HG21 ' A' ' 18' ' ' ILE . 70.3 mm-40 -64.7 -36.55 84.65 Favored 'General case' 0 N--CA 1.44 -0.948 0 CA-C-N 116.265 -0.425 . . . . 2.08 110.178 177.563 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 42' ' ' SER . 75.6 t -60.6 -48.49 88.37 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.623 0 N-CA-C 109.201 -0.666 . . . . 0.52 109.201 176.413 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 43' ' ' MET . 63.3 t -50.45 -63.46 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 O-C-N 123.935 0.772 . . . . 0.38 109.315 176.475 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 44' ' ' VAL . 57.3 t -47.77 -54.04 4.11 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.049 0 CA-C-N 115.216 -0.902 . . . . 0.58 111.569 178.133 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.92 -35.45 80.72 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.628 0.603 . . . . 0.42 112.628 -177.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ALA . . . . . . . . . . . . . . . -62.04 -39.84 93.72 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.817 0.342 . . . . 0.38 110.627 179.451 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.662 ' HG2' ' H ' ' A' ' 58' ' ' ILE . 40.8 mt-10 -61.38 -36.5 80.44 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 122.025 0.917 . . . . 1.36 110.425 178.752 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 18.3 tp10 -77.75 -38.32 47.24 Favored 'General case' 0 C--N 1.305 -1.365 0 CA-C-N 114.665 -1.152 . . . . 2.09 110.651 -178.562 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 32.4 tpt180 -80.79 -38.27 28.75 Favored 'General case' 0 C--N 1.312 -1.039 0 N-CA-C 112.428 0.529 . . . . 2.75 112.428 -173.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.513 ' CD2' HG21 ' A' ' 76' ' ' ILE . 33.1 m-85 -98.85 -7.25 27.64 Favored 'General case' 0 C--N 1.307 -1.267 0 N-CA-C 112.343 0.498 . . . . 0.73 112.343 -175.206 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 67.5 15.63 9.85 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 123.911 0.884 . . . . 2.02 112.32 -178.368 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.568 ' O ' ' HA ' ' A' ' 51' ' ' GLU . 6.9 p -118.87 120.69 64.83 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.428 0 N-CA-C 109.088 -0.708 . . . . 1.61 109.088 179.098 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.427 ' HD2' ' HB3' ' A' ' 51' ' ' GLU . 3.5 mmmp? -74.21 97.92 3.07 Favored 'General case' 0 C--N 1.291 -1.947 0 CA-C-N 115.008 -0.996 . . . . 1.67 110.488 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.662 ' H ' ' HG2' ' A' ' 51' ' ' GLU . 17.7 mt -98.26 98.51 5.8 Favored Pre-proline 0 C--N 1.296 -1.754 0 N-CA-C 105.831 -1.914 . . . . 0.49 105.831 173.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -68.0 141.16 52.29 Favored 'Trans proline' 0 N--CA 1.444 -1.407 0 C-N-CA 121.618 1.545 . . . . 0.62 112.942 -173.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.513 ' O ' HG12 ' A' ' 63' ' ' VAL . 1.1 m-20 -41.13 -35.33 0.56 Allowed 'General case' 0 C--O 1.211 -0.97 0 C-N-CA 126.754 2.022 . . . . 2.0 112.824 176.771 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -75.11 -42.75 55.79 Favored 'General case' 0 C--N 1.307 -1.266 0 N-CA-C 111.978 0.362 . . . . 2.09 111.978 179.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -87.03 -22.69 25.32 Favored 'General case' 0 CA--C 1.508 -0.639 0 CA-C-O 121.224 0.535 . . . . 1.58 110.677 -174.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.87 HG22 ' H4 ' ' A' ' 101' ' ' SHW . 4.0 p -63.58 -23.23 32.8 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.024 0 CA-C-N 115.423 -0.808 . . . . 0.69 109.907 -179.79 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.44 ' HG3' ' O ' ' A' ' 60' ' ' ASP . 90.0 mttt -72.1 -6.26 41.22 Favored 'General case' 0 N--CA 1.445 -0.698 0 CA-C-N 115.431 -0.804 . . . . 2.44 111.322 -179.121 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 49.1 m-80 -88.59 -22.36 23.55 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.526 -0.546 . . . . 1.94 109.526 176.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.859 HD13 ' HA ' ' A' ' 72' ' ' ALA . 60.2 mt -68.2 -68.33 0.4 Allowed 'General case' 0 C--O 1.239 0.546 0 O-C-N 123.322 0.389 . . . . 1.67 110.355 -175.217 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 29.0 mmtp 75.59 -44.92 0.53 Allowed 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.339 1.056 . . . . 3.18 113.491 177.172 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.415 ' HA ' ' HA ' ' A' ' 31' ' ' SER . 29.8 p -111.97 156.94 21.32 Favored 'General case' 0 N--CA 1.392 -3.359 0 CA-C-O 121.587 0.708 . . . . 0.51 112.316 -175.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.729 HG11 HG13 ' A' ' 26' ' ' VAL . 2.9 m -62.37 -27.86 43.5 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.861 0 CA-C-N 114.174 -1.376 . . . . 0.35 111.568 175.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -77.81 -38.54 27.04 Favored Glycine 0 N--CA 1.434 -1.437 0 C-N-CA 120.862 -0.685 . . . . 0.3 111.855 177.621 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.477 ' OD1' ' HA ' ' A' ' 66' ' ' LEU . 8.4 t70 -76.99 -30.19 55.82 Favored 'General case' 0 CA--C 1.512 -0.505 0 N-CA-C 109.529 -0.545 . . . . 1.79 109.529 -177.661 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.859 ' HA ' HD13 ' A' ' 66' ' ' LEU . . . -56.82 -56.49 20.87 Favored 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 107.997 -1.112 . . . . 0.29 107.997 173.405 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.516 ' HA ' HG21 ' A' ' 7' ' ' ILE . 86.5 m -48.39 -53.99 15.64 Favored 'General case' 0 C--O 1.176 -2.768 0 CA-C-N 115.173 -0.921 . . . . 0.31 111.228 169.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 58.5 tptt -48.85 -35.15 13.96 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.637 0.775 . . . . 2.93 112.206 178.341 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.407 ' CE1' HG12 ' A' ' 58' ' ' ILE . 36.4 t80 -72.75 -55.51 6.64 Favored 'General case' 0 C--O 1.212 -0.889 0 N-CA-C 108.112 -1.07 . . . . 0.53 108.112 178.572 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.531 HG22 ' NE2' ' A' ' 80' ' ' GLN . 68.0 mt -59.94 -50.15 81.23 Favored 'Isoleucine or valine' 0 C--O 1.198 -1.65 0 C-N-CA 124.69 1.196 . . . . 0.27 111.131 -178.002 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 58.3 tp -48.45 -36.65 15.37 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.4 1.48 . . . . 1.15 110.894 178.459 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -88.31 -52.44 5.21 Favored 'General case' 0 C--N 1.3 -1.557 0 CA-C-N 115.134 -0.939 . . . . 0.67 111.025 -179.456 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 28.9 m-70 -78.8 5.92 10.24 Favored 'General case' 0 C--N 1.306 -1.295 0 C-N-CA 125.689 1.596 . . . . 1.53 114.298 -173.037 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLN . . . . . 0.531 ' NE2' HG22 ' A' ' 76' ' ' ILE . 77.8 mm-40 -31.98 112.06 0.1 Allowed 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 115.599 1.703 . . . . 0.89 115.599 -179.618 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.198 0 C-N-CA 126.628 1.971 . . . . 2.36 114.554 173.124 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' SHW . . . . . 0.87 ' H4 ' HG22 ' A' ' 63' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_